Research Groups

 

Publications of Xinlai Cheng (Results: 446)

 

Discovery of the sEH Inhibitor Epoxykynin as a Potent Kynurenine Pathway Modulator.
Journal of medicinal chemistry
Dötsch L, Davies C, Hennes E, Schönfeld J, Kumar A, Guita CDCL, Ehrler JHM, Hiesinger K, Thavam S, Janning P, Sievers S, Knapp S, Proschak E, Ziegler S, Waldmann H PubMed
Mar 2024 Volume: 67 Issue: 6 Pages: 4691-4706

Development of Selective Pyrido[2,3-]pyrimidin-7(8)-one-Based Mammalian STE20-Like (MST3/4) Kinase Inhibitors.
Journal of medicinal chemistry
Rak M, Menge A, Tesch R, Berger LM, Balourdas DI, Shevchenko E, Krämer A, Elson L, Berger BT, Abdi I, Wahl LM, Poso A, Kaiser A, Hanke T, Kronenberger T, Joerger AC, Müller S, Knapp S PubMed
Mar 2024 Volume: 67 Issue: 5 Pages: 3813-3842

Back-pocket optimization of 2-aminopyrimidine-based macrocycles leads to potent dual EPHA2/GAK kinase inhibitors with antiviral activity.
bioRxiv : the preprint server for biology
Gerninghaus J, Zhubi R, Krämer A, Karim M, Tran DHN, Joerger AC, Schreiber C, Berger LM, Berger BT, Ehret TAL, Elson L, Lenz C, Saxena K, Müller S, Einav S, Knapp S, Hanke T PubMed
Feb 2024 Volume: Issue: Pages:

The catalytic domain of free or ligand bound histone deacetylase 4 occurs in solution predominantly in closed conformation.
Protein science : a publication of the Protein Society
Schweipert M, Nehls T, Frühauf A, Debarnot C, Kumar A, Knapp S, Lermyte F, Meyer-Almes FJ PubMed
Mar 2024 Volume: 33 Issue: 3 Pages: e4917

Discovery of a Small Molecule Activator of Slack (Kcnt1) Potassium Channels That Significantly Reduces Scratching in Mouse Models of Histamine-Independent and Chronic Itch.
Advanced science (Weinheim, Baden-Wurttemberg, Germany)
Balzulat A, Zhu WF, Flauaus C, Hernandez-Olmos V, Heering J, Sethumadhavan S, Dubiel M, Frank A, Menge A, Hebchen M, Metzner K, Lu R, Lukowski R, Ruth P, Knapp S, Müller S, Steinhilber D, Hänelt I, Stark H, Proschak E, Schmidtko A PubMed
Feb 2024 Volume: Issue: Pages: e2307237

Synthesis and biological evaluation of 1H-pyrrolo[3,2-g]isoquinolines.
Bioorganic & medicinal chemistry
Defois M, Josselin B, Brindeau P, Krämer A, Knapp S, Anizon F, Giraud F, Ruchaud S, Moreau P PubMed
Feb 2024 Volume: 100 Issue: Pages: 117619

Photosensitization enables Pauson-Khand-type reactions with nitrenes.
Science (New York, N.Y.)
Li F, Zhu WF, Empel C, Datsenko O, Kumar A, Xu Y, Ehrler JHM, Atodiresei I, Knapp S, Mykhailiuk PK, Proschak E, Koenigs RM PubMed
Feb 2024 Volume: 383 Issue: 6682 Pages: 498-503

Development of Potent Dual BET/HDAC Inhibitors via Pharmacophore Merging and Structure-Guided Optimization.
ACS chemical biology
Bauer N, Balourdas DI, Schneider JR, Zhang X, Berger LM, Berger BT, Schwalm MP, Klopp NA, Siveke JT, Knapp S, Joerger AC PubMed
Feb 2024 Volume: 19 Issue: 2 Pages: 266-279

Structure-Guided Design of a Highly Potent Partial RXR Agonist with Superior Physicochemical Properties.
Journal of medicinal chemistry
Lewandowski M, Carmina M, Knümann L, Sai M, Willems S, Kasch T, Pollinger J, Knapp S, Marschner JA, Chaikuad A, Merk D PubMed
Feb 2024 Volume: 67 Issue: 3 Pages: 2152-2164

Synthesis of Pyrazole-Based Macrocycles Leads to a Highly Selective Inhibitor for MST3.
Journal of medicinal chemistry
Amrhein JA, Berger LM, Balourdas DI, Joerger AC, Menge A, Krämer A, Frischkorn JM, Berger BT, Elson L, Kaiser A, Schubert-Zsilavecz M, Müller S, Knapp S, Hanke T PubMed
Jan 2024 Volume: 67 Issue: 1 Pages: 674-690

Synthesis and Biological Evaluation of 2-Substituted Quinazolin-4(3)-Ones with Antiproliferative Activities.
Molecules (Basel, Switzerland)
Karelou M, Kampasis D, Kalampaliki AD, Persoons L, Krämer A, Schols D, Knapp S, De Jonghe S, Kostakis IK PubMed
Dec 2023 Volume: 28 Issue: 23 Pages:

Chemical, Biochemical, Cellular, and Physiological Characterization of Leucettinib-21, a Down Syndrome and Alzheimer's Disease Drug Candidate.
Journal of medicinal chemistry
Lindberg MF, Deau E, Miege F, Greverie M, Roche D, George N, George P, Merlet L, Gavard J, Brugman SJT, Aret E, Tinnemans P, de Gelder R, Sadownik J, Verhofstad E, Sleegers D, Santangelo S, Dairou J, Fernandez-Blanco Á, Dierssen M, Krämer A, Knapp S, Meijer L PubMed
Dec 2023 Volume: 66 Issue: 23 Pages: 15648-15670

Death by a thousand cuts through kinase inhibitor combinations that maximize selectivity and enable rational multitargeting.
eLife
Outhwaite IR, Singh S, Berger BT, Knapp S, Chodera JD, Seeliger MA PubMed
Dec 2023 Volume: 12 Issue: Pages:

Inhibition of Parkinson's disease-related LRRK2 by type I and type II kinase inhibitors: Activity and structures.
Science advances
Sanz Murillo M, Villagran Suarez A, Dederer V, Chatterjee D, Alegrio Louro J, Knapp S, Mathea S, Leschziner AE PubMed
Dec 2023 Volume: 9 Issue: 48 Pages: eadk6191

SGC-CLK-1: A chemical probe for the Cdc2-like kinases CLK1, CLK2, and CLK4.
Current research in chemical biology
Tiek D, Wells CI, Schröder M, Song X, Alamillo-Ferrer C, Goenka A, Iglesia R, Lu M, Hu B, Kwarcinski F, Sintha P, de Silva C, Hossain MA, Picado A, Zuercher W, Zutshi R, Knapp S, Riggins RB, Cheng SY, Drewry DH PubMed
2023 Volume: 3 Issue: Pages:

Structure of LRRK1 and mechanisms of autoinhibition and activation.
Nature structural & molecular biology
Reimer JM, Dickey AM, Lin YX, Abrisch RG, Mathea S, Chatterjee D, Fay EJ, Knapp S, Daugherty MD, Reck-Peterson SL, Leschziner AE PubMed
Nov 2023 Volume: 30 Issue: 11 Pages: 1735-1745

Improving data quality in chemical biology.
Nature chemical biology
Knapp S, Müller S PubMed
Nov 2023 Volume: 19 Issue: 11 Pages: 1301-1302

DARPins detect the formation of hetero-tetramers of p63 and p73 in epithelial tissues and in squamous cell carcinoma.
Cell death & disease
Strubel A, Münick P, Hartmann O, Chaikuad A, Dreier B, Schaefer JV, Gebel J, Osterburg C, Tuppi M, Schäfer B, Buck V, Rosenfeldt M, Knapp S, Plückthun A, Diefenbacher ME, Dötsch V PubMed
Oct 2023 Volume: 14 Issue: 10 Pages: 674

Disrupted Binding of Cystathionine γ-Lyase to p53 Promotes Endothelial Senescence.
Circulation research
Hu J, Leisegang MS, Looso M, Drekolia MK, Wittig J, Mettner J, Karantanou C, Kyselova A, Dumbovic G, Li X, Li Y, Guenther S, John D, Siragusa M, Zukunft S, Oo JA, Wittig I, Hille S, Weigert A, Knapp S, Brandes RP, Müller OJ, Papapetropoulos A, Sigala F, Dobreva G, Kojonazarov B, Fleming I, Bibli SI PubMed
Oct 2023 Volume: 133 Issue: 10 Pages: 842-857

A machine learning and live-cell imaging tool kit uncovers small molecules induced phospholipidosis.
Cell chemical biology
Hu H, Tjaden A, Knapp S, Antolin AA, Müller S PubMed
Dec 2023 Volume: 30 Issue: 12 Pages: 1634-1651.e6

Characterization of Cellular Viability Using Label-Free Brightfield Live-Cell Imaging.
Methods in molecular biology (Clifton, N.J.)
Elson L, Tjaden A, Knapp S, Müller S PubMed
2023 Volume: 2706 Issue: Pages: 75-88

Annotation of the Effect of Chemogenomic Compounds on Cell Health Using High-Content Microscopy in Live-Cell Mode.
Methods in molecular biology (Clifton, N.J.)
Tjaden A, Knapp S, Müller S PubMed
2023 Volume: 2706 Issue: Pages: 59-73

Quality Control of Chemogenomic Library Using LC-MS.
Methods in molecular biology (Clifton, N.J.)
Němec V, Knapp S PubMed
2023 Volume: 2706 Issue: Pages: 51-58

5-Iodotubercidin sensitizes cells to RIPK1-dependent necroptosis by interfering with NFκB signaling.
Cell death discovery
Chauhan C, Kraemer A, Knapp S, Windheim M, Kotlyarov A, Menon MB, Gaestel M PubMed
Jul 2023 Volume: 9 Issue: 1 Pages: 262

Colorectal Cancer Organoid-Stroma Biobank Allows Subtype-Specific Assessment of Individualized Therapy Responses.
Cancer discovery
Farin HF, Mosa MH, Ndreshkjana B, Grebbin BM, Ritter B, Menche C, Kennel KB, Ziegler PK, Szabó L, Bollrath J, Rieder D, Michels BE, Kress A, Bozlar M, Darvishi T, Stier S, Kur IM, Bankov K, Kesselring R, Fichtner-Feigl S, Brüne B, Goetze TO, Al-Batran SE, Brandts CH, Bechstein WO, Wild PJ, Weigert A, Müller S, Knapp S, Trajanoski Z, Greten FR PubMed
Oct 2023 Volume: 13 Issue: 10 Pages: 2192-2211

Leucettinibs, a Class of DYRK/CLK Kinase Inhibitors Inspired by the Marine Sponge Natural Product Leucettamine B.
Journal of medicinal chemistry
Deau E, Lindberg MF, Miege F, Roche D, George N, George P, Krämer A, Knapp S, Meijer L PubMed
Aug 2023 Volume: 66 Issue: 15 Pages: 10694-10714

Deciphering the mitophagy receptor network identifies a crucial role for OPTN (optineurin) in acute myeloid leukemia.
Autophagy
Meyer LM, Koschade SE, Vischedyk JB, Thoelken M, Gubas A, Wegner M, Basoglu M, Knapp S, Kaulich M, Eimer S, Shaid S, Brandts CH PubMed
Nov 2023 Volume: 19 Issue: 11 Pages: 2982-2996

Targeting the Alternative Vitamin E Metabolite Binding Site Enables Noncanonical PPARγ Modulation.
Journal of the American Chemical Society
Arifi S, Marschner JA, Pollinger J, Isigkeit L, Heitel P, Kaiser A, Obeser L, Höfner G, Proschak E, Knapp S, Chaikuad A, Heering J, Merk D PubMed
Jul 2023 Volume: 145 Issue: 27 Pages: 14802-14810

Target 2035 - an update on private sector contributions.
RSC medicinal chemistry
Ackloo S, Antolin AA, Bartolome JM, Beck H, Bullock A, Betz UAK, Böttcher J, Brown PJ, Chaturvedi M, Crisp A, Daniels D, Dreher J, Edfeldt K, Edwards AM, Egner U, Elkins J, Fischer C, Glendorf T, Goldberg S, Hartung IV, Hillisch A, Homan E, Knapp S, Köster M, Krämer O, Llaveria J, Lessel U, Lindemann S, Linderoth L, Matsui H, Michel M, Montel F, Mueller-Fahrnow A, Müller S, Owen DR, Saikatendu KS, Santhakumar V, Sanderson W, Scholten C, Schapira M, Sharma S, Shireman B, Sundström M, Todd MH... PubMed
Jun 2023 Volume: 14 Issue: 6 Pages: 1002-1011

Tracking the PROTAC degradation pathway in living cells highlights the importance of ternary complex measurement for PROTAC optimization.
Cell chemical biology
Schwalm MP, Krämer A, Dölle A, Weckesser J, Yu X, Jin J, Saxena K, Knapp S PubMed
Jul 2023 Volume: 30 Issue: 7 Pages: 753-765.e8

Design and Synthesis of Pyrazole-Based Macrocyclic Kinase Inhibitors Targeting BMPR2.
ACS medicinal chemistry letters
Amrhein JA, Wang G, Berger BT, Berger LM, Kalampaliki AD, Krämer A, Knapp S, Hanke T PubMed
Jun 2023 Volume: 14 Issue: 6 Pages: 833-840

Mutation in the Common Docking Domain Affects MAP Kinase ERK2 Catalysis and Stability.
Cancers
Novak L, Petrosino M, Pasquo A, Chaikuad A, Chiaraluce R, Knapp S, Consalvi V PubMed
May 2023 Volume: 15 Issue: 11 Pages:

Structural insights into a regulatory mechanism of FIR RRM1-FUSE interaction.
Open biology
Ni X, Joerger AC, Chaikuad A, Knapp S PubMed
May 2023 Volume: 13 Issue: 5 Pages: 230031

Structure-Based Development of Isoform-Selective Inhibitors of Casein Kinase 1ε vs Casein Kinase 1δ.
Journal of medicinal chemistry
Choi JY, Noguchi Y, Alburger JM, Bayle S, Chung E, Grant W, Chaikuad A, Knapp S, Duckett DR, Roush WR PubMed
Jun 2023 Volume: 66 Issue: 11 Pages: 7162-7178

Shifting the selectivity of pyrido[2,3-d]pyrimidin-7(8H)-one inhibitors towards the salt-inducible kinase (SIK) subfamily.
European journal of medicinal chemistry
Rak M, Tesch R, Berger LM, Shevchenko E, Raab M, Tjaden A, Zhubi R, Balourdas DI, Joerger AC, Poso A, Krämer A, Elson L, Lučić A, Kronenberger T, Hanke T, Strebhardt K, Sanhaji M, Knapp S PubMed
Jun 2023 Volume: 254 Issue: Pages: 115347

Deep Annotation of Donated Chemical Probes (DCP) in Organotypic Human Liver Cultures and Patient-Derived Organoids from Tumor and Normal Colorectum.
ACS chemical biology
Tredup C, Ndreshkjana B, Schneider NS, Tjaden A, Kemas AM, Youhanna S, Lauschke VM, Berger BT, Krämer A, Berger LM, Röhm S, Knapp S, Farin HF, Müller S PubMed
Apr 2023 Volume: 18 Issue: 4 Pages: 822-836

Oxazolo[5,4-f]quinoxaline-type selective inhibitors of glycogen synthase kinase-3α (GSK-3α): Development and impact on temozolomide treatment of glioblastoma cells.
Bioorganic chemistry
Hasyeoui M, Lassagne F, Erb W, Nael M, Elokely KM, Chaikuad A, Knapp S, Jorda A, Vallés SL, Quissac E, Verreault M, Robert T, Bach S, Samarat A, Mongin F PubMed
May 2023 Volume: 134 Issue: Pages: 106456

Design, synthesis and characterisation of a novel type II B-RAF paradox breaker inhibitor.
European journal of medicinal chemistry
Arora R, Linders JTM, Aci-Sèche S, Verheyen T, Van Heerde E, Brehmer D, Chaikuad A, Knapp S, Bonnet P PubMed
Mar 2023 Volume: 250 Issue: Pages: 115231

Chemistry-led investigations into the mode of action of NAMPT activators, resulting in the discovery of non-pyridyl class NAMPT activators.
Acta pharmaceutica Sinica. B
Tang S, Garzon Sanz M, Smith O, Krämer A, Egbase D, Caton PW, Knapp S, Butterworth S PubMed
Feb 2023 Volume: 13 Issue: 2 Pages: 709-721

Toward effective Atg8-based ATTECs: Approaches and perspectives.
Journal of cellular biochemistry
Schwalm MP, Knapp S, Rogov VV PubMed
Feb 2023 Volume: Issue: Pages:

Discovery of potent Plasmodium falciparum protein kinase 6 (PfPK6) inhibitors with a type II inhibitor pharmacophore.
European journal of medicinal chemistry
Ong HW, Truong A, Kwarcinski F, de Silva C, Avalani K, Havener TM, Chirgwin M, Galal KA, Willis C, Krämer A, Liu S, Knapp S, Derbyshire ER, Zutshi R, Drewry DH PubMed
Mar 2023 Volume: 249 Issue: Pages: 115043

Death by a Thousand Cuts â€" Combining Kinase Inhibitors for Selective Target Inhibition and Rational Polypharmacology.
bioRxiv : the preprint server for biology
Outhwaite IR, Singh S, Berger BT, Knapp S, Chodera JD, Seeliger MA PubMed
Jan 2023 Volume: Issue: Pages:

Epigenetic modulation by targeting bromodomain containing protein 9 (BRD9): Its therapeutic potential and selective inhibition.
International journal of biological macromolecules
Ali MM, Naz S, Ashraf S, Knapp S, Ul-Haq Z PubMed
Mar 2023 Volume: 230 Issue: Pages: 123428

Discovery of Potent and Exquisitely Selective Inhibitors of Kinase CK1 with Tunable Isoform Selectivity.
Angewandte Chemie (International ed. in English)
Němec V, Khirsariya P, Janovská P, Moyano PM, Maier L, Procházková P, Kebková P, Gybel' T, Berger BT, Chaikuad A, Reinecke M, Kuster B, Knapp S, Bryja V, Paruch K PubMed
Mar 2023 Volume: 62 Issue: 11 Pages: e202217532

Development of a Potent Cyclic Peptide Inhibitor of the nNOS/PSD-95 Interaction.
Journal of medicinal chemistry
Balboa JR, Essig DJ, Ma S, Karer N, Clemmensen LS, Pedersen SW, Joerger AC, Knapp S, Østergaard S, Strømgaard K PubMed
Jan 2023 Volume: 66 Issue: 1 Pages: 976-990

MSC-1186, a Highly Selective Pan-SRPK Inhibitor Based on an Exceptionally Decorated Benzimidazole-Pyrimidine Core.
Journal of medicinal chemistry
Schröder M, Leiendecker M, Grädler U, Braun J, Blum A, Wanior M, Berger BT, Krämer A, Müller S, Esdar C, Knapp S, Heinrich T PubMed
Jan 2023 Volume: 66 Issue: 1 Pages: 837-854

Discovery of 3-Amino-1-pyrazole-Based Kinase Inhibitors to Illuminate the Understudied PCTAIRE Family.
International journal of molecular sciences
Amrhein JA, Berger LM, Tjaden A, Krämer A, Elson L, Tolvanen T, Martinez-Molina D, Kaiser A, Schubert-Zsilavecz M, Müller S, Knapp S, Hanke T PubMed
Nov 2022 Volume: 23 Issue: 23 Pages:

Macrocyclization of Quinazoline-Based EGFR Inhibitors Leads to Exclusive Mutant Selectivity for EGFR L858R and Del19.
Journal of medicinal chemistry
Amrhein JA, Beyett TS, Feng WW, Krämer A, Weckesser J, Schaeffner IK, Rana JK, Jänne PA, Eck MJ, Knapp S, Hanke T PubMed
Dec 2022 Volume: 65 Issue: 23 Pages: 15679-15697

Comparative structural analyses of the NHL domains from the human E3 ligase TRIM-NHL family.
IUCrJ
Chaikuad A, Zhubi R, Tredup C, Knapp S PubMed
Nov 2022 Volume: 9 Issue: Pt 6 Pages: 720-727

High-content live-cell multiplex screen for chemogenomic compound annotation based on nuclear morphology.
STAR protocols
Tjaden A, Giessmann RT, Knapp S, Schröder M, Müller S PubMed
Dec 2022 Volume: 3 Issue: 4 Pages: 101791

Fragment-based discovery of orphan nuclear receptor Nur77/NGFI-B ligands.
Bioorganic chemistry
Arifi S, Zaienne D, Heering J, Wein T, Zhubi R, Chaikuad A, Knapp S, Marschner JA, Merk D PubMed
Dec 2022 Volume: 129 Issue: Pages: 106164

Development and Characterization of Type I, Type II, and Type III LIM-Kinase Chemical Probes.
Journal of medicinal chemistry
Hanke T, Mathea S, Woortman J, Salah E, Berger BT, Tumber A, Kashima R, Hata A, Kuster B, Müller S, Knapp S PubMed
Oct 2022 Volume: 65 Issue: 19 Pages: 13264-13287

CDK11 regulates pre-mRNA splicing by phosphorylation of SF3B1.
Nature
Hluchý M, Gajdušková P, Ruiz de Los Mozos I, Rájecký M, Kluge M, Berger BT, Slabá Z, Potěšil D, Weiß E, Ule J, Zdráhal Z, Knapp S, Paruch K, Friedel CC, Blazek D PubMed
Sep 2022 Volume: 609 Issue: 7928 Pages: 829-834

Identification of Histone Peptide Binding Specificity and Small-Molecule Ligands for the TRIM33α and TRIM33β Bromodomains.
ACS chemical biology
Sekirnik AR, Reynolds JK, See L, Bluck JP, Scorah AR, Tallant C, Lee B, Leszczynska KB, Grimley RL, Storer RI, Malattia M, Crespillo S, Caria S, Duclos S, Hammond EM, Knapp S, Morris GM, Duarte F, Biggin PC, Conway SJ PubMed
Oct 2022 Volume: 17 Issue: 10 Pages: 2753-2768

PKC isoforms activate LRRK1 kinase by phosphorylating conserved residues (Ser1064, Ser1074 and Thr1075) within the CORB GTPase domain.
The Biochemical journal
Malik AU, Karapetsas A, Nirujogi RS, Chatterjee D, Phung TK, Wightman M, Gourlay R, Morrice N, Mathea S, Knapp S, Alessi DR PubMed
Sep 2022 Volume: 479 Issue: 18 Pages: 1941-1965

PROTAC degraders as chemical probes for studying target biology and target validation.
Chemical Society reviews
Němec V, Schwalm MP, Müller S, Knapp S PubMed
Sep 2022 Volume: 51 Issue: 18 Pages: 7971-7993

Pharmacokinetic Optimization of Small Molecule Janus Kinase 3 Inhibitors to Target Immune Cells.
ACS pharmacology & translational science
Laux J, Forster M, Riexinger L, Schwamborn A, Guezguez J, Pokoj C, Kudolo M, Berger LM, Knapp S, Schollmeyer D, Guse J, Burnet M, Laufer SA PubMed
Aug 2022 Volume: 5 Issue: 8 Pages: 573-602

A Toolbox for the Generation of Chemical Probes for Baculovirus IAP Repeat Containing Proteins.
Frontiers in cell and developmental biology
Schwalm MP, Berger LM, Meuter MN, Vasta JD, Corona CR, Röhm S, Berger BT, Farges F, Beinert SM, Preuss F, Morasch V, Rogov VV, Mathea S, Saxena K, Robers MB, Müller S, Knapp S PubMed
2022 Volume: 10 Issue: Pages: 886537

Designed Ankyrin Repeat Proteins as a tool box for analyzing p63.
Cell death and differentiation
Strubel A, Münick P, Chaikuad A, Dreier B, Schaefer J, Gebel J, Osterburg C, Tuppi M, Schäfer B, Knapp S, Plückthun A, Dötsch V PubMed
Dec 2022 Volume: 29 Issue: 12 Pages: 2445-2458

Author Correction: Tuning microtubule dynamics to enhance cancer therapy by modulating FER-mediated CRMP2 phosphorylation.
Nature communications
Zheng Y, Sethi R, Mangala LS, Taylor C, Goldsmith J, Wang M, Masuda K, Carrami EM, Mannion D, Miranda F, Herrero-Gonzalez S, Hellner K, Chen F, Alsaadi A, Albukhari A, Fotso DC, Yau C, Jiang D, Pradeep S, Rodriguez-Aguayo C, Lopez-Berestein G, Knapp S, Gray NS, Campo L, Myers KA, Dhar S, Ferguson D, Bast RC, Sood AK, von Delft F, Ahmed AA PubMed
Jun 2022 Volume: 13 Issue: 1 Pages: 3352

Illuminating the Dark: Highly Selective Inhibition of Serine/Threonine Kinase 17A with Pyrazolo[1,5-]pyrimidine-Based Macrocycles.
Journal of medicinal chemistry
Kurz CG, Preuss F, Tjaden A, Cusack M, Amrhein JA, Chatterjee D, Mathea S, Berger LM, Berger BT, Krämer A, Weller M, Weiss T, Müller S, Knapp S, Hanke T PubMed
Jun 2022 Volume: 65 Issue: 11 Pages: 7799-7817

Calcium/calmodulin-dependent protein kinase kinase 2 regulates hepatic fuel metabolism.
Molecular metabolism
Stork BA, Dean A, Ortiz AR, Saha P, Putluri N, Planas-Silva MD, Mahmud I, Rajapakshe K, Coarfa C, Knapp S, Lorenzi PL, Kemp BE, Turk BE, Scott JW, Means AR, York B PubMed
Aug 2022 Volume: 62 Issue: Pages: 101513

Enabling pseudokinases as potential drug targets.
Methods in enzymology
Preuss F, Chatterjee D, Dederer V, Knapp S, Mathea S PubMed
2022 Volume: 667 Issue: Pages: 663-683

BET bromodomain inhibitors.
Current opinion in chemical biology
Schwalm MP, Knapp S PubMed
Jun 2022 Volume: 68 Issue: Pages: 102148

Synthesis and biological evaluation of Haspin inhibitors: Kinase inhibitory potency and cellular activity.
European journal of medicinal chemistry
Zeinyeh W, Esvan YJ, Josselin B, Defois M, Baratte B, Knapp S, Chaikuad A, Anizon F, Giraud F, Ruchaud S, Moreau P PubMed
Jun 2022 Volume: 236 Issue: Pages: 114369

Kinase domain autophosphorylation rewires the activity and substrate specificity of CK1 enzymes.
Molecular cell
Cullati SN, Chaikuad A, Chen JS, Gebel J, Tesmer L, Zhubi R, Navarrete-Perea J, Guillen RX, Gygi SP, Hummer G, Dötsch V, Knapp S, Gould KL PubMed
Jun 2022 Volume: 82 Issue: 11 Pages: 2006-2020.e8

Development of novel urea-based ATM kinase inhibitors with subnanomolar cellular potency and high kinome selectivity.
European journal of medicinal chemistry
Dimitrov T, Anli C, Moschopoulou AA, Kronenberger T, Kudolo M, Geibel C, Schwalm MP, Knapp S, Zender L, Forster M, Laufer S PubMed
May 2022 Volume: 235 Issue: Pages: 114234

Resistance to kinase inhibition through shortened target engagement.
Molecular & cellular oncology
Rangwala AM, Berger BT, Robers MB, Knapp S, Seeliger MA PubMed
2022 Volume: 9 Issue: 1 Pages: 2029999

DNA topoisomerase inhibition with the HIF inhibitor acriflavine promotes transcription of lncRNAs in endothelial cells.
Molecular therapy. Nucleic acids
Seredinski S, Boos F, Günther S, Oo JA, Warwick T, Izquierdo Ponce J, Lillich FF, Proschak E, Knapp S, Gilsbach R, Pflüger-Müller B, Brandes RP, Leisegang MS PubMed
Mar 2022 Volume: 27 Issue: Pages: 1023-1035

Pharmacological targeting of MTHFD2 suppresses acute myeloid leukemia by inducing thymidine depletion and replication stress.
Nature cancer
Bonagas N, Gustafsson NMS, Henriksson M, Marttila P, Gustafsson R, Wiita E, Borhade S, Green AC, Vallin KSA, Sarno A, Svensson R, Göktürk C, Pham T, Jemth AS, Loseva O, Cookson V, Kiweler N, Sandberg L, Rasti A, Unterlass JE, Haraldsson M, Andersson Y, Scaletti ER, Bengtsson C, Paulin CBJ, Sanjiv K, Abdurakhmanov E, Pudelko L, Kunz B, Desroses M, Iliev P, Färnegårdh K, Krämer A, Garg N, Michel M, Häggblad S, Jarvius M, Kalderén C, Jensen AB, Almlöf I, Karsten S, Zhang SM, Häggblad M, Er... PubMed
Feb 2022 Volume: 3 Issue: 2 Pages: 156-172

Nanobodies as allosteric modulators of Parkinson's disease-associated LRRK2.
Proceedings of the National Academy of Sciences of the United States of America
Singh RK, Soliman A, Guaitoli G, Störmer E, von Zweydorf F, Dal Maso T, Oun A, Van Rillaer L, Schmidt SH, Chatterjee D, David JA, Pardon E, Schwartz TU, Knapp S, Kennedy EJ, Steyaert J, Herberg FW, Kortholt A, Gloeckner CJ, Versées W PubMed
Mar 2022 Volume: 119 Issue: 9 Pages:

Target 2035 - update on the quest for a probe for every protein.
RSC medicinal chemistry
Müller S, Ackloo S, Al Chawaf A, Al-Lazikani B, Antolin A, Baell JB, Beck H, Beedie S, Betz UAK, Bezerra GA, Brennan PE, Brown D, Brown PJ, Bullock AN, Carter AJ, Chaikuad A, Chaineau M, Ciulli A, Collins I, Dreher J, Drewry D, Edfeldt K, Edwards AM, Egner U, Frye SV, Fuchs SM, Hall MD, Hartung IV, Hillisch A, Hitchcock SH, Homan E, Kannan N, Kiefer JR, Knapp S, Kostic M, Kubicek S, Leach AR, Lindemann S, Marsden BD, Matsui H, Meier JL, Merk D, Michel M, Morgan MR, Mueller-Fahrnow A, Owen DR, P... PubMed
Jan 2022 Volume: 13 Issue: 1 Pages: 13-21

Image-Based Annotation of Chemogenomic Libraries for Phenotypic Screening.
Molecules (Basel, Switzerland)
Tjaden A, Chaikuad A, Kowarz E, Marschalek R, Knapp S, Schröder M, Müller S PubMed
Feb 2022 Volume: 27 Issue: 4 Pages:

LRRK2 dynamics analysis identifies allosteric control of the crosstalk between its catalytic domains.
PLoS biology
Weng JH, Aoto PC, Lorenz R, Wu J, Schmidt SH, Manschwetus JT, Kaila-Sharma P, Silletti S, Mathea S, Chatterjee D, Knapp S, Herberg FW, Taylor SS PubMed
Feb 2022 Volume: 20 Issue: 2 Pages: e3001427

Cascade Synthesis of Kinase-Privileged 3-Aminoindazoles via Intramolecular N-N Bond Formation.
The Journal of organic chemistry
Zhu WF, Krämer A, Knapp S, Proschak E, Hernandez-Olmos V PubMed
Mar 2022 Volume: 87 Issue: 5 Pages: 3856-3862

Development of the First Covalent Monopolar Spindle Kinase 1 (MPS1/TTK) Inhibitor.
Journal of medicinal chemistry
M Serafim RA, da Silva Santiago A, Schwalm MP, Hu Z, Dos Reis CV, Takarada JE, Mezzomo P, Massirer KB, Kudolo M, Gerstenecker S, Chaikuad A, Zender L, Knapp S, Laufer S, Couñago RM, Gehringer M PubMed
Feb 2022 Volume: 65 Issue: 4 Pages: 3173-3192

Aurora Kinase A Is Involved in Controlling the Localization of Aquaporin-2 in Renal Principal Cells.
International journal of molecular sciences
Baltzer S, Bulatov T, Schmied C, Krämer A, Berger BT, Oder A, Walker-Gray R, Kuschke C, Zühlke K, Eichhorst J, Lehmann M, Knapp S, Weston J, von Kries JP, Süssmuth RD, Klussmann E PubMed
Jan 2022 Volume: 23 Issue: 2 Pages:

Structural Aspects of LIMK Regulation and Pharmacology.
Cells
Chatterjee D, Preuss F, Dederer V, Knapp S, Mathea S PubMed
Jan 2022 Volume: 11 Issue: 1 Pages:

Design of a Potent TLX Agonist by Rational Fragment Fusion.
Journal of medicinal chemistry
Faudone G, Zhubi R, Celik F, Knapp S, Chaikuad A, Heering J, Merk D PubMed
Feb 2022 Volume: 65 Issue: 3 Pages: 2288-2296

TDP-43 Modulation by Tau-Tubulin Kinase 1 Inhibitors: A New Avenue for Future Amyotrophic Lateral Sclerosis Therapy.
Journal of medicinal chemistry
Nozal V, Martínez-González L, Gomez-Almeria M, Gonzalo-Consuegra C, Santana P, Chaikuad A, Pérez-Cuevas E, Knapp S, Lietha D, Ramírez D, Petralla S, Monti B, Gil C, Martín-Requero A, Palomo V, de Lago E, Martinez A PubMed
Jan 2022 Volume: 65 Issue: 2 Pages: 1585-1607

Selective BH3 mimetics synergize with BET inhibition to induce mitochondrial apoptosis in rhabdomyosarcoma cells.
Neoplasia (New York, N.Y.)
Erdogdu U, Dolgikh N, Laszig S, Särchen V, Meister MT, Wanior M, Knapp S, Boedicker C PubMed
Feb 2022 Volume: 24 Issue: 2 Pages: 109-119

Closantel is an allosteric inhibitor of human Taspase1.
iScience
Luciano V, Proschak E, Langer JD, Knapp S, Heering J, Marschalek R PubMed
Dec 2021 Volume: 24 Issue: 12 Pages: 103524

The Transcriptional Repressor Orphan Nuclear Receptor TLX Is Responsive to Xanthines.
ACS pharmacology & translational science
Faudone G, Kilu W, Ni X, Chaikuad A, Sreeramulu S, Heitel P, Schwalbe H, Knapp S, Schubert-Zsilavecz M, Heering J, Merk D PubMed
Dec 2021 Volume: 4 Issue: 6 Pages: 1794-1807

Structure-Based Design of Dual Partial Peroxisome Proliferator-Activated Receptor γ Agonists/Soluble Epoxide Hydrolase Inhibitors.
Journal of medicinal chemistry
Lillich FF, Willems S, Ni X, Kilu W, Borkowsky C, Brodsky M, Kramer JS, Brunst S, Hernandez-Olmos V, Heering J, Schierle S, Kestner RI, Mayser FM, Helmstädter M, Göbel T, Weizel L, Namgaladze D, Kaiser A, Steinhilber D, Pfeilschifter W, Kahnt AS, Proschak A, Chaikuad A, Knapp S, Merk D, Proschak E PubMed
Dec 2021 Volume: 64 Issue: 23 Pages: 17259-17276

Inhibitors of the Hippo Pathway Kinases STK3/MST2 and STK4/MST1 Have Utility for the Treatment of Acute Myeloid Leukemia.
Journal of medicinal chemistry
Bata N, Chaikuad A, Bakas NA, Limpert AS, Lambert LJ, Sheffler DJ, Berger LM, Liu G, Yuan C, Wang L, Peng Y, Dong J, Celeridad M, Layng F, Knapp S, Cosford NDP PubMed
Jan 2022 Volume: 65 Issue: 2 Pages: 1352-1369

Mutation in Abl kinase with altered drug-binding kinetics indicates a novel mechanism of imatinib resistance.
Proceedings of the National Academy of Sciences of the United States of America
Lyczek A, Berger BT, Rangwala AM, Paung Y, Tom J, Philipose H, Guo J, Albanese SK, Robers MB, Knapp S, Chodera JD, Seeliger MA PubMed
Nov 2021 Volume: 118 Issue: 46 Pages:

Discovery of a Potent and Highly Isoform-Selective Inhibitor of the Neglected Ribosomal Protein S6 Kinase Beta 2 (S6K2).
Cancers
Gerstenecker S, Haarer L, Schröder M, Kudolo M, Schwalm MP, Wydra V, Serafim RAM, Chaikuad A, Knapp S, Laufer S, Gehringer M PubMed
Oct 2021 Volume: 13 Issue: 20 Pages:

Design of a "Two-in-One" Mutant-Selective Epidermal Growth Factor Receptor Inhibitor That Spans the Orthosteric and Allosteric Sites.
Journal of medicinal chemistry
Wittlinger F, Heppner DE, To C, Günther M, Shin BH, Rana JK, Schmoker AM, Beyett TS, Berger LM, Berger BT, Bauer N, Vasta JD, Corona CR, Robers MB, Knapp S, Jänne PA, Eck MJ, Laufer SA PubMed
Jan 2022 Volume: 65 Issue: 2 Pages: 1370-1383

Single tracer-based protocol for broad-spectrum kinase profiling in live cells with NanoBRET.
STAR protocols
Robers MB, Wilkinson JM, Vasta JD, Berger LM, Berger BT, Knapp S PubMed
Dec 2021 Volume: 2 Issue: 4 Pages: 100822

Design and Development of a Chemical Probe for Pseudokinase Ca/calmodulin-Dependent Ser/Thr Kinase.
Journal of medicinal chemistry
Russ N, Schröder M, Berger BT, Mandel S, Aydogan Y, Mauer S, Pohl C, Drewry DH, Chaikuad A, Müller S, Knapp S PubMed
Oct 2021 Volume: 64 Issue: 19 Pages: 14358-14376

Development of a Selective Dual Discoidin Domain Receptor (DDR)/p38 Kinase Chemical Probe.
Journal of medicinal chemistry
Röhm S, Berger BT, Schröder M, Chatterjee D, Mathea S, Joerger AC, Pinkas DM, Bufton JC, Tjaden A, Kovooru L, Kudolo M, Pohl C, Bullock AN, Müller S, Laufer S, Knapp S PubMed
Sep 2021 Volume: 64 Issue: 18 Pages: 13451-13474

Author Correction: Trends in kinase drug discovery: targets, indications and inhibitor design.
Nature reviews. Drug discovery
Attwood MM, Fabbro D, Sokolov AV, Knapp S, Schiöth HB PubMed
Oct 2021 Volume: 20 Issue: 10 Pages: 798

A Chemical Toolbox for Labeling and Degrading Engineered Cas Proteins.
JACS Au
Gama-Brambila RA, Chen J, Dabiri Y, Tascher G, Němec V, Münch C, Song G, Knapp S, Cheng X PubMed
Jun 2021 Volume: 1 Issue: 6 Pages: 777-785

Discovery of a Potent Dual SLK/STK10 Inhibitor Based on a Maleimide Scaffold.
Journal of medicinal chemistry
Serafim RAM, Sorrell FJ, Berger BT, Collins RJ, Vasconcelos SNS, Massirer KB, Knapp S, Bennett J, Fedorov O, Patel H, Zuercher WJ, Elkins JM PubMed
Sep 2021 Volume: 64 Issue: 18 Pages: 13259-13278

The Small-Molecule Inhibitor MRIA9 Reveals Novel Insights into the Cell Cycle Roles of SIK2 in Ovarian Cancer Cells.
Cancers
Raab M, Rak M, Tesch R, Gasimli K, Becker S, Knapp S, Strebhardt K, Sanhaji M PubMed
Jul 2021 Volume: 13 Issue: 15 Pages:

Trends in kinase drug discovery: targets, indications and inhibitor design.
Nature reviews. Drug discovery
Attwood MM, Fabbro D, Sokolov AV, Knapp S, Schiöth HB PubMed
Nov 2021 Volume: 20 Issue: 11 Pages: 839-861

Crystal Structure-Guided Design of Bisubstrate Inhibitors and Photoluminescent Probes for Protein Kinases of the PIM Family.
Molecules (Basel, Switzerland)
Nonga OE, Lavogina D, Enkvist E, Kestav K, Chaikuad A, Dixon-Clarke SE, Bullock AN, Kopanchuk S, Ivan T, Ekambaram R, Viht K, Knapp S, Uri A PubMed
Jul 2021 Volume: 26 Issue: 14 Pages:

Integrated analysis of Shank1 PDZ interactions with C-terminal and internal binding motifs.
Current research in structural biology
Ali M, McAuley MM, Lüchow S, Knapp S, Joerger AC, Ivarsson Y PubMed
2021 Volume: 3 Issue: Pages: 41-50

Addressing a Trapped High-Energy Water: Design and Synthesis of Highly Potent Pyrimidoindole-Based Glycogen Synthase Kinase-3β Inhibitors.
Journal of medicinal chemistry
Andreev S, Pantsar T, Tesch R, Kahlke N, El-Gokha A, Ansideri F, Grätz L, Romasco J, Sita G, Geibel C, Lämmerhofer M, Tarozzi A, Knapp S, Laufer SA, Koch P PubMed
Jan 2022 Volume: 65 Issue: 2 Pages: 1283-1301

Conformational plasticity of the ULK3 kinase domain.
The Biochemical journal
Mathea S, Salah E, Tallant C, Chatterjee D, Berger BT, Konietzny R, Müller S, Kessler BM, Knapp S PubMed
Jul 2021 Volume: 478 Issue: 14 Pages: 2811-2823

Propranolol Activates the Orphan Nuclear Receptor TLX to Counteract Proliferation and Migration of Glioblastoma Cells.
Journal of medicinal chemistry
Faudone G, Bischoff-Kont I, Rachor L, Willems S, Zhubi R, Kaiser A, Chaikuad A, Knapp S, Fürst R, Heering J, Merk D PubMed
Jun 2021 Volume: 64 Issue: 12 Pages: 8727-8738

Conformation and dynamics of the kinase domain drive subcellular location and activation of LRRK2.
Proceedings of the National Academy of Sciences of the United States of America
Schmidt SH, Weng JH, Aoto PC, Boassa D, Mathea S, Silletti S, Hu J, Wallbott M, Komives EA, Knapp S, Herberg FW, Taylor SS PubMed
Jun 2021 Volume: 118 Issue: 23 Pages:

Structure-Based Design of Selective Salt-Inducible Kinase Inhibitors.
Journal of medicinal chemistry
Tesch R, Rak M, Raab M, Berger LM, Kronenberger T, Joerger AC, Berger BT, Abdi I, Hanke T, Poso A, Strebhardt K, Sanhaji M, Knapp S PubMed
Jun 2021 Volume: 64 Issue: 12 Pages: 8142-8160

Controlling the Covalent Reactivity of a Kinase Inhibitor with Light.
Angewandte Chemie (International ed. in English)
Reynders M, Chaikuad A, Berger BT, Bauer K, Koch P, Laufer S, Knapp S, Trauner D PubMed
Sep 2021 Volume: 60 Issue: 37 Pages: 20178-20183

Synthetic Opportunities and Challenges for Macrocyclic Kinase Inhibitors.
Journal of medicinal chemistry
Amrhein JA, Knapp S, Hanke T PubMed
Jun 2021 Volume: 64 Issue: 12 Pages: 7991-8009

C81-evoked inhibition of the TNFR1-NFκB pathway during inflammatory processes for stabilization of the impaired vascular endothelial barrier for leukocytes.
FASEB journal : official publication of the Federation of American Societies for Experimental Biology
Krishnathas GM, Strödke B, Mittmann L, Zech T, Berger LM, Reichel CA, Rösser S, Schmid T, Knapp S, Müller S, Bracher F, Fürst R, Bischoff-Kont I PubMed
Jun 2021 Volume: 35 Issue: 6 Pages: e21656

Large-Scale Recombinant Production of the SARS-CoV-2 Proteome for High-Throughput and Structural Biology Applications.
Frontiers in molecular biosciences
Altincekic N, Korn SM, Qureshi NS, Dujardin M, Ninot-Pedrosa M, Abele R, Abi Saad MJ, Alfano C, Almeida FCL, Alshamleh I, de Amorim GC, Anderson TK, Anobom CD, Anorma C, Bains JK, Bax A, Blackledge M, Blechar J, Böckmann A, Brigandat L, Bula A, Bütikofer M, Camacho-Zarco AR, Carlomagno T, Caruso IP, Ceylan B, Chaikuad A, Chu F, Cole L, Crosby MG, de Jesus V, Dhamotharan K, Felli IC, Ferner J, Fleischmann Y, Fogeron ML, Fourkiotis NK, Fuks C, Fürtig B, Gallo A, Gande SL, Gerez JA, Ghosh D, Gom... PubMed
2021 Volume: 8 Issue: Pages: 653148

Endogenous vitamin E metabolites mediate allosteric PPARγ activation with unprecedented co-regulatory interactions.
Cell chemical biology
Willems S, Gellrich L, Chaikuad A, Kluge S, Werz O, Heering J, Knapp S, Lorkowski S, Schubert-Zsilavecz M, Merk D PubMed
Oct 2021 Volume: 28 Issue: 10 Pages: 1489-1500.e8

Design, Synthesis, and Evaluation of WD-Repeat-Containing Protein 5 (WDR5) Degraders.
Journal of medicinal chemistry
Dölle A, Adhikari B, Krämer A, Weckesser J, Berner N, Berger LM, Diebold M, Szewczyk MM, Barsyte-Lovejoy D, Arrowsmith CH, Gebel J, Löhr F, Dötsch V, Eilers M, Heinzlmeir S, Kuster B, Sotriffer C, Wolf E, Knapp S PubMed
Aug 2021 Volume: 64 Issue: 15 Pages: 10682-10710

Exploiting vulnerabilities of SWI/SNF chromatin remodelling complexes for cancer therapy.
Oncogene
Wanior M, Krämer A, Knapp S, Joerger AC PubMed
May 2021 Volume: 40 Issue: 21 Pages: 3637-3654

Structural Insights into Plasticity and Discovery of Remdesivir Metabolite GS-441524 Binding in SARS-CoV-2 Macrodomain.
ACS medicinal chemistry letters
Ni X, Schröder M, Olieric V, Sharpe ME, Hernandez-Olmos V, Proschak E, Merk D, Knapp S, Chaikuad A PubMed
Apr 2021 Volume: 12 Issue: 4 Pages: 603-609

7-(2-Anilinopyrimidin-4-yl)-1-benzazepin-2-ones Designed by a "Cut and Glue" Strategy Are Dual Aurora A/VEGF-R Kinase Inhibitors.
Molecules (Basel, Switzerland)
Karatas M, Chaikuad A, Berger B, Kubbutat MHG, Totzke F, Knapp S, Kunick C PubMed
Mar 2021 Volume: 26 Issue: 6 Pages:

Oxaprozin Analogues as Selective RXR Agonists with Superior Properties and Pharmacokinetics.
Journal of medicinal chemistry
Schierle S, Chaikuad A, Lillich FF, Ni X, Woltersdorf S, Schallmayer E, Renelt B, Ronchetti R, Knapp S, Proschak E, Merk D PubMed
Apr 2021 Volume: 64 Issue: 8 Pages: 5123-5136

Demonstrating Ligandability of the LC3A and LC3B Adapter Interface.
Journal of medicinal chemistry
Hartmann M, Huber J, Kramer JS, Heering J, Pietsch L, Stark H, Odadzic D, Bischoff I, Fürst R, Schröder M, Akutsu M, Chaikuad A, Dötsch V, Knapp S, Biondi RM, Rogov VV, Proschak E PubMed
Apr 2021 Volume: 64 Issue: 7 Pages: 3720-3746

Structure and Inhibitor Binding Characterization of Oncogenic MLLT1 Mutants.
ACS chemical biology
Ni X, Londregan AT, Owen DR, Knapp S, Chaikuad A PubMed
Apr 2021 Volume: 16 Issue: 4 Pages: 571-578

Highly selective inhibitors of protein kinases CLK and HIPK with the furo[3,2-b]pyridine core.
European journal of medicinal chemistry
Němec V, Maier L, Berger BT, Chaikuad A, Drápela S, Souček K, Knapp S, Paruch K PubMed
Apr 2021 Volume: 215 Issue: Pages: 113299

Combined Cardioprotective and Adipocyte Browning Effects Promoted by the Eutomer of Dual sEH/PPARγ Modulator.
Journal of medicinal chemistry
Hartmann M, Bibli SI, Tews D, Ni X, Kircher T, Kramer JS, Kilu W, Heering J, Hernandez-Olmos V, Weizel L, Scriba GKE, Krait S, Knapp S, Chaikuad A, Merk D, Fleming I, Fischer-Posovszky P, Proschak E PubMed
Mar 2021 Volume: 64 Issue: 5 Pages: 2815-2828

Drugging the "Undruggable" MYCN Oncogenic Transcription Factor: Overcoming Previous Obstacles to Impact Childhood Cancers.
Cancer research
Wolpaw AJ, Bayliss R, Büchel G, Dang CV, Eilers M, Gustafson WC, Hansen GH, Jura N, Knapp S, Lemmon MA, Levens D, Maris JM, Marmorstein R, Metallo SJ, Park JR, Penn LZ, Rape M, Roussel MF, Shokat KM, Tansey WP, Verba KA, Vos SM, Weiss WA, Wolf E, Mossé YP PubMed
Apr 2021 Volume: 81 Issue: 7 Pages: 1627-1632

Structure-kinetic relationship reveals the mechanism of selectivity of FAK inhibitors over PYK2.
Cell chemical biology
Berger BT, Amaral M, Kokh DB, Nunes-Alves A, Musil D, Heinrich T, Schröder M, Neil R, Wang J, Navratilova I, Bomke J, Elkins JM, Müller S, Frech M, Wade RC, Knapp S PubMed
May 2021 Volume: 28 Issue: 5 Pages: 686-698.e7

Development of a potent and selective chemical probe for the pleiotropic kinase CK2.
Cell chemical biology
Wells CI, Drewry DH, Pickett JE, Tjaden A, Krämer A, Müller S, Gyenis L, Menyhart D, Litchfield DW, Knapp S, Axtman AD PubMed
Apr 2021 Volume: 28 Issue: 4 Pages: 546-558.e10

Deciphering the LRRK code: LRRK1 and LRRK2 phosphorylate distinct Rab proteins and are regulated by diverse mechanisms.
The Biochemical journal
Malik AU, Karapetsas A, Nirujogi RS, Mathea S, Chatterjee D, Pal P, Lis P, Taylor M, Purlyte E, Gourlay R, Dorward M, Weidlich S, Toth R, Polinski NK, Knapp S, Tonelli F, Alessi DR PubMed
Feb 2021 Volume: 478 Issue: 3 Pages: 553-578

The Kinase Chemogenomic Set (KCGS): An Open Science Resource for Kinase Vulnerability Identification.
International journal of molecular sciences
Wells CI, Al-Ali H, Andrews DM, Asquith CRM, Axtman AD, Dikic I, Ebner D, Ettmayer P, Fischer C, Frederiksen M, Futrell RE, Gray NS, Hatch SB, Knapp S, Lücking U, Michaelides M, Mills CE, Müller S, Owen D, Picado A, Saikatendu KS, Schröder M, Stolz A, Tellechea M, Turunen BJ, Vilar S, Wang J, Zuercher WJ, Willson TM, Drewry DH PubMed
Jan 2021 Volume: 22 Issue: 2 Pages:

How to Separate Kinase Inhibition from Undesired Monoamine Oxidase A Inhibition-The Development of the DYRK1A Inhibitor AnnH75 from the Alkaloid Harmine.
Molecules (Basel, Switzerland)
Wurzlbauer A, Rüben K, Gürdal E, Chaikuad A, Knapp S, Sippl W, Becker W, Bracher F PubMed
Dec 2020 Volume: 25 Issue: 24 Pages:

Mapping the Endothelial Cell -Sulfhydrome Highlights the Crucial Role of Integrin Sulfhydration in Vascular Function.
Circulation
Bibli SI, Hu J, Looso M, Weigert A, Ratiu C, Wittig J, Drekolia MK, Tombor L, Randriamboavonjy V, Leisegang MS, Goymann P, Delgado Lagos F, Fisslthaler B, Zukunft S, Kyselova A, Justo AFO, Heidler J, Tsilimigras D, Brandes RP, Dimmeler S, Papapetropoulos A, Knapp S, Offermanns S, Wittig I, Nishimura SL, Sigala F, Fleming I PubMed
Mar 2021 Volume: 143 Issue: 9 Pages: 935-948

Discovery of a Novel Class of Covalent Dual Inhibitors Targeting the Protein Kinases BMX and BTK.
International journal of molecular sciences
Forster M, Liang XJ, Schröder M, Gerstenecker S, Chaikuad A, Knapp S, Laufer S, Gehringer M PubMed
Dec 2020 Volume: 21 Issue: 23 Pages:

Pan-SMARCA/PB1 Bromodomain Inhibitors and Their Role in Regulating Adipogenesis.
Journal of medicinal chemistry
Wanior M, Preuss F, Ni X, Krämer A, Mathea S, Göbel T, Heidenreich D, Simonyi S, Kahnt AS, Joerger AC, Knapp S PubMed
Dec 2020 Volume: 63 Issue: 23 Pages: 14680-14699

A Chemical Probe for Dark Kinase STK17B Derives Its Potency and High Selectivity through a Unique P-Loop Conformation.
Journal of medicinal chemistry
Picado A, Chaikuad A, Wells CI, Shrestha S, Zuercher WJ, Pickett JE, Kwarcinski FE, Sinha P, de Silva CS, Zutshi R, Liu S, Kannan N, Knapp S, Drewry DH, Willson TM PubMed
Dec 2020 Volume: 63 Issue: 23 Pages: 14626-14646

Design, Synthesis, and Characterization of an Orally Active Dual-Specific ULK1/2 Autophagy Inhibitor that Synergizes with the PARP Inhibitor Olaparib for the Treatment of Triple-Negative Breast Cancer.
Journal of medicinal chemistry
Ren H, Bakas NA, Vamos M, Chaikuad A, Limpert AS, Wimer CD, Brun SN, Lambert LJ, Tautz L, Celeridad M, Sheffler DJ, Knapp S, Shaw RJ, Cosford NDP PubMed
Dec 2020 Volume: 63 Issue: 23 Pages: 14609-14625

Aminothiazolones as potent, selective and cell active inhibitors of the PIM kinase family.
Bioorganic & medicinal chemistry
Quevedo CE, Bataille CJR, Byrne S, Durbin M, Elkins J, Guillermo A, Jones AM, Knapp S, Nadali A, Walker RG, Wilkinson IVL, Wynne GM, Davies SG, Russell AJ PubMed
Nov 2020 Volume: 28 Issue: 22 Pages: 115724

Kinase Domain Is a Dynamic Hub for Driving LRRK2 Allostery.
Frontiers in molecular neuroscience
Taylor SS, Kaila-Sharma P, Weng JH, Aoto P, Schmidt SH, Knapp S, Mathea S, Herberg FW PubMed
2020 Volume: 13 Issue: Pages: 538219

Crystal Structure and Inhibitor Identifications Reveal Targeting Opportunity for the Atypical MAPK Kinase ERK3.
International journal of molecular sciences
Schröder M, Filippakopoulos P, Schwalm MP, Ferrer CA, Drewry DH, Knapp S, Chaikuad A PubMed
Oct 2020 Volume: 21 Issue: 21 Pages:

Modulating Androgen Receptor-Driven Transcription in Prostate Cancer with Selective CDK9 Inhibitors.
Cell chemical biology
Richters A, Doyle SK, Freeman DB, Lee C, Leifer BS, Jagannathan S, Kabinger F, Koren JV, Struntz NB, Urgiles J, Stagg RA, Curtin BH, Chatterjee D, Mathea S, Mikochik PJ, Hopkins TD, Gao H, Branch JR, Xin H, Westover L, Bignan GC, Rupnow BA, Karlin KL, Olson CM, Westbrook TF, Vacca J, Wilfong CM, Trotter BW, Saffran DC, Bischofberger N, Knapp S, Russo JW, Hickson I, Bischoff JR, Gottardis MM, Balk SP, Lin CY, Pop MS, Koehler AN PubMed
Feb 2021 Volume: 28 Issue: 2 Pages: 134-147.e14

Design of new disubstituted imidazo[1,2-]pyridazine derivatives as selective Haspin inhibitors. Synthesis, binding mode and anticancer biological evaluation.
Journal of enzyme inhibition and medicinal chemistry
Elie J, Feizbakhsh O, Desban N, Josselin B, Baratte B, Bescond A, Duez J, Fant X, Bach S, Marie D, Place M, Ben Salah S, Chartier A, Berteina-Raboin S, Chaikuad A, Knapp S, Carles F, Bonnet P, Buron F, Routier S, Ruchaud S PubMed
Dec 2020 Volume: 35 Issue: 1 Pages: 1840-1853

Selective targeting of the αC and DFG-out pocket in p38 MAPK.
European journal of medicinal chemistry
Röhm S, Schröder M, Dwyer JE, Widdowson CS, Chaikuad A, Berger BT, Joerger AC, Krämer A, Harbig J, Dauch D, Kudolo M, Laufer S, Bagley MC, Knapp S PubMed
Dec 2020 Volume: 208 Issue: Pages: 112721

Decoding the Papain Inhibitor from as Being Hydroxylated Chymostatin Derivatives: Purification, Structure Analysis, and Putative Biosynthetic Pathway.
Journal of natural products
Juettner NE, Bogen JP, Bauer TA, Knapp S, Pfeifer F, Huettenhain SH, Meusinger R, Kraemer A, Fuchsbauer HL PubMed
Oct 2020 Volume: 83 Issue: 10 Pages: 2983-2995

PROTAC-mediated degradation reveals a non-catalytic function of AURORA-A kinase.
Nature chemical biology
Adhikari B, Bozilovic J, Diebold M, Schwarz JD, Hofstetter J, Schröder M, Wanior M, Narain A, Vogt M, Dudvarski Stankovic N, Baluapuri A, Schönemann L, Eing L, Bhandare P, Kuster B, Schlosser A, Heinzlmeir S, Sotriffer C, Knapp S, Wolf E PubMed
Nov 2020 Volume: 16 Issue: 11 Pages: 1179-1188

Nanopore Enzymology to Study Protein Kinases and Their Inhibition by Small Molecules.
Methods in molecular biology (Clifton, N.J.)
Harrington L, Alexander LT, Knapp S, Bayley H PubMed
2021 Volume: 2186 Issue: Pages: 95-114

Optimization of pyrazolo[1,5-a]pyrimidines lead to the identification of a highly selective casein kinase 2 inhibitor.
European journal of medicinal chemistry
Krämer A, Kurz CG, Berger BT, Celik IE, Tjaden A, Greco FA, Knapp S, Hanke T PubMed
Dec 2020 Volume: 208 Issue: Pages: 112770

Nucleotide Binding, Evolutionary Insights, and Interaction Partners of the Pseudokinase Unc-51-like Kinase 4.
Structure (London, England : 1993)
Preuss F, Chatterjee D, Mathea S, Shrestha S, St-Germain J, Saha M, Kannan N, Raught B, Rottapel R, Knapp S PubMed
Nov 2020 Volume: 28 Issue: 11 Pages: 1184-1196.e6

DFG-1 Residue Controls Inhibitor Binding Mode and Affinity, Providing a Basis for Rational Design of Kinase Inhibitor Selectivity.
Journal of medicinal chemistry
Schröder M, Bullock AN, Fedorov O, Bracher F, Chaikuad A, Knapp S PubMed
Sep 2020 Volume: 63 Issue: 18 Pages: 10224-10234

Catalytic Domain Plasticity of MKK7 Reveals Structural Mechanisms of Allosteric Activation and Diverse Targeting Opportunities.
Cell chemical biology
Schröder M, Tan L, Wang J, Liang Y, Gray NS, Knapp S, Chaikuad A PubMed
Oct 2020 Volume: 27 Issue: 10 Pages: 1285-1295.e4

Comparative structural analyses and nucleotide-binding characterization of the four KH domains of FUBP1.
Scientific reports
Ni X, Knapp S, Chaikuad A PubMed
Aug 2020 Volume: 10 Issue: 1 Pages: 13459

p63 uses a switch-like mechanism to set the threshold for induction of apoptosis.
Nature chemical biology
Gebel J, Tuppi M, Chaikuad A, Hötte K, Schröder M, Schulz L, Löhr F, Gutfreund N, Finke F, Henrich E, Mezhyrova J, Lehnert R, Pampaloni F, Hummer G, Stelzer EHK, Knapp S, Dötsch V PubMed
Oct 2020 Volume: 16 Issue: 10 Pages: 1078-1086

Development of a chemical probe against NUDT15.
Nature chemical biology
Zhang SM, Desroses M, Hagenkort A, Valerie NCK, Rehling D, Carter M, Wallner O, Koolmeister T, Throup A, Jemth AS, Almlöf I, Loseva O, Lundbäck T, Axelsson H, Regmi S, Sarno A, Krämer A, Pudelko L, Bräutigam L, Rasti A, Göttmann M, Wiita E, Kutzner J, Schaller T, Kalderén C, Cázares-Körner A, Page BDG, Krimpenfort R, Eshtad S, Altun M, Rudd SG, Knapp S, Scobie M, Homan EJ, Berglund UW, Stenmark P, Helleday T PubMed
Oct 2020 Volume: 16 Issue: 10 Pages: 1120-1128

Structural Insights into Pseudokinase Domains of Receptor Tyrosine Kinases.
Molecular cell
Sheetz JB, Mathea S, Karvonen H, Malhotra K, Chatterjee D, Niininen W, Perttilä R, Preuss F, Suresh K, Stayrook SE, Tsutsui Y, Radhakrishnan R, Ungureanu D, Knapp S, Lemmon MA PubMed
Aug 2020 Volume: 79 Issue: 3 Pages: 390-405.e7

The orphan nuclear receptor Nurr1 is responsive to non-steroidal anti-inflammatory drugs.
Communications chemistry
Willems S, Kilu W, Ni X, Chaikuad A, Knapp S, Heering J, Merk D PubMed
Jul 2020 Volume: 3 Issue: 1 Pages: 85

Characterization of a dual BET/HDAC inhibitor for treatment of pancreatic ductal adenocarcinoma.
International journal of cancer
Zhang X, Zegar T, Weiser T, Hamdan FH, Berger BT, Lucas R, Balourdas DI, Ladigan S, Cheung PF, Liffers ST, Trajkovic-Arsic M, Scheffler B, Joerger AC, Hahn SA, Johnsen SA, Knapp S, Siveke JT PubMed
Nov 2020 Volume: 147 Issue: 10 Pages: 2847-2861

Backbone resonance assignments of the catalytic and regulatory domains of Ca/calmodulin-dependent protein kinase 1D.
Biomolecular NMR assignments
Tong MHG, Jeeves M, Rajesh S, Ludwig C, Lenoir M, Kumar J, McClelland DM, Berditchevski F, Hubbard JA, Kenyon C, Butterworth S, Knapp S, Overduin M PubMed
Oct 2020 Volume: 14 Issue: 2 Pages: 221-225

Bioisosteric Replacement of Arylamide-Linked Spine Residues with -Acylhydrazones and Selenophenes as a Design Strategy to Novel Dibenzosuberone Derivatives as Type I 1/2 p38α MAP Kinase Inhibitors.
Journal of medicinal chemistry
Pedreira JGB, Nahidino P, Kudolo M, Pantsar T, Berger BT, Forster M, Knapp S, Laufer S, Barreiro EJ PubMed
Jul 2020 Volume: 63 Issue: 13 Pages: 7347-7354

The novel dual BET/HDAC inhibitor TW09 mediates cell death by mitochondrial apoptosis in rhabdomyosarcoma cells.
Cancer letters
Laszig S, Boedicker C, Weiser T, Knapp S, Fulda S PubMed
Aug 2020 Volume: 486 Issue: Pages: 46-57

Discovery of Highly Selective Inhibitors of Calmodulin-Dependent Kinases That Restore Insulin Sensitivity in the Diet-Induced Obesity Mouse Model.
Journal of medicinal chemistry
Fromont C, Atzori A, Kaur D, Hashmi L, Greco G, Cabanillas A, Nguyen HV, Jones DH, Garzón M, Varela A, Stevenson B, Iacobini GP, Lenoir M, Rajesh S, Box C, Kumar J, Grant P, Novitskaya V, Morgan J, Sorrell FJ, Redondo C, Kramer A, Harris CJ, Leighton B, Vickers SP, Cheetham SC, Kenyon C, Grabowska AM, Overduin M, Berditchevski F, Weston CJ, Knapp S, Fischer PM, Butterworth S PubMed
Jul 2020 Volume: 63 Issue: 13 Pages: 6784-6801

Radiolabeled cCPE Peptides for SPECT Imaging of Claudin-4 Overexpression in Pancreatic Cancer.
Journal of nuclear medicine : official publication, Society of Nuclear Medicine
Torres JB, Mosley M, Koustoulidou S, Hopkins S, Knapp S, Chaikuad A, Kondoh M, Tachibana K, Kersemans V, Cornelissen B PubMed
Dec 2020 Volume: 61 Issue: 12 Pages: 1756-1763

Therapeutic targeting of p300/CBP HAT domain for the treatment of NUT midline carcinoma.
Oncogene
Zhang X, Zegar T, Lucas A, Morrison-Smith C, Knox T, French CA, Knapp S, Müller S, Siveke JT PubMed
Jun 2020 Volume: 39 Issue: 24 Pages: 4770-4779

l-Thyroxin and the Nonclassical Thyroid Hormone TETRAC Are Potent Activators of PPARγ.
Journal of medicinal chemistry
Gellrich L, Heitel P, Heering J, Kilu W, Pollinger J, Goebel T, Kahnt A, Arifi S, Pogoda W, Paulke A, Steinhilber D, Proschak E, Wurglics M, Schubert-Zsilavecz M, Chaikuad A, Knapp S, Bischoff I, Fürst R, Merk D PubMed
Jul 2020 Volume: 63 Issue: 13 Pages: 6727-6740

Next-generation epigenetic inhibitors.
Science (New York, N.Y.)
Filippakopoulos P, Knapp S PubMed
Apr 2020 Volume: 368 Issue: 6489 Pages: 367-368

A Selective Modulator of Peroxisome Proliferator-Activated Receptor γ with an Unprecedented Binding Mode.
Journal of medicinal chemistry
Hanke T, Cheung SY, Kilu W, Heering J, Ni X, Planz V, Schierle S, Faudone G, Friedrich M, Wanior M, Werz O, Windbergs M, Proschak E, Schubert-Zsilavecz M, Chaikuad A, Knapp S, Merk D PubMed
May 2020 Volume: 63 Issue: 9 Pages: 4555-4561

A Highly Selective Chemical Probe for Activin Receptor-like Kinases ALK4 and ALK5.
ACS chemical biology
Hanke T, Wong JF, Berger BT, Abdi I, Berger LM, Tesch R, Tredup C, Bullock AN, Müller S, Knapp S PubMed
Apr 2020 Volume: 15 Issue: 4 Pages: 862-870

Co-inhibition of BET proteins and PI3Kα triggers mitochondrial apoptosis in rhabdomyosarcoma cells.
Oncogene
Boedicker C, Hussong M, Grimm C, Dolgikh N, Meister MT, Enßle JC, Wanior M, Knapp S, Schweiger MR, Fulda S PubMed
May 2020 Volume: 39 Issue: 19 Pages: 3837-3852

Identification of molecular targets for the targeted treatment of gastric cancer using dasatinib.
Oncotarget
Montenegro RC, Howarth A, Ceroni A, Fedele V, Farran B, Mesquita FP, Frejno M, Berger BT, Heinzlmeir S, Sailem HZ, Tesch R, Ebner D, Knapp S, Burbano R, Kuster B, Müller S PubMed
Feb 2020 Volume: 11 Issue: 5 Pages: 535-549

Activation by substoichiometric inhibition.
Proceedings of the National Academy of Sciences of the United States of America
Merdanovic M, Burston SG, Schmitz AL, Köcher S, Knapp S, Clausen T, Kaiser M, Huber R, Ehrmann M PubMed
Jan 2020 Volume: 117 Issue: 3 Pages: 1414-1418

Structural Insights into Interaction Mechanisms of Alternative Piperazine-urea YEATS Domain Binders in MLLT1.
ACS medicinal chemistry letters
Ni X, Heidenreich D, Christott T, Bennett J, Moustakim M, Brennan PE, Fedorov O, Knapp S, Chaikuad A PubMed
Dec 2019 Volume: 10 Issue: 12 Pages: 1661-1666

[]-Annulated Halogen-Substituted Indoles as Potential DYRK1A Inhibitors.
Molecules (Basel, Switzerland)
Lechner C, Flaßhoff M, Falke H, Preu L, Loaëc N, Meijer L, Knapp S, Chaikuad A, Kunick C PubMed
Nov 2019 Volume: 24 Issue: 22 Pages:

Fast Iterative Synthetic Approach toward Identification of Novel Highly Selective p38 MAP Kinase Inhibitors.
Journal of medicinal chemistry
Röhm S, Berger BT, Schröder M, Chaikuad A, Winkel R, Hekking KFW, Benningshof JJC, Müller G, Tesch R, Kudolo M, Forster M, Laufer S, Knapp S PubMed
Dec 2019 Volume: 62 Issue: 23 Pages: 10757-10782

Lessons from LIMK1 enzymology and their impact on inhibitor design.
The Biochemical journal
Salah E, Chatterjee D, Beltrami A, Tumber A, Preuss F, Canning P, Chaikuad A, Knaus P, Knapp S, Bullock AN, Mathea S PubMed
Nov 2019 Volume: 476 Issue: 21 Pages: 3197-3209

A Novel Biphenyl-based Chemotype of Retinoid X Receptor Ligands Enables Subtype and Heterodimer Preferences.
ACS medicinal chemistry letters
Pollinger J, Schierle S, Gellrich L, Ohrndorf J, Kaiser A, Heitel P, Chaikuad A, Knapp S, Merk D PubMed
Sep 2019 Volume: 10 Issue: 9 Pages: 1346-1352

Discovery of the First in Vivo Active Inhibitors of the Soluble Epoxide Hydrolase Phosphatase Domain.
Journal of medicinal chemistry
Kramer JS, Woltersdorf S, Duflot T, Hiesinger K, Lillich FF, Knöll F, Wittmann SK, Klingler FM, Brunst S, Chaikuad A, Morisseau C, Hammock BD, Buccellati C, Sala A, Rovati GE, Leuillier M, Fraineau S, Rondeaux J, Hernandez-Olmos V, Heering J, Merk D, Pogoryelov D, Steinhilber D, Knapp S, Bellien J, Proschak E PubMed
Sep 2019 Volume: 62 Issue: 18 Pages: 8443-8460

High-Throughput Purification of Protein Kinases from Escherichia coli and Insect Cells.
Methods in molecular biology (Clifton, N.J.)
Mathea S, Salah E, Knapp S PubMed
2019 Volume: 2025 Issue: Pages: 191-202

Synthesis and Structure-Activity Relationships of 3,5-Disubstituted-pyrrolo[2,3- b]pyridines as Inhibitors of Adaptor-Associated Kinase 1 with Antiviral Activity.
Journal of medicinal chemistry
Verdonck S, Pu SY, Sorrell FJ, Elkins JM, Froeyen M, Gao LJ, Prugar LI, Dorosky DE, Brannan JM, Barouch-Bentov R, Knapp S, Dye JM, Herdewijn P, Einav S, De Jonghe S PubMed
Jun 2019 Volume: 62 Issue: 12 Pages: 5810-5831

A chemical toolbox for the study of bromodomains and epigenetic signaling.
Nature communications
Wu Q, Heidenreich D, Zhou S, Ackloo S, Krämer A, Nakka K, Lima-Fernandes E, Deblois G, Duan S, Vellanki RN, Li F, Vedadi M, Dilworth J, Lupien M, Brennan PE, Arrowsmith CH, Müller S, Fedorov O, Filippakopoulos P, Knapp S PubMed
Apr 2019 Volume: 10 Issue: 1 Pages: 1915

Leveraging Compound Promiscuity to Identify Targetable Cysteines within the Kinome.
Cell chemical biology
Rao S, Gurbani D, Du G, Everley RA, Browne CM, Chaikuad A, Tan L, Schröder M, Gondi S, Ficarro SB, Sim T, Kim ND, Berberich MJ, Knapp S, Marto JA, Westover KD, Sorger PK, Gray NS PubMed
Jun 2019 Volume: 26 Issue: 6 Pages: 818-829.e9

Designing Dual Inhibitors of Anaplastic Lymphoma Kinase (ALK) and Bromodomain-4 (BRD4) by Tuning Kinase Selectivity.
Journal of medicinal chemistry
Watts E, Heidenreich D, Tucker E, Raab M, Strebhardt K, Chesler L, Knapp S, Bellenie B, Hoelder S PubMed
Mar 2019 Volume: 62 Issue: 5 Pages: 2618-2637

Conservation of structure, function and inhibitor binding in UNC-51-like kinase 1 and 2 (ULK1/2).
The Biochemical journal
Chaikuad A, Koschade SE, Stolz A, Zivkovic K, Pohl C, Shaid S, Ren H, Lambert LJ, Cosford NDP, Brandts CH, Knapp S PubMed
Mar 2019 Volume: 476 Issue: 5 Pages: 875-887

SGC-GAK-1: A Chemical Probe for Cyclin G Associated Kinase (GAK).
Journal of medicinal chemistry
Asquith CRM, Berger BT, Wan J, Bennett JM, Capuzzi SJ, Crona DJ, Drewry DH, East MP, Elkins JM, Fedorov O, Godoi PH, Hunter DM, Knapp S, Müller S, Torrice CD, Wells CI, Earp HS, Willson TM, Zuercher WJ PubMed
Mar 2019 Volume: 62 Issue: 5 Pages: 2830-2836

New pyrido[3,4-g]quinazoline derivatives as CLK1 and DYRK1A inhibitors: synthesis, biological evaluation and binding mode analysis.
European journal of medicinal chemistry
Tazarki H, Zeinyeh W, Esvan YJ, Knapp S, Chatterjee D, Schröder M, Joerger AC, Khiari J, Josselin B, Baratte B, Bach S, Ruchaud S, Anizon F, Giraud F, Moreau P PubMed
Mar 2019 Volume: 166 Issue: Pages: 304-317

An Activity-Based Probe Targeting Non-Catalytic, Highly Conserved Amino Acid Residues within Bromodomains.
Angewandte Chemie (International ed. in English)
D'Ascenzio M, Pugh KM, Konietzny R, Berridge G, Tallant C, Hashem S, Monteiro O, Thomas JR, Schirle M, Knapp S, Marsden B, Fedorov O, Bountra C, Kessler BM, Brennan PE PubMed
Jan 2019 Volume: 58 Issue: 4 Pages: 1007-1012

Single-Molecule Protein Phosphorylation and Dephosphorylation by Nanopore Enzymology.
ACS nano
Harrington L, Alexander LT, Knapp S, Bayley H PubMed
Jan 2019 Volume: 13 Issue: 1 Pages: 633-641

Furo[3,2-b]pyridine: A Privileged Scaffold for Highly Selective Kinase Inhibitors and Effective Modulators of the Hedgehog Pathway.
Angewandte Chemie (International ed. in English)
Němec V, Hylsová M, Maier L, Flegel J, Sievers S, Ziegler S, Schröder M, Berger BT, Chaikuad A, Valčíková B, Uldrijan S, Drápela S, Souček K, Waldmann H, Knapp S, Paruch K PubMed
Jan 2019 Volume: 58 Issue: 4 Pages: 1062-1066

Correction to "Quantitative Characterization of Bivalent Probes for a Dual Bromodomain Protein, Transcription Initiation Factor TFIID subunit 1".
Biochemistry
Suh JL, Watts B, Stuckey JI, Norris-Drouin JL, Cholensky SH, Dickson BM, An Y, Mathea S, Salah E, Knapp S, Khan A, Adams AT, Strahl BD, Sagum CA, Bedford MT, James LI, Kireev DB, Frye SV PubMed
Dec 2018 Volume: 57 Issue: 49 Pages: 6806

Structure-Based Approach toward Identification of Inhibitory Fragments for Eleven-Nineteen-Leukemia Protein (ENL).
Journal of medicinal chemistry
Heidenreich D, Moustakim M, Schmidt J, Merk D, Brennan PE, Fedorov O, Chaikuad A, Knapp S PubMed
Dec 2018 Volume: 61 Issue: 23 Pages: 10929-10934

A Pseudo-Kinase Double Act.
Structure (London, England : 1993)
Preuß F, Mathea S, Knapp S PubMed
Nov 2018 Volume: 26 Issue: 11 Pages: 1564

Binding Kinetics Survey of the Drugged Kinome.
Journal of the American Chemical Society
Georgi V, Schiele F, Berger BT, Steffen A, Marin Zapata PA, Briem H, Menz S, Preusse C, Vasta JD, Robers MB, Brands M, Knapp S, Fernández-Montalván A PubMed
Nov 2018 Volume: 140 Issue: 46 Pages: 15774-15782

Structure of a glutamine donor mimicking inhibitory peptide shaped by the catalytic cleft of microbial transglutaminase.
The FEBS journal
Juettner NE, Schmelz S, Kraemer A, Knapp S, Becker B, Kolmar H, Scrima A, Fuchsbauer HL PubMed
Dec 2018 Volume: 285 Issue: 24 Pages: 4684-4694

Discovery of an MLLT1/3 YEATS Domain Chemical Probe.
Angewandte Chemie (International ed. in English)
Moustakim M, Christott T, Monteiro OP, Bennett J, Giroud C, Ward J, Rogers CM, Smith P, Panagakou I, Díaz-Sáez L, Felce SL, Gamble V, Gileadi C, Halidi N, Heidenreich D, Chaikuad A, Knapp S, Huber KVM, Farnie G, Heer J, Manevski N, Poda G, Al-Awar R, Dixon DJ, Brennan PE, Fedorov O PubMed
Dec 2018 Volume: 57 Issue: 50 Pages: 16302-16307

BRAF/MAPK and GSK3 signaling converges to control MITF nuclear export.
Proceedings of the National Academy of Sciences of the United States of America
Ngeow KC, Friedrichsen HJ, Li L, Zeng Z, Andrews S, Volpon L, Brunsdon H, Berridge G, Picaud S, Fischer R, Lisle R, Knapp S, Filippakopoulos P, Knowles H, Steingrímsson E, Borden KLB, Patton EE, Goding CR PubMed
Sep 2018 Volume: 115 Issue: 37 Pages: E8668-E8677

Targeting Pim Kinases and DAPK3 to Control Hypertension.
Cell chemical biology
Carlson DA, Singer MR, Sutherland C, Redondo C, Alexander LT, Hughes PF, Knapp S, Gurley SB, Sparks MA, MacDonald JA, Haystead TAJ PubMed
Oct 2018 Volume: 25 Issue: 10 Pages: 1195-1207.e32

Chemoproteomics and Chemical Probes for Target Discovery.
Trends in biotechnology
Drewes G, Knapp S PubMed
Dec 2018 Volume: 36 Issue: 12 Pages: 1275-1286

Mammary molecular portraits reveal lineage-specific features and progenitor cell vulnerabilities.
The Journal of cell biology
Casey AE, Sinha A, Singhania R, Livingstone J, Waterhouse P, Tharmapalan P, Cruickshank J, Shehata M, Drysdale E, Fang H, Kim H, Isserlin R, Bailey S, Medina T, Deblois G, Shiah YJ, Barsyte-Lovejoy D, Hofer S, Bader G, Lupien M, Arrowsmith C, Knapp S, De Carvalho D, Berman H, Boutros PC, Kislinger T, Khokha R PubMed
Aug 2018 Volume: 217 Issue: 8 Pages: 2951-2974

STK3 is a therapeutic target for a subset of acute myeloid leukemias.
Oncotarget
Camgoz A, Paszkowski-Rogacz M, Satpathy S, Wermke M, Hamann MV, von Bonin M, Choudhary C, Knapp S, Buchholz F PubMed
May 2018 Volume: 9 Issue: 39 Pages: 25458-25473

Large-scale analysis of water stability in bromodomain binding pockets with grand canonical Monte Carlo.
Communications chemistry
Aldeghi M, Ross GA, Bodkin MJ, Essex JW, Knapp S, Biggin PC PubMed
Apr 2018 Volume: 1 Issue: Pages:

Development, Optimization, and Structure-Activity Relationships of Covalent-Reversible JAK3 Inhibitors Based on a Tricyclic Imidazo[5,4- d]pyrrolo[2,3- b]pyridine Scaffold.
Journal of medicinal chemistry
Forster M, Chaikuad A, Dimitrov T, Döring E, Holstein J, Berger BT, Gehringer M, Ghoreschi K, Müller S, Knapp S, Laufer SA PubMed
Jun 2018 Volume: 61 Issue: 12 Pages: 5350-5366

Molecular structures of cdc2-like kinases in complex with a new inhibitor chemotype.
PloS one
Walter A, Chaikuad A, Helmer R, Loaëc N, Preu L, Ott I, Knapp S, Meijer L, Kunick C PubMed
2018 Volume: 13 Issue: 5 Pages: e0196761

Co-targeting of BET proteins and HDACs as a novel approach to trigger apoptosis in rhabdomyosarcoma cells.
Cancer letters
Enßle JC, Boedicker C, Wanior M, Vogler M, Knapp S, Fulda S PubMed
Aug 2018 Volume: 428 Issue: Pages: 160-172

Donated chemical probes for open science.
eLife
Müller S, Ackloo S, Arrowsmith CH, Bauser M, Baryza JL, Blagg J, Böttcher J, Bountra C, Brown PJ, Bunnage ME, Carter AJ, Damerell D, Dötsch V, Drewry DH, Edwards AM, Edwards J, Elkins JM, Fischer C, Frye SV, Gollner A, Grimshaw CE, IJzerman A, Hanke T, Hartung IV, Hitchcock S, Howe T, Hughes TV, Laufer S, Li VM, Liras S, Marsden BD, Matsui H, Mathias J, O'Hagan RC, Owen DR, Pande V, Rauh D, Rosenberg SH, Roth BL, Schneider NS, Scholten C, Singh Saikatendu K, Simeonov A, Takizawa M, Tse C, Tho... PubMed
Apr 2018 Volume: 7 Issue: Pages:

A Pseudo-Kinase Double Act.
Structure (London, England : 1993)
Preuß F, Mathea S, Knapp S PubMed
Apr 2018 Volume: 26 Issue: 4 Pages: 527-528

Halogen-Aromatic π Interactions Modulate Inhibitor Residence Times.
Angewandte Chemie (International ed. in English)
Heroven C, Georgi V, Ganotra GK, Brennan P, Wolfreys F, Wade RC, Fernández-Montalván AE, Chaikuad A, Knapp S PubMed
Jun 2018 Volume: 57 Issue: 24 Pages: 7220-7224

Identifying Small-Molecule Binding Sites for Epigenetic Proteins at Domain-Domain Interfaces.
ChemMedChem
Bowkett D, Talon R, Tallant C, Schofield C, von Delft F, Knapp S, Bruton G, Brennan PE PubMed
May 2018 Volume: 13 Issue: 10 Pages: 1051-1057

BET-inhibition by JQ1 promotes proliferation and self-renewal capacity of hematopoietic stem cells.
Haematologica
Wroblewski M, Scheller-Wendorff M, Udonta F, Bauer R, Schlichting J, Zhao L, Ben Batalla I, Gensch V, Päsler S, Wu L, Wanior M, Taipaleenmäki H, Bolamperti S, Najafova Z, Pantel K, Bokemeyer C, Qi J, Hesse E, Knapp S, Johnsen S, Loges S PubMed
Jun 2018 Volume: 103 Issue: 6 Pages: 939-948

Discovery of a novel allosteric inhibitor scaffold for polyadenosine-diphosphate-ribose polymerase 14 (PARP14) macrodomain 2.
Bioorganic & medicinal chemistry
Moustakim M, Riedel K, Schuller M, Gehring AP, Monteiro OP, Martin SP, Fedorov O, Heer J, Dixon DJ, Elkins JM, Knapp S, Bracher F, Brennan PE PubMed
Jul 2018 Volume: 26 Issue: 11 Pages: 2965-2972

Quantitative Characterization of Bivalent Probes for a Dual Bromodomain Protein, Transcription Initiation Factor TFIID Subunit 1.
Biochemistry
Suh JL, Watts B, Stuckey JI, Norris-Drouin JL, Cholensky SH, Dickson BM, An Y, Mathea S, Salah E, Knapp S, Khan A, Adams AT, Strahl BD, Sagum CA, Bedford MT, James LI, Kireev DB, Frye SV PubMed
Apr 2018 Volume: 57 Issue: 14 Pages: 2140-2149

New opportunities for kinase drug repurposing and target discovery.
British journal of cancer
Knapp S PubMed
Apr 2018 Volume: 118 Issue: 7 Pages: 936-937

Oocyte DNA damage quality control requires consecutive interplay of CHK2 and CK1 to activate p63.
Nature structural & molecular biology
Tuppi M, Kehrloesser S, Coutandin DW, Rossi V, Luh LM, Strubel A, Hötte K, Hoffmeister M, Schäfer B, De Oliveira T, Greten F, Stelzer EHK, Knapp S, De Felici M, Behrends C, Klinger FG, Dötsch V PubMed
Mar 2018 Volume: 25 Issue: 3 Pages: 261-269

Tuning microtubule dynamics to enhance cancer therapy by modulating FER-mediated CRMP2 phosphorylation.
Nature communications
Zheng Y, Sethi R, Mangala LS, Taylor C, Goldsmith J, Wang M, Masuda K, Carrami EM, Mannion D, Miranda F, Herrero-Gonzalez S, Hellner K, Chen F, Alsaadi A, Albukhari A, Fotso DC, Yau C, Jiang D, Pradeep S, Rodriguez-Aguayo C, Lopez-Berestein G, Knapp S, Gray NS, Campo L, Myers KA, Dhar S, Ferguson D, Bast RC, Sood AK, von Delft F, Ahmed AA PubMed
Feb 2018 Volume: 9 Issue: 1 Pages: 476

An AKAP-Lbc-RhoA interaction inhibitor promotes the translocation of aquaporin-2 to the plasma membrane of renal collecting duct principal cells.
PloS one
Schrade K, Tröger J, Eldahshan A, Zühlke K, Abdul Azeez KR, Elkins JM, Neuenschwander M, Oder A, Elkewedi M, Jaksch S, Andrae K, Li J, Fernandes J, Müller PM, Grunwald S, Marino SF, Vukićević T, Eichhorst J, Wiesner B, Weber M, Kapiloff M, Rocks O, Daumke O, Wieland T, Knapp S, von Kries JP, Klussmann E PubMed
2018 Volume: 13 Issue: 1 Pages: e0191423

Quantitative, Wide-Spectrum Kinase Profiling in Live Cells for Assessing the Effect of Cellular ATP on Target Engagement.
Cell chemical biology
Vasta JD, Corona CR, Wilkinson J, Zimprich CA, Hartnett JR, Ingold MR, Zimmerman K, Machleidt T, Kirkland TA, Huwiler KG, Ohana RF, Slater M, Otto P, Cong M, Wells CI, Berger BT, Hanke T, Glas C, Ding K, Drewry DH, Huber KVM, Willson TM, Knapp S, Müller S, Meisenheimer PL, Fan F, Wood KV, Robers MB PubMed
Feb 2018 Volume: 25 Issue: 2 Pages: 206-214.e11

Exploiting a water network to achieve enthalpy-driven, bromodomain-selective BET inhibitors.
Bioorganic & medicinal chemistry
Shadrick WR, Slavish PJ, Chai SC, Waddell B, Connelly M, Low JA, Tallant C, Young BM, Bharatham N, Knapp S, Boyd VA, Morfouace M, Roussel MF, Chen T, Lee RE, Kiplin Guy R, Shelat AA, Potter PM PubMed
Jan 2018 Volume: 26 Issue: 1 Pages: 25-36

Pharmacoproteomic characterisation of human colon and rectal cancer.
Molecular systems biology
Frejno M, Zenezini Chiozzi R, Wilhelm M, Koch H, Zheng R, Klaeger S, Ruprecht B, Meng C, Kramer K, Jarzab A, Heinzlmeir S, Johnstone E, Domingo E, Kerr D, Jesinghaus M, Slotta-Huspenina J, Weichert W, Knapp S, Feller SM, Kuster B PubMed
Nov 2017 Volume: 13 Issue: 11 Pages: 951

Dietary Compound Resveratrol Is a Pan-BET Bromodomain Inhibitor.
Nutrients
Dutra LA, Heidenreich D, Silva GDBD, Man Chin C, Knapp S, Santos JLD PubMed
Oct 2017 Volume: 9 Issue: 11 Pages:

The Cysteinome of Protein Kinases as a Target in Drug Development.
Angewandte Chemie (International ed. in English)
Chaikuad A, Koch P, Laufer SA, Knapp S PubMed
Apr 2018 Volume: 57 Issue: 16 Pages: 4372-4385

Discovery of a Selective Allosteric Inhibitor Targeting Macrodomain 2 of Polyadenosine-Diphosphate-Ribose Polymerase 14.
ACS chemical biology
Schuller M, Riedel K, Gibbs-Seymour I, Uth K, Sieg C, Gehring AP, Ahel I, Bracher F, Kessler BM, Elkins JM, Knapp S PubMed
Nov 2017 Volume: 12 Issue: 11 Pages: 2866-2874

Corrigendum: Alternative splicing promotes tumour aggressiveness and drug resistance in African American prostate cancer.
Nature communications
Wang BD, Ceniccola K, Hwang S, Andrawis R, Horvath A, Freedman JA, Olender J, Knapp S, Ching T, Garmire L, Patel V, Garcia-Blanco MA, Patierno SR, Lee NH PubMed
Sep 2017 Volume: 8 Issue: Pages: 16161

Selective Targeting of Bromodomains of the Bromodomain-PHD Fingers Family Impairs Osteoclast Differentiation.
ACS chemical biology
Meier JC, Tallant C, Fedorov O, Witwicka H, Hwang SY, van Stiphout RG, Lambert JP, Rogers C, Yapp C, Gerstenberger BS, Fedele V, Savitsky P, Heidenreich D, Daniels DL, Owen DR, Fish PV, Igoe NM, Bayle ED, Haendler B, Oppermann UCT, Buffa F, Brennan PE, Müller S, Gingras AC, Odgren PR, Birnbaum MJ, Knapp S PubMed
Oct 2017 Volume: 12 Issue: 10 Pages: 2619-2630

Characterization of a highly selective inhibitor of the Aurora kinases.
Bioorganic & medicinal chemistry letters
Ferguson FM, Doctor ZM, Chaikuad A, Sim T, Kim ND, Knapp S, Gray NS PubMed
Sep 2017 Volume: 27 Issue: 18 Pages: 4405-4408

Statistical Analysis on the Performance of Molecular Mechanics Poisson-Boltzmann Surface Area versus Absolute Binding Free Energy Calculations: Bromodomains as a Case Study.
Journal of chemical information and modeling
Aldeghi M, Bodkin MJ, Knapp S, Biggin PC PubMed
Sep 2017 Volume: 57 Issue: 9 Pages: 2203-2221

Progress towards a public chemogenomic set for protein kinases and a call for contributions.
PloS one
Drewry DH, Wells CI, Andrews DM, Angell R, Al-Ali H, Axtman AD, Capuzzi SJ, Elkins JM, Ettmayer P, Frederiksen M, Gileadi O, Gray N, Hooper A, Knapp S, Laufer S, Luecking U, Michaelides M, Müller S, Muratov E, Denny RA, Saikatendu KS, Treiber DK, Zuercher WJ, Willson TM PubMed
2017 Volume: 12 Issue: 8 Pages: e0181585

F NMR isotropic chemical shift for efficient screening of fluorinated fragments which are racemates and/or display multiple conformers.
Magnetic resonance in chemistry : MRC
Dalvit C, Knapp S PubMed
Dec 2017 Volume: 55 Issue: 12 Pages: 1091-1095

DYRK1B mutations associated with metabolic syndrome impair the chaperone-dependent maturation of the kinase domain.
Scientific reports
Abu Jhaisha S, Widowati EW, Kii I, Sonamoto R, Knapp S, Papadopoulos C, Becker W PubMed
Jul 2017 Volume: 7 Issue: 1 Pages: 6420

Design of a Chemical Probe for the Bromodomain and Plant Homeodomain Finger-Containing (BRPF) Family of Proteins.
Journal of medicinal chemistry
Igoe N, Bayle ED, Tallant C, Fedorov O, Meier JC, Savitsky P, Rogers C, Morias Y, Scholze S, Boyd H, Cunoosamy D, Andrews DM, Cheasty A, Brennan PE, Müller S, Knapp S, Fish PV PubMed
Aug 2017 Volume: 60 Issue: 16 Pages: 6998-7011

NEK1 kinase domain structure and its dynamic protein interactome after exposure to Cisplatin.
Scientific reports
Melo-Hanchuk TD, Slepicka PF, Meirelles GV, Basei FL, Lovato DV, Granato DC, Pauletti BA, Domingues RR, Leme AFP, Pelegrini AL, Lenz G, Knapp S, Elkins JM, Kobarg J PubMed
Jul 2017 Volume: 7 Issue: 1 Pages: 5445

Alternative splicing promotes tumour aggressiveness and drug resistance in African American prostate cancer.
Nature communications
Wang BD, Ceniccola K, Hwang S, Andrawis R, Horvath A, Freedman JA, Olender J, Knapp S, Ching T, Garmire L, Patel V, Garcia-Blanco MA, Patierno SR, Lee NH PubMed
Jun 2017 Volume: 8 Issue: Pages: 15921

Structures of PGAM5 Provide Insight into Active Site Plasticity and Multimeric Assembly.
Structure (London, England : 1993)
Chaikuad A, Filippakopoulos P, Marcsisin SR, Picaud S, Schröder M, Sekine S, Ichijo H, Engen JR, Takeda K, Knapp S PubMed
Jul 2017 Volume: 25 Issue: 7 Pages: 1089-1099.e3

Androgen Receptor Deregulation Drives Bromodomain-Mediated Chromatin Alterations in Prostate Cancer.
Cell reports
Urbanucci A, Barfeld SJ, Kytölä V, Itkonen HM, Coleman IM, Vodák D, Sjöblom L, Sheng X, Tolonen T, Minner S, Burdelski C, Kivinummi KK, Kohvakka A, Kregel S, Takhar M, Alshalalfa M, Davicioni E, Erho N, Lloyd P, Karnes RJ, Ross AE, Schaeffer EM, Vander Griend DJ, Knapp S, Corey E, Feng FY, Nelson PS, Saatcioglu F, Knudsen KE, Tammela TLJ, Sauter G, Schlomm T, Nykter M, Visakorpi T, Mills IG PubMed
Jun 2017 Volume: 19 Issue: 10 Pages: 2045-2059

A Specific and Covalent JNK-1 Ligand Selected from an Encoded Self-Assembling Chemical Library.
Chemistry (Weinheim an der Bergstrasse, Germany)
Zimmermann G, Rieder U, Bajic D, Vanetti S, Chaikuad A, Knapp S, Scheuermann J, Mattarella M, Neri D PubMed
Jun 2017 Volume: 23 Issue: 34 Pages: 8152-8155

Hyperactive locomotion in a model is a functional readout for the synaptic abnormalities underlying fragile X syndrome.
Science signaling
Kashima R, Redmond PL, Ghatpande P, Roy S, Kornberg TB, Hanke T, Knapp S, Lagna G, Hata A PubMed
May 2017 Volume: 10 Issue: 477 Pages:

Thiazolidine derivatives as potent and selective inhibitors of the PIM kinase family.
Bioorganic & medicinal chemistry
Bataille CJ, Brennan MB, Byrne S, Davies SG, Durbin M, Fedorov O, Huber KV, Jones AM, Knapp S, Liu G, Nadali A, Quevedo CE, Russell AJ, Walker RG, Westwood R, Wynne GM PubMed
May 2017 Volume: 25 Issue: 9 Pages: 2657-2665

Development of Potent, Selective SRPK1 Inhibitors as Potential Topical Therapeutics for Neovascular Eye Disease.
ACS chemical biology
Batson J, Toop HD, Redondo C, Babaei-Jadidi R, Chaikuad A, Wearmouth SF, Gibbons B, Allen C, Tallant C, Zhang J, Du C, Hancox JC, Hawtrey T, Da Rocha J, Griffith R, Knapp S, Bates DO, Morris JC PubMed
Mar 2017 Volume: 12 Issue: 3 Pages: 825-832

Design of a Biased Potent Small Molecule Inhibitor of the Bromodomain and PHD Finger-Containing (BRPF) Proteins Suitable for Cellular and in Vivo Studies.
Journal of medicinal chemistry
Igoe N, Bayle ED, Fedorov O, Tallant C, Savitsky P, Rogers C, Owen DR, Deb G, Somervaille TC, Andrews DM, Jones N, Cheasty A, Ryder H, Brennan PE, Müller S, Knapp S, Fish PV PubMed
Jan 2017 Volume: 60 Issue: 2 Pages: 668-680

Predictions of Ligand Selectivity from Absolute Binding Free Energy Calculations.
Journal of the American Chemical Society
Aldeghi M, Heifetz A, Bodkin MJ, Knapp S, Biggin PC PubMed
Jan 2017 Volume: 139 Issue: 2 Pages: 946-957

Identification of CLK1 Inhibitors by a Fragment-linking Based Virtual Screening.
Molecular informatics
Walter A, Chaikuad A, Loaëc N, Preu L, Knapp S, Meijer L, Kunick C, Koch O PubMed
Apr 2017 Volume: 36 Issue: 4 Pages:

Discovery of New Bromodomain Scaffolds by Biosensor Fragment Screening.
ACS medicinal chemistry letters
Navratilova I, Aristotelous T, Picaud S, Chaikuad A, Knapp S, Filappakopoulos P, Hopkins AL PubMed
Dec 2016 Volume: 7 Issue: 12 Pages: 1213-1218

CBP/p300 Bromodomains Regulate Amyloid-like Protein Aggregation upon Aberrant Lysine Acetylation.
Cell chemical biology
Olzscha H, Fedorov O, Kessler BM, Knapp S, La Thangue NB PubMed
Jan 2017 Volume: 24 Issue: 1 Pages: 9-23

BRD4 promotes p63 and GRHL3 expression downstream of FOXO in mammary epithelial cells.
Nucleic acids research
Nagarajan S, Bedi U, Budida A, Hamdan FH, Mishra VK, Najafova Z, Xie W, Alawi M, Indenbirken D, Knapp S, Chiang CM, Grundhoff A, Kari V, Scheel CH, Wegwitz F, Johnsen SA PubMed
Apr 2017 Volume: 45 Issue: 6 Pages: 3130-3145

Discovery of a PCAF Bromodomain Chemical Probe.
Angewandte Chemie (International ed. in English)
Moustakim M, Clark PG, Trulli L, Fuentes de Arriba AL, Ehebauer MT, Chaikuad A, Murphy EJ, Mendez-Johnson J, Daniels D, Hou CD, Lin YH, Walker JR, Hui R, Yang H, Dorrell L, Rogers CM, Monteiro OP, Fedorov O, Huber KV, Knapp S, Heer J, Dixon DJ, Brennan PE PubMed
Jan 2017 Volume: 56 Issue: 3 Pages: 827-831

Restoring p53 Function in Human Melanoma Cells by Inhibiting MDM2 and Cyclin B1/CDK1-Phosphorylated Nuclear iASPP.
Cancer cell
Lu M, Breyssens H, Salter V, Zhong S, Hu Y, Baer C, Ratnayaka I, Sullivan A, Brown NR, Endicott J, Knapp S, Kessler BM, Middleton MR, Siebold C, Jones EY, Sviderskaya EV, Cebon J, John T, Caballero OL, Goding CR, Lu X PubMed
Nov 2016 Volume: 30 Issue: 5 Pages: 822-823

Selective JAK3 Inhibitors with a Covalent Reversible Binding Mode Targeting a New Induced Fit Binding Pocket.
Cell chemical biology
Forster M, Chaikuad A, Bauer SM, Holstein J, Robers MB, Corona CR, Gehringer M, Pfaffenrot E, Ghoreschi K, Knapp S, Laufer SA PubMed
Nov 2016 Volume: 23 Issue: 11 Pages: 1335-1340

An Unusual Binding Model of the Methyl 9-Anilinothiazolo[5,4-f] quinazoline-2-carbimidates (EHT 1610 and EHT 5372) Confers High Selectivity for Dual-Specificity Tyrosine Phosphorylation-Regulated Kinases.
Journal of medicinal chemistry
Chaikuad A, Diharce J, Schröder M, Foucourt A, Leblond B, Casagrande AS, Désiré L, Bonnet P, Knapp S, Besson T PubMed
Nov 2016 Volume: 59 Issue: 22 Pages: 10315-10321

Promiscuous targeting of bromodomains by bromosporine identifies BET proteins as master regulators of primary transcription response in leukemia.
Science advances
Picaud S, Leonards K, Lambert JP, Dovey O, Wells C, Fedorov O, Monteiro O, Fujisawa T, Wang CY, Lingard H, Tallant C, Nikbin N, Guetzoyan L, Ingham R, Ley SV, Brennan P, Muller S, Samsonova A, Gingras AC, Schwaller J, Vassiliou G, Knapp S, Filippakopoulos P PubMed
Oct 2016 Volume: 2 Issue: 10 Pages: e1600760

Mechanism of TAp73 inhibition by ΔNp63 and structural basis of p63/p73 hetero-tetramerization.
Cell death and differentiation
Gebel J, Luh LM, Coutandin D, Osterburg C, Löhr F, Schäfer B, Frombach AS, Sumyk M, Buchner L, Krojer T, Salah E, Mathea S, Güntert P, Knapp S, Dötsch V PubMed
Dec 2016 Volume: 23 Issue: 12 Pages: 1930-1940

The MAPK Pathway Regulates Intrinsic Resistance to BET Inhibitors in Colorectal Cancer.
Clinical cancer research : an official journal of the American Association for Cancer Research
Ma Y, Wang L, Neitzel LR, Loganathan SN, Tang N, Qin L, Crispi EE, Guo Y, Knapp S, Beauchamp RD, Lee E, Wang J PubMed
Apr 2017 Volume: 23 Issue: 8 Pages: 2027-2037

Development of Selective CBP/P300 Benzoxazepine Bromodomain Inhibitors.
Journal of medicinal chemistry
Popp TA, Tallant C, Rogers C, Fedorov O, Brennan PE, Müller S, Knapp S, Bracher F PubMed
Oct 2016 Volume: 59 Issue: 19 Pages: 8889-8912

BRD4 localization to lineage-specific enhancers is associated with a distinct transcription factor repertoire.
Nucleic acids research
Najafova Z, Tirado-Magallanes R, Subramaniam M, Hossan T, Schmidt G, Nagarajan S, Baumgart SJ, Mishra VK, Bedi U, Hesse E, Knapp S, Hawse JR, Johnsen SA PubMed
Jan 2017 Volume: 45 Issue: 1 Pages: 127-141

Thermodynamic properties of leukotriene A hydrolase inhibitors.
Bioorganic & medicinal chemistry
Wittmann SK, Kalinowsky L, Kramer JS, Bloecher R, Knapp S, Steinhilber D, Pogoryelov D, Proschak E, Heering J PubMed
Nov 2016 Volume: 24 Issue: 21 Pages: 5243-5248

Discovery and Optimization of a Selective Ligand for the Switch/Sucrose Nonfermenting-Related Bromodomains of Polybromo Protein-1 by the Use of Virtual Screening and Hydration Analysis.
Journal of medicinal chemistry
Myrianthopoulos V, Gaboriaud-Kolar N, Tallant C, Hall ML, Grigoriou S, Brownlee PM, Fedorov O, Rogers C, Heidenreich D, Wanior M, Drosos N, Mexia N, Savitsky P, Bagratuni T, Kastritis E, Terpos E, Filippakopoulos P, Müller S, Skaltsounis AL, Downs JA, Knapp S, Mikros E PubMed
Oct 2016 Volume: 59 Issue: 19 Pages: 8787-8803

Salt-Inducible Kinase 2 Couples Ovarian Cancer Cell Metabolism with Survival at the Adipocyte-Rich Metastatic Niche.
Cancer cell
Miranda F, Mannion D, Liu S, Zheng Y, Mangala LS, Redondo C, Herrero-Gonzalez S, Xu R, Taylor C, Chedom DF, Carrami EM, Albukhari A, Jiang D, Pradeep S, Rodriguez-Aguayo C, Lopez-Berestein G, Salah E, Abdul Azeez KR, Elkins JM, Campo L, Myers KA, Klotz D, Bivona S, Dhar S, Bast RC, Saya H, Choi HG, Gray NS, Fischer R, Kessler BM, Yau C, Sood AK, Motohara T, Knapp S, Ahmed AA PubMed
Aug 2016 Volume: 30 Issue: 2 Pages: 273-289

Effect of BET Missense Mutations on Bromodomain Function, Inhibitor Binding and Stability.
PloS one
Lori L, Pasquo A, Lori C, Petrosino M, Chiaraluce R, Tallant C, Knapp S, Consalvi V PubMed
2016 Volume: 11 Issue: 7 Pages: e0159180

LP99: Discovery and Synthesis of the First Selective BRD7/9 Bromodomain Inhibitor.
Angewandte Chemie (Weinheim an der Bergstrasse, Germany)
Clark PG, Vieira LC, Tallant C, Fedorov O, Singleton DC, Rogers CM, Monteiro OP, Bennett JM, Baronio R, Müller S, Daniels DL, Méndez J, Knapp S, Brennan PE, Dixon DJ PubMed
May 2015 Volume: 127 Issue: 21 Pages: 6315-6319

Cardiac myosin light chain is phosphorylated by Ca2+/calmodulin-dependent and -independent kinase activities.
Proceedings of the National Academy of Sciences of the United States of America
Chang AN, Mahajan P, Knapp S, Barton H, Sweeney HL, Kamm KE, Stull JT PubMed
Jul 2016 Volume: 113 Issue: 27 Pages: E3824-33

BET inhibition as a new strategy for the treatment of gastric cancer.
Oncotarget
Montenegro RC, Clark PG, Howarth A, Wan X, Ceroni A, Siejka P, Nunez-Alonso GA, Monteiro O, Rogers C, Gamble V, Burbano R, Brennan PE, Tallant C, Ebner D, Fedorov O, O'Neill E, Knapp S, Dixon D, Müller S PubMed
Jul 2016 Volume: 7 Issue: 28 Pages: 43997-44012

Protein-Protein Interaction Inhibition (2P2I)-Oriented Chemical Library Accelerates Hit Discovery.
ACS chemical biology
Milhas S, Raux B, Betzi S, Derviaux C, Roche P, Restouin A, Basse MJ, Rebuffet E, Lugari A, Badol M, Kashyap R, Lissitzky JC, Eydoux C, Hamon V, Gourdel ME, Combes S, Zimmermann P, Aurrand-Lions M, Roux T, Rogers C, Müller S, Knapp S, Trinquet E, Collette Y, Guillemot JC, Morelli X PubMed
Aug 2016 Volume: 11 Issue: 8 Pages: 2140-8

Mapping the chemical chromatin reactivation landscape identifies BRD4-TAF1 cross-talk.
Nature chemical biology
Sdelci S, Lardeau CH, Tallant C, Klepsch F, Klaiber B, Bennett J, Rathert P, Schuster M, Penz T, Fedorov O, Superti-Furga G, Bock C, Zuber J, Huber KV, Knapp S, Müller S, Kubicek S PubMed
Jul 2016 Volume: 12 Issue: 7 Pages: 504-10

Co-crystal structures of the protein kinase haspin with bisubstrate inhibitors.
Acta crystallographica. Section F, Structural biology communications
Lavogina D, Kestav K, Chaikuad A, Heroven C, Knapp S, Uri A PubMed
May 2016 Volume: 72 Issue: Pt 5 Pages: 339-45

Discovery of pyrido[3,4-g]quinazoline derivatives as CMGC family protein kinase inhibitors: Design, synthesis, inhibitory potency and X-ray co-crystal structure.
European journal of medicinal chemistry
Esvan YJ, Zeinyeh W, Boibessot T, Nauton L, Théry V, Knapp S, Chaikuad A, Loaëc N, Meijer L, Anizon F, Giraud F, Moreau P PubMed
Aug 2016 Volume: 118 Issue: Pages: 170-7

Identification and Development of 2,3-Dihydropyrrolo[1,2-a]quinazolin-5(1H)-one Inhibitors Targeting Bromodomains within the Switch/Sucrose Nonfermenting Complex.
Journal of medicinal chemistry
Sutherell CL, Tallant C, Monteiro OP, Yapp C, Fuchs JE, Fedorov O, Siejka P, Müller S, Knapp S, Brenton JD, Brennan PE, Ley SV PubMed
May 2016 Volume: 59 Issue: 10 Pages: 5095-101

Identification of a Chemical Probe for Family VIII Bromodomains through Optimization of a Fragment Hit.
Journal of medicinal chemistry
Gerstenberger BS, Trzupek JD, Tallant C, Fedorov O, Filippakopoulos P, Brennan PE, Fedele V, Martin S, Picaud S, Rogers C, Parikh M, Taylor A, Samas B, O'Mahony A, Berg E, Pallares G, Torrey AD, Treiber DK, Samardjiev IJ, Nasipak BT, Padilla-Benavides T, Wu Q, Imbalzano AN, Nickerson JA, Bunnage ME, Müller S, Knapp S, Owen DR PubMed
May 2016 Volume: 59 Issue: 10 Pages: 4800-11

Quality control in oocytes by p63 is based on a spring-loaded activation mechanism on the molecular and cellular level.
eLife
Coutandin D, Osterburg C, Srivastav RK, Sumyk M, Kehrloesser S, Gebel J, Tuppi M, Hannewald J, Schäfer B, Salah E, Mathea S, Müller-Kuller U, Doutch J, Grez M, Knapp S, Dötsch V PubMed
Mar 2016 Volume: 5 Issue: Pages:

Structure of the Human Protein Kinase ZAK in Complex with Vemurafenib.
ACS chemical biology
Mathea S, Abdul Azeez KR, Salah E, Tallant C, Wolfreys F, Konietzny R, Fischer R, Lou HJ, Brennan PE, Schnapp G, Pautsch A, Kessler BM, Turk BE, Knapp S PubMed
Jun 2016 Volume: 11 Issue: 6 Pages: 1595-602

Citrullination-acetylation interplay guides E2F-1 activity during the inflammatory response.
Science advances
Ghari F, Quirke AM, Munro S, Kawalkowska J, Picaud S, McGouran J, Subramanian V, Muth A, Williams R, Kessler B, Thompson PR, Fillipakopoulos P, Knapp S, Venables PJ, La Thangue NB PubMed
Feb 2016 Volume: 2 Issue: 2 Pages: e1501257

The Intersection of Structural and Chemical Biology - An Essential Synergy.
Cell chemical biology
Zuercher WJ, Elkins JM, Knapp S PubMed
Jan 2016 Volume: 23 Issue: 1 Pages: 173-182

Structure-Based Design of an in Vivo Active Selective BRD9 Inhibitor.
Journal of medicinal chemistry
Martin LJ, Koegl M, Bader G, Cockcroft XL, Fedorov O, Fiegen D, Gerstberger T, Hofmann MH, Hohmann AF, Kessler D, Knapp S, Knesl P, Kornigg S, Müller S, Nar H, Rogers C, Rumpel K, Schaaf O, Steurer S, Tallant C, Vakoc CR, Zeeb M, Zoephel A, Pearson M, Boehmelt G, McConnell D PubMed
May 2016 Volume: 59 Issue: 10 Pages: 4462-75

Family-wide Structural Analysis of Human Numb-Associated Protein Kinases.
Structure (London, England : 1993)
Sorrell FJ, Szklarz M, Abdul Azeez KR, Elkins JM, Knapp S PubMed
Mar 2016 Volume: 24 Issue: 3 Pages: 401-11

Accurate calculation of the absolute free energy of binding for drug molecules.
Chemical science
Aldeghi M, Heifetz A, Bodkin MJ, Knapp S, Biggin PC PubMed
Jan 2016 Volume: 7 Issue: 1 Pages: 207-218

Exploring Selective Inhibition of the First Bromodomain of the Human Bromodomain and Extra-terminal Domain (BET) Proteins.
Journal of medicinal chemistry
Raux B, Voitovich Y, Derviaux C, Lugari A, Rebuffet E, Milhas S, Priet S, Roux T, Trinquet E, Guillemot JC, Knapp S, Brunel JM, Fedorov AY, Collette Y, Roche P, Betzi S, Combes S, Morelli X PubMed
Feb 2016 Volume: 59 Issue: 4 Pages: 1634-41

Structure-Based Identification of Inhibitory Fragments Targeting the p300/CBP-Associated Factor Bromodomain.
Journal of medicinal chemistry
Chaikuad A, Lang S, Brennan PE, Temperini C, Fedorov O, Hollander J, Nachane R, Abell C, Müller S, Siegal G, Knapp S PubMed
Feb 2016 Volume: 59 Issue: 4 Pages: 1648-53

Selective targeting of the BRG/PB1 bromodomains impairs embryonic and trophoblast stem cell maintenance.
Science advances
Fedorov O, Castex J, Tallant C, Owen DR, Martin S, Aldeghi M, Monteiro O, Filippakopoulos P, Picaud S, Trzupek JD, Gerstenberger BS, Bountra C, Willmann D, Wells C, Philpott M, Rogers C, Biggin PC, Brennan PE, Bunnage ME, Schüle R, Günther T, Knapp S, Müller S PubMed
Nov 2015 Volume: 1 Issue: 10 Pages: e1500723

Generation of a Selective Small Molecule Inhibitor of the CBP/p300 Bromodomain for Leukemia Therapy.
Cancer research
Picaud S, Fedorov O, Thanasopoulou A, Leonards K, Jones K, Meier J, Olzscha H, Monteiro O, Martin S, Philpott M, Tumber A, Filippakopoulos P, Yapp C, Wells C, Che KH, Bannister A, Robson S, Kumar U, Parr N, Lee K, Lugo D, Jeffrey P, Taylor S, Vecellio ML, Bountra C, Brennan PE, O'Mahony A, Velichko S, Müller S, Hay D, Daniels DL, Urh M, La Thangue NB, Kouzarides T, Prinjha R, Schwaller J, Knapp S PubMed
Dec 2015 Volume: 75 Issue: 23 Pages: 5106-5119

Emerging Target Families: Intractable Targets.
Handbook of experimental pharmacology
Knapp S PubMed
2016 Volume: 232 Issue: Pages: 43-58

Comprehensive characterization of the Published Kinase Inhibitor Set.
Nature biotechnology
Elkins JM, Fedele V, Szklarz M, Abdul Azeez KR, Salah E, Mikolajczyk J, Romanov S, Sepetov N, Huang XP, Roth BL, Al Haj Zen A, Fourches D, Muratov E, Tropsha A, Morris J, Teicher BA, Kunkel M, Polley E, Lackey KE, Atkinson FL, Overington JP, Bamborough P, Müller S, Price DJ, Willson TM, Drewry DH, Knapp S, Zuercher WJ PubMed
Jan 2016 Volume: 34 Issue: 1 Pages: 95-103

Corrigendum: The promise and peril of chemical probes.
Nature chemical biology
Arrowsmith CH, Audia JE, Austin C, Baell J, Bennett J, Blagg J, Bountra C, Brennan PE, Brown PJ, Bunnage ME, Buser-Doepner C, Campbell RM, Carter AJ, Cohen P, Copeland RA, Cravatt B, Dahlin JL, Dhanak D, Edwards AM, Frederiksen M, Frye SV, Gray N, Grimshaw CE, Hepworth D, Howe T, Huber KV, Jin J, Knapp S, Kotz JD, Kruger RG, Lowe D, Mader MM, Marsden B, Mueller-Fahrnow A, Müller S, O'Hagan RC, Overington JP, Owen DR, Rosenberg SH, Ross R, Roth B, Schapira M, Schreiber SL, Shoichet B, Sundström... PubMed
Nov 2015 Volume: 11 Issue: 11 Pages: 887

The ins and outs of selective kinase inhibitor development.
Nature chemical biology
Müller S, Chaikuad A, Gray NS, Knapp S PubMed
Nov 2015 Volume: 11 Issue: 11 Pages: 818-21

Atad2 is a generalist facilitator of chromatin dynamics in embryonic stem cells.
Journal of molecular cell biology
Morozumi Y, Boussouar F, Tan M, Chaikuad A, Jamshidikia M, Colak G, He H, Nie L, Petosa C, de Dieuleveult M, Curtet S, Vitte AL, Rabatel C, Debernardi A, Cosset FL, Verhoeyen E, Emadali A, Schweifer N, Gianni D, Gut M, Guardiola P, Rousseaux S, Gérard M, Knapp S, Zhao Y, Khochbin S PubMed
Aug 2016 Volume: 8 Issue: 4 Pages: 349-62

Overcoming ABCG2-mediated drug resistance with imidazo-[1,2-b]-pyridazine-based Pim1 kinase inhibitors.
Cancer chemotherapy and pharmacology
Darby RA, Unsworth A, Knapp S, Kerr ID, Callaghan R PubMed
Oct 2015 Volume: 76 Issue: 4 Pages: 853-64

A core of kinase-regulated interactomes defines the neoplastic MDSC lineage.
Oncotarget
Gato-Cañas M, Martinez de Morentin X, Blanco-Luquin I, Fernandez-Irigoyen J, Zudaire I, Liechtenstein T, Arasanz H, Lozano T, Casares N, Chaikuad A, Knapp S, Guerrero-Setas D, Escors D, Kochan G, Santamaría E PubMed
Sep 2015 Volume: 6 Issue: 29 Pages: 27160-75

Differential Recognition Preferences of the Three Src Homology 3 (SH3) Domains from the Adaptor CD2-associated Protein (CD2AP) and Direct Association with Ras and Rab Interactor 3 (RIN3).
The Journal of biological chemistry
Rouka E, Simister PC, Janning M, Kumbrink J, Konstantinou T, Muniz JR, Joshi D, O'Reilly N, Volkmer R, Ritter B, Knapp S, von Delft F, Kirsch KH, Feller SM PubMed
Oct 2015 Volume: 290 Issue: 42 Pages: 25275-92

CBP30, a selective CBP/p300 bromodomain inhibitor, suppresses human Th17 responses.
Proceedings of the National Academy of Sciences of the United States of America
Hammitzsch A, Tallant C, Fedorov O, O'Mahony A, Brennan PE, Hay DA, Martinez FO, Al-Mossawi MH, de Wit J, Vecellio M, Wells C, Wordsworth P, Müller S, Knapp S, Bowness P PubMed
Aug 2015 Volume: 112 Issue: 34 Pages: 10768-73

Defined PEG smears as an alternative approach to enhance the search for crystallization conditions and crystal-quality improvement in reduced screens.
Acta crystallographica. Section D, Biological crystallography
Chaikuad A, Knapp S, von Delft F PubMed
Aug 2015 Volume: 71 Issue: Pt 8 Pages: 1627-39

Probing the epigenome.
Nature chemical biology
Huston A, Arrowsmith CH, Knapp S, Schapira M PubMed
Aug 2015 Volume: 11 Issue: 8 Pages: 542-5

The promise and peril of chemical probes.
Nature chemical biology
Arrowsmith CH, Audia JE, Austin C, Baell J, Bennett J, Blagg J, Bountra C, Brennan PE, Brown PJ, Bunnage ME, Buser-Doepner C, Campbell RM, Carter AJ, Cohen P, Copeland RA, Cravatt B, Dahlin JL, Dhanak D, Edwards AM, Frederiksen M, Frye SV, Gray N, Grimshaw CE, Hepworth D, Howe T, Huber KV, Jin J, Knapp S, Kotz JD, Kruger RG, Lowe D, Mader MM, Marsden B, Mueller-Fahrnow A, Müller S, O'Hagan RC, Overington JP, Owen DR, Rosenberg SH, Roth B, Ross R, Schapira M, Schreiber SL, Shoichet B, Sundström... PubMed
Aug 2015 Volume: 11 Issue: 8 Pages: 536-41

Type II Inhibitors Targeting CDK2.
ACS chemical biology
Alexander LT, Möbitz H, Drueckes P, Savitsky P, Fedorov O, Elkins JM, Deane CM, Cowan-Jacob SW, Knapp S PubMed
Sep 2015 Volume: 10 Issue: 9 Pages: 2116-25

Pim Kinase Inhibitors Evaluated with a Single-Molecule Engineered Nanopore Sensor.
Angewandte Chemie (International ed. in English)
Harrington L, Alexander LT, Knapp S, Bayley H PubMed
Jul 2015 Volume: 54 Issue: 28 Pages: 8154-9

Discovery of a Chemical Tool Inhibitor Targeting the Bromodomains of TRIM24 and BRPF.
Journal of medicinal chemistry
Bennett J, Fedorov O, Tallant C, Monteiro O, Meier J, Gamble V, Savitsky P, Nunez-Alonso GA, Haendler B, Rogers C, Brennan PE, Müller S, Knapp S PubMed
Feb 2016 Volume: 59 Issue: 4 Pages: 1642-7

LP99: Discovery and Synthesis of the First Selective BRD7/9 Bromodomain Inhibitor.
Angewandte Chemie (International ed. in English)
Clark PG, Vieira LC, Tallant C, Fedorov O, Singleton DC, Rogers CM, Monteiro OP, Bennett JM, Baronio R, Müller S, Daniels DL, Méndez J, Knapp S, Brennan PE, Dixon DJ PubMed
May 2015 Volume: 54 Issue: 21 Pages: 6217-21

Perspective on computational and structural aspects of kinase discovery from IPK2014.
Biochimica et biophysica acta
Martin E, Knapp S, Engh RA, Moebitz H, Varin T, Roux B, Meiler J, Berdini V, Baumann A, Vieth M PubMed
Oct 2015 Volume: 1854 Issue: 10 Pt B Pages: 1595-604

Selective Inhibitors of Cyclin G Associated Kinase (GAK) as Anti-Hepatitis C Agents.
Journal of medicinal chemistry
Kovackova S, Chang L, Bekerman E, Neveu G, Barouch-Bentov R, Chaikuad A, Heroven C, Šála M, De Jonghe S, Knapp S, Einav S, Herdewijn P PubMed
Apr 2015 Volume: 58 Issue: 8 Pages: 3393-410

Discovery and Characterization of GSK2801, a Selective Chemical Probe for the Bromodomains BAZ2A and BAZ2B.
Journal of medicinal chemistry
Chen P, Chaikuad A, Bamborough P, Bantscheff M, Bountra C, Chung CW, Fedorov O, Grandi P, Jung D, Lesniak R, Lindon M, Müller S, Philpott M, Prinjha R, Rogers C, Selenski C, Tallant C, Werner T, Willson TM, Knapp S, Drewry DH PubMed
Feb 2016 Volume: 59 Issue: 4 Pages: 1410-24

10-iodo-11H-indolo[3,2-c]quinoline-6-carboxylic acids are selective inhibitors of DYRK1A.
Journal of medicinal chemistry
Falke H, Chaikuad A, Becker A, Loaëc N, Lozach O, Abu Jhaisha S, Becker W, Jones PG, Preu L, Baumann K, Knapp S, Meijer L, Kunick C PubMed
Apr 2015 Volume: 58 Issue: 7 Pages: 3131-43

Structure enabled design of BAZ2-ICR, a chemical probe targeting the bromodomains of BAZ2A and BAZ2B.
Journal of medicinal chemistry
Drouin L, McGrath S, Vidler LR, Chaikuad A, Monteiro O, Tallant C, Philpott M, Rogers C, Fedorov O, Liu M, Akhtar W, Hayes A, Raynaud F, Müller S, Knapp S, Hoelder S PubMed
Mar 2015 Volume: 58 Issue: 5 Pages: 2553-9

Bisubstrate inhibitor approach for targeting mitotic kinase Haspin.
Bioconjugate chemistry
Kestav K, Lavogina D, Raidaru G, Chaikuad A, Knapp S, Uri A PubMed
Feb 2015 Volume: 26 Issue: 2 Pages: 225-34

Molecular basis of histone tail recognition by human TIP5 PHD finger and bromodomain of the chromatin remodeling complex NoRC.
Structure (London, England : 1993)
Tallant C, Valentini E, Fedorov O, Overvoorde L, Ferguson FM, Filippakopoulos P, Svergun DI, Knapp S, Ciulli A PubMed
Jan 2015 Volume: 23 Issue: 1 Pages: 80-92

Crystal Structure of Sphingosine Kinase 1 with PF-543.
ACS medicinal chemistry letters
Wang J, Knapp S, Pyne NJ, Pyne S, Elkins JM PubMed
Dec 2014 Volume: 5 Issue: 12 Pages: 1329-33

Nanog requires BRD4 to maintain murine embryonic stem cell pluripotency and is suppressed by bromodomain inhibitor JQ1 together with Lefty1.
Stem cells and development
Horne GA, Stewart HJ, Dickson J, Knapp S, Ramsahoye B, Chevassut T PubMed
Apr 2015 Volume: 24 Issue: 7 Pages: 879-91

Identification and characterization of a small-molecule inhibitor of death-associated protein kinase 1.
Chembiochem : a European journal of chemical biology
Wilbek TS, Skovgaard T, Sorrell FJ, Knapp S, Berthelsen J, Strømgaard K PubMed
Jan 2015 Volume: 16 Issue: 1 Pages: 59-63

Identification and structure-function analysis of subfamily selective G protein-coupled receptor kinase inhibitors.
ACS chemical biology
Homan KT, Larimore KM, Elkins JM, Szklarz M, Knapp S, Tesmer JJ PubMed
Jan 2015 Volume: 10 Issue: 1 Pages: 310-9

A unique inhibitor binding site in ERK1/2 is associated with slow binding kinetics.
Nature chemical biology
Chaikuad A, Tacconi EM, Zimmer J, Liang Y, Gray NS, Tarsounas M, Knapp S PubMed
Oct 2014 Volume: 10 Issue: 10 Pages: 853-60

The crystal structure of the RhoA-AKAP-Lbc DH-PH domain complex.
The Biochemical journal
Abdul Azeez KR, Knapp S, Fernandes JM, Klussmann E, Elkins JM PubMed
Dec 2014 Volume: 464 Issue: 2 Pages: 231-9

Recently targeted kinases and their inhibitors-the path to clinical trials.
Current opinion in pharmacology
Knapp S, Sundström M PubMed
Aug 2014 Volume: 17 Issue: Pages: 58-63

Assessing cellular efficacy of bromodomain inhibitors using fluorescence recovery after photobleaching.
Epigenetics & chromatin
Philpott M, Rogers CM, Yapp C, Wells C, Lambert JP, Strain-Damerell C, Burgess-Brown NA, Gingras AC, Knapp S, Müller S PubMed
2014 Volume: 7 Issue: Pages: 14

Bromodomain protein BRD4 is required for estrogen receptor-dependent enhancer activation and gene transcription.
Cell reports
Nagarajan S, Hossan T, Alawi M, Najafova Z, Indenbirken D, Bedi U, Taipaleenmäki H, Ben-Batalla I, Scheller M, Loges S, Knapp S, Hesse E, Chiang CM, Grundhoff A, Johnsen SA PubMed
Jul 2014 Volume: 8 Issue: 2 Pages: 460-9

Discovery and optimization of small-molecule ligands for the CBP/p300 bromodomains.
Journal of the American Chemical Society
Hay DA, Fedorov O, Martin S, Singleton DC, Tallant C, Wells C, Picaud S, Philpott M, Monteiro OP, Rogers CM, Conway SJ, Rooney TP, Tumber A, Yapp C, Filippakopoulos P, Bunnage ME, Müller S, Knapp S, Schofield CJ, Brennan PE PubMed
Jul 2014 Volume: 136 Issue: 26 Pages: 9308-19

A comparison of protein kinases inhibitor screening methods using both enzymatic activity and binding affinity determination.
PloS one
Rudolf AF, Skovgaard T, Knapp S, Jensen LJ, Berthelsen J PubMed
2014 Volume: 9 Issue: 6 Pages: e98800

A series of potent CREBBP bromodomain ligands reveals an induced-fit pocket stabilized by a cation-π interaction.
Angewandte Chemie (International ed. in English)
Rooney TP, Filippakopoulos P, Fedorov O, Picaud S, Cortopassi WA, Hay DA, Martin S, Tumber A, Rogers CM, Philpott M, Wang M, Thompson AL, Heightman TD, Pryde DC, Cook A, Paton RS, Müller S, Knapp S, Brennan PE, Conway SJ PubMed
Jun 2014 Volume: 53 Issue: 24 Pages: 6126-30

Targeting bromodomains: epigenetic readers of lysine acetylation.
Nature reviews. Drug discovery
Filippakopoulos P, Knapp S PubMed
May 2014 Volume: 13 Issue: 5 Pages: 337-56

Modulation of the chromatin phosphoproteome by the Haspin protein kinase.
Molecular & cellular proteomics : MCP
Maiolica A, de Medina-Redondo M, Schoof EM, Chaikuad A, Villa F, Gatti M, Jeganathan S, Lou HJ, Novy K, Hauri S, Toprak UH, Herzog F, Meraldi P, Penengo L, Turk BE, Knapp S, Linding R, Aebersold R PubMed
Jul 2014 Volume: 13 Issue: 7 Pages: 1724-40

Exploration of type II binding mode: A privileged approach for kinase inhibitor focused drug discovery?
ACS chemical biology
Zhao Z, Wu H, Wang L, Liu Y, Knapp S, Liu Q, Gray NS PubMed
Jun 2014 Volume: 9 Issue: 6 Pages: 1230-41

Copper is required for oncogenic BRAF signalling and tumorigenesis.
Nature
Brady DC, Crowe MS, Turski ML, Hobbs GA, Yao X, Chaikuad A, Knapp S, Xiao K, Campbell SL, Thiele DJ, Counter CM PubMed
May 2014 Volume: 509 Issue: 7501 Pages: 492-6

Stereospecific targeting of MTH1 by (S)-crizotinib as an anticancer strategy.
Nature
Huber KV, Salah E, Radic B, Gridling M, Elkins JM, Stukalov A, Jemth AS, Göktürk C, Sanjiv K, Strömberg K, Pham T, Berglund UW, Colinge J, Bennett KL, Loizou JI, Helleday T, Knapp S, Superti-Furga G PubMed
Apr 2014 Volume: 508 Issue: 7495 Pages: 222-7

Novel approaches for targeting kinases: allosteric inhibition, allosteric activation and pseudokinases.
Future medicinal chemistry
Cowan-Jacob SW, Jahnke W, Knapp S PubMed
Apr 2014 Volume: 6 Issue: 5 Pages: 541-61

Benzoselenadiazole-based responsive long-lifetime photoluminescent probes for protein kinases.
Chemical communications (Cambridge, England)
Ekambaram R, Enkvist E, Manoharan Gb, Ugandi M, Kasari M, Viht K, Knapp S, Issinger OG, Uri A PubMed
Apr 2014 Volume: 50 Issue: 31 Pages: 4096-8

Dual kinase-bromodomain inhibitors for rationally designed polypharmacology.
Nature chemical biology
Ciceri P, Müller S, O'Mahony A, Fedorov O, Filippakopoulos P, Hunt JP, Lasater EA, Pallares G, Picaud S, Wells C, Martin S, Wodicka LM, Shah NP, Treiber DK, Knapp S PubMed
Apr 2014 Volume: 10 Issue: 4 Pages: 305-12

The structural basis of PI3K cancer mutations: from mechanism to therapy.
Cancer research
Liu S, Knapp S, Ahmed AA PubMed
Feb 2014 Volume: 74 Issue: 3 Pages: 641-6

Structure of cyclin G-associated kinase (GAK) trapped in different conformations using nanobodies.
The Biochemical journal
Chaikuad A, Keates T, Vincke C, Kaufholz M, Zenn M, Zimmermann B, Gutiérrez C, Zhang RG, Hatzos-Skintges C, Joachimiak A, Muyldermans S, Herberg FW, Knapp S, Müller S PubMed
Apr 2014 Volume: 459 Issue: 1 Pages: 59-69

Identification of a major determinant for serine-threonine kinase phosphoacceptor specificity.
Molecular cell
Chen C, Ha BH, Thévenin AF, Lou HJ, Zhang R, Yip KY, Peterson JR, Gerstein M, Kim PM, Filippakopoulos P, Knapp S, Boggon TJ, Turk BE PubMed
Jan 2014 Volume: 53 Issue: 1 Pages: 140-7

Diverse levels of sequence selectivity and catalytic efficiency of protein-tyrosine phosphatases.
Biochemistry
Selner NG, Luechapanichkul R, Chen X, Neel BG, Zhang ZY, Knapp S, Bell CE, Pei D PubMed
Jan 2014 Volume: 53 Issue: 2 Pages: 397-412

[1,2,4]triazolo[4,3-a]phthalazines: inhibitors of diverse bromodomains.
Journal of medicinal chemistry
Fedorov O, Lingard H, Wells C, Monteiro OP, Picaud S, Keates T, Yapp C, Philpott M, Martin SJ, Felletar I, Marsden BD, Filippakopoulos P, Müller S, Knapp S, Brennan PE PubMed
Jan 2014 Volume: 57 Issue: 2 Pages: 462-76

A versatile spectrophotometric protein tyrosine phosphatase assay based on 3-nitrophosphotyrosine containing substrates.
Analytical biochemistry
van Ameijde J, Overvoorde J, Knapp S, den Hertog J, Ruijtenbeek R, Liskamp RM PubMed
Mar 2014 Volume: 448 Issue: Pages: 9-13

Targeting low-druggability bromodomains: fragment based screening and inhibitor design against the BAZ2B bromodomain.
Journal of medicinal chemistry
Ferguson FM, Fedorov O, Chaikuad A, Philpott M, Muniz JR, Felletar I, von Delft F, Heightman T, Knapp S, Abell C, Ciulli A PubMed
Dec 2013 Volume: 56 Issue: 24 Pages: 10183-7

Maintenance of muscle myosin levels in adult C. elegans requires both the double bromodomain protein BET-1 and sumoylation.
Biology open
Fisher K, Gee F, Wang S, Xue F, Knapp S, Philpott M, Wells C, Rodriguez M, Snoek LB, Kammenga J, Poulin GB PubMed
Dec 2013 Volume: 2 Issue: 12 Pages: 1354-63

RVX-208, an inhibitor of BET transcriptional regulators with selectivity for the second bromodomain.
Proceedings of the National Academy of Sciences of the United States of America
Picaud S, Wells C, Felletar I, Brotherton D, Martin S, Savitsky P, Diez-Dacal B, Philpott M, Bountra C, Lingard H, Fedorov O, Müller S, Brennan PE, Knapp S, Filippakopoulos P PubMed
Dec 2013 Volume: 110 Issue: 49 Pages: 19754-9

Structural determinants for ERK5 (MAPK7) and leucine rich repeat kinase 2 activities of benzo[e]pyrimido-[5,4-b]diazepine-6(11H)-ones.
European journal of medicinal chemistry
Deng X, Elkins JM, Zhang J, Yang Q, Erazo T, Gomez N, Choi HG, Wang J, Dzamko N, Lee JD, Sim T, Kim N, Alessi DR, Lizcano JM, Knapp S, Gray NS PubMed
2013 Volume: 70 Issue: Pages: 758-67

Stochastic detection of Pim protein kinases reveals electrostatically enhanced association of a peptide substrate.
Proceedings of the National Academy of Sciences of the United States of America
Harrington L, Cheley S, Alexander LT, Knapp S, Bayley H PubMed
Nov 2013 Volume: 110 Issue: 47 Pages: E4417-26

Real-Time Monitoring of the Dephosphorylating Activity of Protein Tyrosine Phosphatases Using Microarrays with 3-Nitrophosphotyrosine Substrates.
ChemPlusChem
van Ameijde J, Overvoorde J, Knapp S, den Hertog J, Ruijtenbeek R, Liskamp RMJ PubMed
Nov 2013 Volume: 78 Issue: 11 Pages: 1349-1357

Small-molecule modulators for epigenetics targets.
ChemMedChem
Knapp S, Weinmann H PubMed
Nov 2013 Volume: 8 Issue: 11 Pages: 1885-91

Highly functionalized terpyridines as competitive inhibitors of AKAP-PKA interactions.
Angewandte Chemie (International ed. in English)
Schäfer G, Milić J, Eldahshan A, Götz F, Zühlke K, Schillinger C, Kreuchwig A, Elkins JM, Abdul Azeez KR, Oder A, Moutty MC, Masada N, Beerbaum M, Schlegel B, Niquet S, Schmieder P, Krause G, von Kries JP, Cooper DM, Knapp S, Rademann J, Rosenthal W, Klussmann E PubMed
Nov 2013 Volume: 52 Issue: 46 Pages: 12187-91

Discovery of novel small-molecule inhibitors of BRD4 using structure-based virtual screening.
Journal of medicinal chemistry
Vidler LR, Filippakopoulos P, Fedorov O, Picaud S, Martin S, Tomsett M, Woodward H, Brown N, Knapp S, Hoelder S PubMed
Oct 2013 Volume: 56 Issue: 20 Pages: 8073-88

Mechanism and consequence of the autoactivation of p38α mitogen-activated protein kinase promoted by TAB1.
Nature structural & molecular biology
DeNicola GF, Martin ED, Chaikuad A, Bassi R, Clark J, Martino L, Verma S, Sicard P, Tata R, Atkinson RA, Knapp S, Conte MR, Marber MS PubMed
Oct 2013 Volume: 20 Issue: 10 Pages: 1182-90

Testis specific gene expression drives disease progression and Rituximab resistance in lymphoma.
EMBO molecular medicine
Knapp S PubMed
Aug 2013 Volume: 5 Issue: 8 Pages: 1149-50

Topical antiangiogenic SRPK1 inhibitors reduce choroidal neovascularization in rodent models of exudative AMD.
Investigative ophthalmology & visual science
Gammons MV, Fedorov O, Ivison D, Du C, Clark T, Hopkins C, Hagiwara M, Dick AD, Cox R, Harper SJ, Hancox JC, Knapp S, Bates DO PubMed
Sep 2013 Volume: 54 Issue: 9 Pages: 6052-62

Effect of single amino acid substitution observed in cancer on Pim-1 kinase thermodynamic stability and structure.
PloS one
Lori C, Lantella A, Pasquo A, Alexander LT, Knapp S, Chiaraluce R, Consalvi V PubMed
2013 Volume: 8 Issue: 6 Pages: e64824

Structures of Down syndrome kinases, DYRKs, reveal mechanisms of kinase activation and substrate recognition.
Structure (London, England : 1993)
Soundararajan M, Roos AK, Savitsky P, Filippakopoulos P, Kettenbach AN, Olsen JV, Gerber SA, Eswaran J, Knapp S, Elkins JM PubMed
Jun 2013 Volume: 21 Issue: 6 Pages: 986-96

X-ray crystal structure of ERK5 (MAPK7) in complex with a specific inhibitor.
Journal of medicinal chemistry
Elkins JM, Wang J, Deng X, Pattison MJ, Arthur JS, Erazo T, Gomez N, Lizcano JM, Gray NS, Knapp S PubMed
Jun 2013 Volume: 56 Issue: 11 Pages: 4413-21

Restoring p53 function in human melanoma cells by inhibiting MDM2 and cyclin B1/CDK1-phosphorylated nuclear iASPP.
Cancer cell
Lu M, Breyssens H, Salter V, Zhong S, Hu Y, Baer C, Ratnayaka I, Sullivan A, Brown NR, Endicott J, Knapp S, Kessler BM, Middleton MR, Siebold C, Jones EY, Sviderskaya EV, Cebon J, John T, Caballero OL, Goding CR, Lu X PubMed
May 2013 Volume: 23 Issue: 5 Pages: 618-33

Selective bisubstrate inhibitors with sub-nanomolar affinity for protein kinase Pim-1.
ChemMedChem
Ekambaram R, Enkvist E, Vaasa A, Kasari M, Raidaru G, Knapp S, Uri A PubMed
Jun 2013 Volume: 8 Issue: 6 Pages: 909-13

PFI-1, a highly selective protein interaction inhibitor, targeting BET Bromodomains.
Cancer research
Picaud S, Da Costa D, Thanasopoulou A, Filippakopoulos P, Fish PV, Philpott M, Fedorov O, Brennan P, Bunnage ME, Owen DR, Bradner JE, Taniere P, O'Sullivan B, Müller S, Schwaller J, Stankovic T, Knapp S PubMed
Jun 2013 Volume: 73 Issue: 11 Pages: 3336-46

Construction of human activity-based phosphorylation networks.
Molecular systems biology
Newman RH, Hu J, Rho HS, Xie Z, Woodard C, Neiswinger J, Cooper C, Shirley M, Clark HM, Hu S, Hwang W, Jeong JS, Wu G, Lin J, Gao X, Ni Q, Goel R, Xia S, Ji H, Dalby KN, Birnbaum MJ, Cole PA, Knapp S, Ryazanov AG, Zack DJ, Blackshaw S, Pawson T, Gingras AC, Desiderio S, Pandey A, Turk BE, Zhang J, Zhu H, Qian J PubMed
2013 Volume: 9 Issue: Pages: 655

Optimization of 3,5-dimethylisoxazole derivatives as potent bromodomain ligands.
Journal of medicinal chemistry
Hewings DS, Fedorov O, Filippakopoulos P, Martin S, Picaud S, Tumber A, Wells C, Olcina MM, Freeman K, Gill A, Ritchie AJ, Sheppard DW, Russell AJ, Hammond EM, Knapp S, Brennan PE, Conway SJ PubMed
Apr 2013 Volume: 56 Issue: 8 Pages: 3217-27

Bromo-deaza-SAH: a potent and selective DOT1L inhibitor.
Bioorganic & medicinal chemistry
Yu W, Smil D, Li F, Tempel W, Fedorov O, Nguyen KT, Bolshan Y, Al-Awar R, Knapp S, Arrowsmith CH, Vedadi M, Brown PJ, Schapira M PubMed
Apr 2013 Volume: 21 Issue: 7 Pages: 1787-1794

Inhibition of BET bromodomain targets genetically diverse glioblastoma.
Clinical cancer research : an official journal of the American Association for Cancer Research
Cheng Z, Gong Y, Ma Y, Lu K, Lu X, Pierce LA, Thompson RC, Muller S, Knapp S, Wang J PubMed
Apr 2013 Volume: 19 Issue: 7 Pages: 1748-59

Structural basis for Cul3 protein assembly with the BTB-Kelch family of E3 ubiquitin ligases.
The Journal of biological chemistry
Canning P, Cooper CDO, Krojer T, Murray JW, Pike ACW, Chaikuad A, Keates T, Thangaratnarajah C, Hojzan V, Marsden BD, Gileadi O, Knapp S, von Delft F, Bullock AN PubMed
Mar 2013 Volume: 288 Issue: 11 Pages: 7803-7814

Novel Inverse Binding Mode of Indirubin Derivatives Yields Improved Selectivity for DYRK Kinases.
ACS medicinal chemistry letters
Myrianthopoulos V, Kritsanida M, Gaboriaud-Kolar N, Magiatis P, Ferandin Y, Durieu E, Lozach O, Cappel D, Soundararajan M, Filippakopoulos P, Sherman W, Knapp S, Meijer L, Mikros E, Skaltsounis AL PubMed
Jan 2013 Volume: 4 Issue: 1 Pages: 22-26

Structural insights into the activation of MST3 by MO25.
Biochemical and biophysical research communications
Mehellou Y, Alessi DR, Macartney TJ, Szklarz M, Knapp S, Elkins JM PubMed
Feb 2013 Volume: 431 Issue: 3 Pages: 604-9

The design and synthesis of 5- and 6-isoxazolylbenzimidazoles as selective inhibitors of the BET bromodomains.
MedChemComm
Hay D, Fedorov O, Filippakopoulos P, Martin S, Philpott M, Picaud S, Hewings DS, Uttakar S, Heightman TD, Conway SJ, Knapp S, Brennan PE PubMed
Jan 2013 Volume: 4 Issue: 1 Pages: 140-144

Stimulation of Hepatic Apolipoprotein A-I Production by Novel Thieno-Triazolodiazepines: Roles of the Classical Benzodiazepine Receptor, PAF Receptor, and Bromodomain Binding.
Lipid insights
Kempen HJ, Bellus D, Fedorov O, Nicklisch S, Filippakopoulos P, Picaud S, Knapp S PubMed
2013 Volume: 6 Issue: Pages: 47-54

A public-private partnership to unlock the untargeted kinome.
Nature chemical biology
Knapp S, Arruda P, Blagg J, Burley S, Drewry DH, Edwards A, Fabbro D, Gillespie P, Gray NS, Kuster B, Lackey KE, Mazzafera P, Tomkinson NC, Willson TM, Workman P, Zuercher WJ PubMed
Jan 2013 Volume: 9 Issue: 1 Pages: 3-6

Identification of a chemical probe for bromo and extra C-terminal bromodomain inhibition through optimization of a fragment-derived hit.
Journal of medicinal chemistry
Fish PV, Filippakopoulos P, Bish G, Brennan PE, Bunnage ME, Cook AS, Federov O, Gerstenberger BS, Jones H, Knapp S, Marsden B, Nocka K, Owen DR, Philpott M, Picaud S, Primiano MJ, Ralph MJ, Sciammetta N, Trzupek JD PubMed
Nov 2012 Volume: 55 Issue: 22 Pages: 9831-7

Bromodomain-containing protein 4 (BRD4) regulates RNA polymerase II serine 2 phosphorylation in human CD4+ T cells.
The Journal of biological chemistry
Zhang W, Prakash C, Sum C, Gong Y, Li Y, Kwok JJ, Thiessen N, Pettersson S, Jones SJ, Knapp S, Yang H, Chin KC PubMed
Dec 2012 Volume: 287 Issue: 51 Pages: 43137-55

A small-molecule inhibitor of Haspin alters the kinetochore functions of Aurora B.
The Journal of cell biology
De Antoni A, Maffini S, Knapp S, Musacchio A, Santaguida S PubMed
Oct 2012 Volume: 199 Issue: 2 Pages: 269-84

Selectivity, cocrystal structures, and neuroprotective properties of leucettines, a family of protein kinase inhibitors derived from the marine sponge alkaloid leucettamine B.
Journal of medicinal chemistry
Tahtouh T, Elkins JM, Filippakopoulos P, Soundararajan M, Burgy G, Durieu E, Cochet C, Schmid RS, Lo DC, Delhommel F, Oberholzer AE, Pearl LH, Carreaux F, Bazureau JP, Knapp S, Meijer L PubMed
Nov 2012 Volume: 55 Issue: 21 Pages: 9312-30

Structure of the bone morphogenetic protein receptor ALK2 and implications for fibrodysplasia ossificans progressiva.
The Journal of biological chemistry
Chaikuad A, Alfano I, Kerr G, Sanvitale CE, Boergermann JH, Triffitt JT, von Delft F, Knapp S, Knaus P, Bullock AN PubMed
Oct 2012 Volume: 287 Issue: 44 Pages: 36990-8

Progress in the development and application of small molecule inhibitors of bromodomain-acetyl-lysine interactions.
Journal of medicinal chemistry
Hewings DS, Rooney TP, Jennings LE, Hay DA, Schofield CJ, Brennan PE, Knapp S, Conway SJ PubMed
Nov 2012 Volume: 55 Issue: 22 Pages: 9393-413

Crystal structure of human aurora B in complex with INCENP and VX-680.
Journal of medicinal chemistry
Elkins JM, Santaguida S, Musacchio A, Knapp S PubMed
Sep 2012 Volume: 55 Issue: 17 Pages: 7841-8

Fragment screening of cyclin G-associated kinase by weak affinity chromatography.
Analytical and bioanalytical chemistry
Meiby E, Knapp S, Elkins JM, Ohlson S PubMed
Nov 2012 Volume: 404 Issue: 8 Pages: 2417-25

Small-molecule inhibition of BRDT for male contraception.
Cell
Matzuk MM, McKeown MR, Filippakopoulos P, Li Q, Ma L, Agno JE, Lemieux ME, Picaud S, Yu RN, Qi J, Knapp S, Bradner JE PubMed
Aug 2012 Volume: 150 Issue: 4 Pages: 673-84

Druggability analysis and structural classification of bromodomain acetyl-lysine binding sites.
Journal of medicinal chemistry
Vidler LR, Brown N, Knapp S, Hoelder S PubMed
Sep 2012 Volume: 55 Issue: 17 Pages: 7346-59

Pharmacological inhibition of LIM kinase stabilizes microtubules and inhibits neoplastic growth.
Cancer research
Prudent R, Vassal-Stermann E, Nguyen CH, Pillet C, Martinez A, Prunier C, Barette C, Soleilhac E, Filhol O, Beghin A, Valdameri G, Honoré S, Aci-Sèche S, Grierson D, Antonipillai J, Li R, Di Pietro A, Dumontet C, Braguer D, Florent JC, Knapp S, Bernard O, Lafanechère L PubMed
Sep 2012 Volume: 72 Issue: 17 Pages: 4429-39

The bromodomain interaction module.
FEBS letters
Filippakopoulos P, Knapp S PubMed
Aug 2012 Volume: 586 Issue: 17 Pages: 2692-704

Rapid determination of multiple linear kinase substrate motifs by mass spectrometry.
Chemistry & biology
Kettenbach AN, Wang T, Faherty BK, Madden DR, Knapp S, Bailey-Kellogg C, Gerber SA PubMed
May 2012 Volume: 19 Issue: 5 Pages: 608-18

The Global Cancer Genomics Consortium: interfacing genomics and cancer medicine.
Cancer research
PubMed
Aug 2012 Volume: 72 Issue: 15 Pages: 3720-4

The structure of the full-length tetrameric PKA regulatory RIIβ complex reveals the mechanism of allosteric PKA activation.
Science signaling
Elkins JM, Knapp S PubMed
May 2012 Volume: 5 Issue: 224 Pages: pe21

Small-molecule inhibitors of the c-Fes protein-tyrosine kinase.
Chemistry & biology
Hellwig S, Miduturu CV, Kanda S, Zhang J, Filippakopoulos P, Salah E, Deng X, Choi HG, Zhou W, Hur W, Knapp S, Gray NS, Smithgall TE PubMed
Apr 2012 Volume: 19 Issue: 4 Pages: 529-40

Histone recognition and large-scale structural analysis of the human bromodomain family.
Cell
Filippakopoulos P, Picaud S, Mangos M, Keates T, Lambert JP, Barsyte-Lovejoy D, Felletar I, Volkmer R, Müller S, Pawson T, Gingras AC, Arrowsmith CH, Knapp S PubMed
Mar 2012 Volume: 149 Issue: 1 Pages: 214-31

Structural stability of human protein tyrosine phosphatase ρ catalytic domain: effect of point mutations.
PloS one
Pasquo A, Consalvi V, Knapp S, Alfano I, Ardini M, Stefanini S, Chiaraluce R PubMed
2012 Volume: 7 Issue: 2 Pages: e32555

The p53 cofactor Strap exhibits an unexpected TPR motif and oligonucleotide-binding (OB)-fold structure.
Proceedings of the National Academy of Sciences of the United States of America
Adams CJ, Pike AC, Maniam S, Sharpe TD, Coutts AS, Knapp S, La Thangue NB, Bullock AN PubMed
Mar 2012 Volume: 109 Issue: 10 Pages: 3778-83

Benzodiazepines and benzotriazepines as protein interaction inhibitors targeting bromodomains of the BET family.
Bioorganic & medicinal chemistry
Filippakopoulos P, Picaud S, Fedorov O, Keller M, Wrobel M, Morgenstern O, Bracher F, Knapp S PubMed
Mar 2012 Volume: 20 Issue: 6 Pages: 1878-86

7,8-dichloro-1-oxo-β-carbolines as a versatile scaffold for the development of potent and selective kinase inhibitors with unusual binding modes.
Journal of medicinal chemistry
Huber K, Brault L, Fedorov O, Gasser C, Filippakopoulos P, Bullock AN, Fabbro D, Trappe J, Schwaller J, Knapp S, Bracher F PubMed
Jan 2012 Volume: 55 Issue: 1 Pages: 403-13

Analysis of conditions affecting auto-phosphorylation of human kinases during expression in bacteria.
Protein expression and purification
Shrestha A, Hamilton G, O'Neill E, Knapp S, Elkins JM PubMed
Jan 2012 Volume: 81 Issue: 1 Pages: 136-143

Kinase inhibitor selectivity profiling using differential scanning fluorimetry.
Methods in molecular biology (Clifton, N.J.)
Fedorov O, Niesen FH, Knapp S PubMed
2012 Volume: 795 Issue: Pages: 109-18

Bromodomains as therapeutic targets.
Expert reviews in molecular medicine
Muller S, Filippakopoulos P, Knapp S PubMed
Sep 2011 Volume: 13 Issue: Pages: e29

3,5-dimethylisoxazoles act as acetyl-lysine-mimetic bromodomain ligands.
Journal of medicinal chemistry
Hewings DS, Wang M, Philpott M, Fedorov O, Uttarkar S, Filippakopoulos P, Picaud S, Vuppusetty C, Marsden B, Knapp S, Conway SJ, Heightman TD PubMed
Oct 2011 Volume: 54 Issue: 19 Pages: 6761-70

Bromodomain-peptide displacement assays for interactome mapping and inhibitor discovery.
Molecular bioSystems
Philpott M, Yang J, Tumber T, Fedorov O, Uttarkar S, Filippakopoulos P, Picaud S, Keates T, Felletar I, Ciulli A, Knapp S, Heightman TD PubMed
Oct 2011 Volume: 7 Issue: 10 Pages: 2899-908

High-throughput kinase profiling: a more efficient approach toward the discovery of new kinase inhibitors.
Chemistry & biology
Miduturu CV, Deng X, Kwiatkowski N, Yang W, Brault L, Filippakopoulos P, Chung E, Yang Q, Schwaller J, Knapp S, King RW, Lee JD, Herrgard S, Zarrinkar P, Gray NS PubMed
Jul 2011 Volume: 18 Issue: 7 Pages: 868-79

Leucettines, a class of potent inhibitors of cdc2-like kinases and dual specificity, tyrosine phosphorylation regulated kinases derived from the marine sponge leucettamine B: modulation of alternative pre-RNA splicing.
Journal of medicinal chemistry
Debdab M, Carreaux F, Renault S, Soundararajan M, Fedorov O, Filippakopoulos P, Lozach O, Babault L, Tahtouh T, Baratte B, Ogawa Y, Hagiwara M, Eisenreich A, Rauch U, Knapp S, Meijer L, Bazureau JP PubMed
Jun 2011 Volume: 54 Issue: 12 Pages: 4172-86

Structurally sophisticated octahedral metal complexes as highly selective protein kinase inhibitors.
Journal of the American Chemical Society
Feng L, Geisselbrecht Y, Blanck S, Wilbuer A, Atilla-Gokcumen GE, Filippakopoulos P, Kräling K, Celik MA, Harms K, Maksimoska J, Marmorstein R, Frenking G, Knapp S, Essen LO, Meggers E PubMed
Apr 2011 Volume: 133 Issue: 15 Pages: 5976-86

Crystal structures of ABL-related gene (ABL2) in complex with imatinib, tozasertib (VX-680), and a type I inhibitor of the triazole carbothioamide class.
Journal of medicinal chemistry
Salah E, Ugochukwu E, Barr AJ, von Delft F, Knapp S, Elkins JM PubMed
Apr 2011 Volume: 54 Issue: 7 Pages: 2359-67

DNA damage in oocytes induces a switch of the quality control factor TAp63α from dimer to tetramer.
Cell
Deutsch GB, Zielonka EM, Coutandin D, Weber TA, Schäfer B, Hannewald J, Luh LM, Durst FG, Ibrahim M, Hoffmann J, Niesen FH, Sentürk A, Kunkel H, Brutschy B, Schleiff E, Knapp S, Acker-Palmer A, Grez M, McKeon F, Dötsch V PubMed
Feb 2011 Volume: 144 Issue: 4 Pages: 566-76

Specific CLK inhibitors from a novel chemotype for regulation of alternative splicing.
Chemistry & biology
Fedorov O, Huber K, Eisenreich A, Filippakopoulos P, King O, Bullock AN, Szklarczyk D, Jensen LJ, Fabbro D, Trappe J, Rauch U, Bracher F, Knapp S PubMed
Jan 2011 Volume: 18 Issue: 1 Pages: 67-76

Structural basis for c-KIT inhibition by the suppressor of cytokine signaling 6 (SOCS6) ubiquitin ligase.
The Journal of biological chemistry
Zadjali F, Pike AC, Vesterlund M, Sun J, Wu C, Li SS, Rönnstrand L, Knapp S, Bullock AN, Flores-Morales A PubMed
Jan 2011 Volume: 286 Issue: 1 Pages: 480-90

Selective inhibition of BET bromodomains.
Nature
Filippakopoulos P, Qi J, Picaud S, Shen Y, Smith WB, Fedorov O, Morse EM, Keates T, Hickman TT, Felletar I, Philpott M, Munro S, McKeown MR, Wang Y, Christie AL, West N, Cameron MJ, Schwartz B, Heightman TD, La Thangue N, French CA, Wiest O, Kung AL, Knapp S, Bradner JE PubMed
Dec 2010 Volume: 468 Issue: 7327 Pages: 1067-73

Targeting kinases for the treatment of inflammatory diseases.
Expert opinion on drug discovery
Müller S, Knapp S PubMed
Sep 2010 Volume: 5 Issue: 9 Pages: 867-81

Structural genomics of histone tail recognition.
Bioinformatics (Oxford, England)
Wang M, Mok MW, Harper H, Lee WH, Min J, Knapp S, Oppermann U, Marsden B, Schapira M PubMed
Oct 2010 Volume: 26 Issue: 20 Pages: 2629-30

Structural comparison of human mammalian ste20-like kinases.
PloS one
Record CJ, Chaikuad A, Rellos P, Das S, Pike AC, Fedorov O, Marsden BD, Knapp S, Lee WH PubMed
Aug 2010 Volume: 5 Issue: 8 Pages: e11905

Structure of the CaMKIIdelta/calmodulin complex reveals the molecular mechanism of CaMKII kinase activation.
PLoS biology
Rellos P, Pike AC, Niesen FH, Salah E, Lee WH, von Delft F, Knapp S PubMed
Jul 2010 Volume: 8 Issue: 7 Pages: e1000426

New potent dual inhibitors of CK2 and Pim kinases: discovery and structural insights.
FASEB journal : official publication of the Federation of American Societies for Experimental Biology
López-Ramos M, Prudent R, Moucadel V, Sautel CF, Barette C, Lafanechère L, Mouawad L, Grierson D, Schmidt F, Florent JC, Filippakopoulos P, Bullock AN, Knapp S, Reiser JB, Cochet C PubMed
Sep 2010 Volume: 24 Issue: 9 Pages: 3171-85

Small-molecule kinase inhibitors provide insight into Mps1 cell cycle function.
Nature chemical biology
Kwiatkowski N, Jelluma N, Filippakopoulos P, Soundararajan M, Manak MS, Kwon M, Choi HG, Sim T, Deveraux QL, Rottmann S, Pellman D, Shah JV, Kops GJ, Knapp S, Gray NS PubMed
May 2010 Volume: 6 Issue: 5 Pages: 359-68

The (un)targeted cancer kinome.
Nature chemical biology
Fedorov O, Müller S, Knapp S PubMed
Mar 2010 Volume: 6 Issue: 3 Pages: 166-169

PIM serine/threonine kinases in the pathogenesis and therapy of hematologic malignancies and solid cancers.
Haematologica
Brault L, Gasser C, Bracher F, Huber K, Knapp S, Schwaller J PubMed
Jun 2010 Volume: 95 Issue: 6 Pages: 1004-15

SH2 domains: modulators of nonreceptor tyrosine kinase activity.
Current opinion in structural biology
Filippakopoulos P, Müller S, Knapp S PubMed
Dec 2009 Volume: 19 Issue: 6 Pages: 643-9

Structure and functional characterization of the atypical human kinase haspin.
Proceedings of the National Academy of Sciences of the United States of America
Eswaran J, Patnaik D, Filippakopoulos P, Wang F, Stein RL, Murray JW, Higgins JM, Knapp S PubMed
Dec 2009 Volume: 106 Issue: 48 Pages: 20198-203

Insights into protein kinase regulation and inhibition by large scale structural comparison.
Biochimica et biophysica acta
Eswaran J, Knapp S PubMed
Mar 2010 Volume: 1804 Issue: 3 Pages: 429-32

Crystal structure of the PIM2 kinase in complex with an organoruthenium inhibitor.
PloS one
Bullock AN, Russo S, Amos A, Pagano N, Bregman H, Debreczeni JE, Lee WH, von Delft F, Meggers E, Knapp S PubMed
Oct 2009 Volume: 4 Issue: 10 Pages: e7112

Synthesis, kinase inhibitory potencies, and in vitro antiproliferative evaluation of new Pim kinase inhibitors.
Journal of medicinal chemistry
Akué-Gédu R, Rossignol E, Azzaro S, Knapp S, Filippakopoulos P, Bullock AN, Bain J, Cohen P, Prudhomme M, Anizon F, Moreau P PubMed
Oct 2009 Volume: 52 Issue: 20 Pages: 6369-81

Dissection of PIM serine/threonine kinases in FLT3-ITD-induced leukemogenesis reveals PIM1 as regulator of CXCL12-CXCR4-mediated homing and migration.
The Journal of experimental medicine
Grundler R, Brault L, Gasser C, Bullock AN, Dechow T, Woetzel S, Pogacic V, Villa A, Ehret S, Berridge G, Spoo A, Dierks C, Biondi A, Knapp S, Duyster J, Schwaller J PubMed
Aug 2009 Volume: 206 Issue: 9 Pages: 1957-70

Out of the box binding determines specificity of SH2 domain interaction.
Structure (London, England : 1993)
Müller S, Knapp S PubMed
Aug 2009 Volume: 17 Issue: 8 Pages: 1040-1

Propionate analogues of zearalenone bind to Hsp90.
Chembiochem : a European journal of chemical biology
Ugele M, Sasse F, Knapp S, Fedorov O, Zubriene A, Matulis D, Maier ME PubMed
Sep 2009 Volume: 10 Issue: 13 Pages: 2203-12

Structural determinants of G-protein alpha subunit selectivity by regulator of G-protein signaling 2 (RGS2).
The Journal of biological chemistry
Kimple AJ, Soundararajan M, Hutsell SQ, Roos AK, Urban DJ, Setola V, Temple BR, Roth BL, Knapp S, Willard FS, Siderovski DP PubMed
Jul 2009 Volume: 284 Issue: 29 Pages: 19402-11

Girls homozygous for an IL-2-inducible T cell kinase mutation that leads to protein deficiency develop fatal EBV-associated lymphoproliferation.
The Journal of clinical investigation
Huck K, Feyen O, Niehues T, Rüschendorf F, Hübner N, Laws HJ, Telieps T, Knapp S, Wacker HH, Meindl A, Jumaa H, Borkhardt A PubMed
May 2009 Volume: 119 Issue: 5 Pages: 1350-8

HD-PTP is a catalytically inactive tyrosine phosphatase due to a conserved divergence in its phosphatase domain.
PloS one
Gingras MC, Zhang YL, Kharitidi D, Barr AJ, Knapp S, Tremblay ML, Pause A PubMed
2009 Volume: 4 Issue: 4 Pages: e5105

Structure of dystrophia myotonica protein kinase.
Protein science : a publication of the Protein Society
Elkins JM, Amos A, Niesen FH, Pike AC, Fedorov O, Knapp S PubMed
Apr 2009 Volume: 18 Issue: 4 Pages: 782-91

Kinase domain insertions define distinct roles of CLK kinases in SR protein phosphorylation.
Structure (London, England : 1993)
Bullock AN, Das S, Debreczeni JE, Rellos P, Fedorov O, Niesen FH, Guo K, Papagrigoriou E, Amos AL, Cho S, Turk BE, Ghosh G, Knapp S PubMed
Mar 2009 Volume: 17 Issue: 3 Pages: 352-62

Large-scale structural analysis of the classical human protein tyrosine phosphatome.
Cell
Barr AJ, Ugochukwu E, Lee WH, King ON, Filippakopoulos P, Alfano I, Savitsky P, Burgess-Brown NA, Müller S, Knapp S PubMed
Jan 2009 Volume: 136 Issue: 2 Pages: 352-63

Targeting group II PAKs in cancer and metastasis.
Cancer metastasis reviews
Eswaran J, Soundararajan M, Knapp S PubMed
Jun 2009 Volume: 28 Issue: 1-2 Pages: 209-17

Structure of the pseudokinase VRK3 reveals a degraded catalytic site, a highly conserved kinase fold, and a putative regulatory binding site.
Structure (London, England : 1993)
Scheeff ED, Eswaran J, Bunkoczi G, Knapp S, Manning G PubMed
Jan 2009 Volume: 17 Issue: 1 Pages: 128-38

Discovery of a potent and selective inhibitor for human carbonyl reductase 1 from propionate scanning applied to the macrolide zearalenone.
Bioorganic & medicinal chemistry
Zimmermann TJ, Niesen FH, Pilka ES, Knapp S, Oppermann U, Maier ME PubMed
Jan 2009 Volume: 17 Issue: 2 Pages: 530-6

Extremely tight binding of a ruthenium complex to glycogen synthase kinase 3.
Chembiochem : a European journal of chemical biology
Atilla-Gokcumen GE, Pagano N, Streu C, Maksimoska J, Filippakopoulos P, Knapp S, Meggers E PubMed
Dec 2008 Volume: 9 Issue: 18 Pages: 2933-6

Structural coupling of SH2-kinase domains links Fes and Abl substrate recognition and kinase activation.
Cell
Filippakopoulos P, Kofler M, Hantschel O, Gish GD, Grebien F, Salah E, Neudecker P, Kay LE, Turk BE, Superti-Furga G, Pawson T, Knapp S PubMed
Sep 2008 Volume: 134 Issue: 5 Pages: 793-803

Linear motif atlas for phosphorylation-dependent signaling.
Science signaling
Miller ML, Jensen LJ, Diella F, Jørgensen C, Tinti M, Li L, Hsiung M, Parker SA, Bordeaux J, Sicheritz-Ponten T, Olhovsky M, Pasculescu A, Alexander J, Knapp S, Blom N, Bork P, Li S, Cesareni G, Pawson T, Turk BE, Yaffe MB, Brunak S, Linding R PubMed
Sep 2008 Volume: 1 Issue: 35 Pages: ra2

UnPAKing the class differences among p21-activated kinases.
Trends in biochemical sciences
Eswaran J, Soundararajan M, Kumar R, Knapp S PubMed
Aug 2008 Volume: 33 Issue: 8 Pages: 394-403

Thermal unfolding of the archaeal DNA and RNA binding protein Ssh10.
Biochemical and biophysical research communications
Wu X, Oppermann M, Berndt KD, Bergman T, Jörnvall H, Knapp S, Oppermann U PubMed
Sep 2008 Volume: 373 Issue: 4 Pages: 482-7

The structure of P-TEFb (CDK9/cyclin T1), its complex with flavopiridol and regulation by phosphorylation.
The EMBO journal
Baumli S, Lolli G, Lowe ED, Troiani S, Rusconi L, Bullock AN, Debreczeni JE, Knapp S, Johnson LN PubMed
Jul 2008 Volume: 27 Issue: 13 Pages: 1907-18

Similar biological activities of two isostructural ruthenium and osmium complexes.
Chemistry (Weinheim an der Bergstrasse, Germany)
Maksimoska J, Williams DS, Atilla-Gokcumen GE, Smalley KS, Carroll PJ, Webster RD, Filippakopoulos P, Knapp S, Herlyn M, Meggers E PubMed
2008 Volume: 14 Issue: 16 Pages: 4816-22

Doing more than just the structure-structural genomics in kinase drug discovery.
Current opinion in chemical biology
Marsden BD, Knapp S PubMed
Feb 2008 Volume: 12 Issue: 1 Pages: 40-5

Activation segment dimerization: a mechanism for kinase autophosphorylation of non-consensus sites.
The EMBO journal
Pike AC, Rellos P, Niesen FH, Turnbull A, Oliver AW, Parker SA, Turk BE, Pearl LH, Knapp S PubMed
Feb 2008 Volume: 27 Issue: 4 Pages: 704-14

Protein production and purification.
Nature methods
, , , Gräslund S, Nordlund P, Weigelt J, Hallberg BM, Bray J, Gileadi O, Knapp S, Oppermann U, Arrowsmith C, Hui R, Ming J, dhe-Paganon S, Park HW, Savchenko A, Yee A, Edwards A, Vincentelli R, Cambillau C, Kim R, Kim SH, Rao Z, Shi Y, Terwilliger TC, Kim CY, Hung LW, Waldo GS, Peleg Y, Albeck S, Unger T, Dym O, Prilusky J, Sussman JL, Stevens RC, Lesley SA, Wilson IA, Joachimiak A, Collart F, Dementieva I, Donnelly MI, Eschenfeldt WH, Kim Y, Stols L, Wu R, Zhou M, Burley SK, Emtage JS, Saud... PubMed
Feb 2008 Volume: 5 Issue: 2 Pages: 135-46

Structure of the human protein kinase MPSK1 reveals an atypical activation loop architecture.
Structure (London, England : 1993)
Eswaran J, Bernad A, Ligos JM, Guinea B, Debreczeni JE, Sobott F, Parker SA, Najmanovich R, Turk BE, Knapp S PubMed
Jan 2008 Volume: 16 Issue: 1 Pages: 115-24

A systematic interaction map of validated kinase inhibitors with Ser/Thr kinases.
Proceedings of the National Academy of Sciences of the United States of America
Fedorov O, Marsden B, Pogacic V, Rellos P, Müller S, Bullock AN, Schwaller J, Sundström M, Knapp S PubMed
Dec 2007 Volume: 104 Issue: 51 Pages: 20523-8

Structure of the SOCS4-ElonginB/C complex reveals a distinct SOCS box interface and the molecular basis for SOCS-dependent EGFR degradation.
Structure (London, England : 1993)
Bullock AN, Rodriguez MC, Debreczeni JE, Songyang Z, Knapp S PubMed
Nov 2007 Volume: 15 Issue: 11 Pages: 1493-504

Structural and functional characterization of the human protein kinase ASK1.
Structure (London, England : 1993)
Bunkoczi G, Salah E, Filippakopoulos P, Fedorov O, Müller S, Sobott F, Parker SA, Zhang H, Min W, Turk BE, Knapp S PubMed
Oct 2007 Volume: 15 Issue: 10 Pages: 1215-26

The scientific impact of the Structural Genomics Consortium: a protein family and ligand-centered approach to medically-relevant human proteins.
Journal of structural and functional genomics
Gileadi O, Knapp S, Lee WH, Marsden BD, Müller S, Niesen FH, Kavanagh KL, Ball LJ, von Delft F, Doyle DA, Oppermann UC, Sundström M PubMed
Sep 2007 Volume: 8 Issue: 2-3 Pages: 107-19

Structural analysis identifies imidazo[1,2-b]pyridazines as PIM kinase inhibitors with in vitro antileukemic activity.
Cancer research
Pogacic V, Bullock AN, Fedorov O, Filippakopoulos P, Gasser C, Biondi A, Meyer-Monard S, Knapp S, Schwaller J PubMed
Jul 2007 Volume: 67 Issue: 14 Pages: 6916-24

Activation segment exchange: a common mechanism of kinase autophosphorylation?
Trends in biochemical sciences
Oliver AW, Knapp S, Pearl LH PubMed
Aug 2007 Volume: 32 Issue: 8 Pages: 351-6

Insights for the development of specific kinase inhibitors by targeted structural genomics.
Drug discovery today
Fedorov O, Sundström M, Marsden B, Knapp S PubMed
May 2007 Volume: 12 Issue: 9-10 Pages: 365-72

Protein-protein interaction site mapping using NMR-detected mutational scanning.
Journal of biomolecular NMR
Baminger B, Ludwiczek ML, Kontaxis G, Knapp S, Konrat R PubMed
Jun 2007 Volume: 38 Issue: 2 Pages: 133-7

Specificity profiling of Pak kinases allows identification of novel phosphorylation sites.
The Journal of biological chemistry
Rennefahrt UE, Deacon SW, Parker SA, Devarajan K, Beeser A, Chernoff J, Knapp S, Turk BE, Peterson JR PubMed
May 2007 Volume: 282 Issue: 21 Pages: 15667-78

Structures of the human eIF4E homologous protein, h4EHP, in its m7GTP-bound and unliganded forms.
Journal of molecular biology
Rosettani P, Knapp S, Vismara MG, Rusconi L, Cameron AD PubMed
May 2007 Volume: 368 Issue: 3 Pages: 691-705

Biochemical characterization of TASSELSEED 2, an essential plant short-chain dehydrogenase/reductase with broad spectrum activities.
The FEBS journal
Wu X, Knapp S, Stamp A, Stammers DK, Jörnvall H, Dellaporta SL, Oppermann U PubMed
Mar 2007 Volume: 274 Issue: 5 Pages: 1172-82

Crystal Structures of the p21-activated kinases PAK4, PAK5, and PAK6 reveal catalytic domain plasticity of active group II PAKs.
Structure (London, England : 1993)
Eswaran J, Lee WH, Debreczeni JE, Filippakopoulos P, Turnbull A, Fedorov O, Deacon SW, Peterson JR, Knapp S PubMed
Feb 2007 Volume: 15 Issue: 2 Pages: 201-13

Structure and regulation of the human Nek2 centrosomal kinase.
The Journal of biological chemistry
Rellos P, Ivins FJ, Baxter JE, Pike A, Nott TJ, Parkinson DM, Das S, Howell S, Fedorov O, Shen QY, Fry AM, Knapp S, Smerdon SJ PubMed
Mar 2007 Volume: 282 Issue: 9 Pages: 6833-42

MAPK-specific tyrosine phosphatases: new targets for drug discovery?
Trends in pharmacological sciences
Barr AJ, Knapp S PubMed
Oct 2006 Volume: 27 Issue: 10 Pages: 525-30

High-throughput structural characterisation of therapeutic protein targets.
Expert opinion on drug discovery
Marsden BD, Sundstrom M, Knapp S PubMed
Jul 2006 Volume: 1 Issue: 2 Pages: 123-36

The molecular mechanism of nitrogen-containing bisphosphonates as antiosteoporosis drugs.
Proceedings of the National Academy of Sciences of the United States of America
Kavanagh KL, Guo K, Dunford JE, Wu X, Knapp S, Ebetino FH, Rogers MJ, Russell RG, Oppermann U PubMed
May 2006 Volume: 103 Issue: 20 Pages: 7829-34

Crystal structure of the SOCS2-elongin C-elongin B complex defines a prototypical SOCS box ubiquitin ligase.
Proceedings of the National Academy of Sciences of the United States of America
Bullock AN, Debreczeni JE, Edwards AM, Sundström M, Knapp S PubMed
May 2006 Volume: 103 Issue: 20 Pages: 7637-42

The crystal structure of human receptor protein tyrosine phosphatase kappa phosphatase domain 1.
Protein science : a publication of the Protein Society
Eswaran J, Debreczeni JE, Longman E, Barr AJ, Knapp S PubMed
Jun 2006 Volume: 15 Issue: 6 Pages: 1500-5

Inhibition of protein-protein interactions: the discovery of druglike beta-catenin inhibitors by combining virtual and biophysical screening.
Proteins
Trosset JY, Dalvit C, Knapp S, Fasolini M, Veronesi M, Mantegani S, Gianellini LM, Catana C, Sundström M, Stouten PF, Moll JK PubMed
Jul 2006 Volume: 64 Issue: 1 Pages: 60-7

Crystal structure of human protein tyrosine phosphatase 14 (PTPN14) at 1.65-A resolution.
Proteins
Barr AJ, Debreczeni JE, Eswaran J, Knapp S PubMed
Jun 2006 Volume: 63 Issue: 4 Pages: 1132-6

Crystal structures and inhibitor identification for PTPN5, PTPRR and PTPN7: a family of human MAPK-specific protein tyrosine phosphatases.
The Biochemical journal
Eswaran J, von Kries JP, Marsden B, Longman E, Debreczeni JE, Ugochukwu E, Turnbull A, Lee WH, Knapp S, Barr AJ PubMed
May 2006 Volume: 395 Issue: 3 Pages: 483-91

Ruthenium half-sandwich complexes bound to protein kinase Pim-1.
Angewandte Chemie (International ed. in English)
Debreczeni JE, Bullock AN, Atilla GE, Williams DS, Bregman H, Knapp S, Meggers E PubMed
Feb 2006 Volume: 45 Issue: 10 Pages: 1580-5

Structural basis of inhibitor specificity of the human protooncogene proviral insertion site in moloney murine leukemia virus (PIM-1) kinase.
Journal of medicinal chemistry
Bullock AN, Debreczeni JE, Fedorov OY, Nelson A, Marsden BD, Knapp S PubMed
Dec 2005 Volume: 48 Issue: 24 Pages: 7604-14

Regulation of the wild-type and Y1235D mutant Met kinase activation.
Biochemistry
Cristiani C, Rusconi L, Perego R, Schiering N, Kalisz HM, Knapp S, Isacchi A PubMed
Nov 2005 Volume: 44 Issue: 43 Pages: 14110-9

Structure and substrate specificity of the Pim-1 kinase.
The Journal of biological chemistry
Bullock AN, Debreczeni J, Amos AL, Knapp S, Turk BE PubMed
Dec 2005 Volume: 280 Issue: 50 Pages: 41675-82

Coupling PAF signaling to dynein regulation: structure of LIS1 in complex with PAF-acetylhydrolase.
Neuron
Tarricone C, Perrina F, Monzani S, Massimiliano L, Kim MH, Derewenda ZS, Knapp S, Tsai LH, Musacchio A PubMed
Dec 2004 Volume: 44 Issue: 5 Pages: 809-21

The long acidic tail of high mobility group box 1 (HMGB1) protein forms an extended and flexible structure that interacts with specific residues within and between the HMG boxes.
Biochemistry
Knapp S, Müller S, Digilio G, Bonaldi T, Bianchi ME, Musco G PubMed
Sep 2004 Volume: 43 Issue: 38 Pages: 11992-7

Crystal structure of the tyrosine kinase domain of the hepatocyte growth factor receptor c-Met and its complex with the microbial alkaloid K-252a.
Proceedings of the National Academy of Sciences of the United States of America
Schiering N, Knapp S, Marconi M, Flocco MM, Cui J, Perego R, Rusconi L, Cristiani C PubMed
Oct 2003 Volume: 100 Issue: 22 Pages: 12654-9

Protein stabilisation by compatible solutes: effect of mannosylglycerate on unfolding thermodynamics and activity of ribonuclease A.
Chembiochem : a European journal of chemical biology
Faria TQ, Knapp S, Ladenstein R, Maçanita AL, Santos H PubMed
Aug 2003 Volume: 4 Issue: 8 Pages: 734-41

Inhibitor affinity chromatography: profiling the specific reactivity of the proteome with immobilized molecules.
Proteomics
Lolli G, Thaler F, Valsasina B, Roletto F, Knapp S, Uggeri M, Bachi A, Matafora V, Storici P, Stewart A, Kalisz HM, Isacchi A PubMed
Jul 2003 Volume: 3 Issue: 7 Pages: 1287-98

Hot spots in Tcf4 for the interaction with beta-catenin.
The Journal of biological chemistry
Fasolini M, Wu X, Flocco M, Trosset JY, Oppermann U, Knapp S PubMed
Jun 2003 Volume: 278 Issue: 23 Pages: 21092-8

High-throughput NMR-based screening with competition binding experiments.
Journal of the American Chemical Society
Dalvit C, Flocco M, Knapp S, Mostardini M, Perego R, Stockman BJ, Veronesi M, Varasi M PubMed
Jul 2002 Volume: 124 Issue: 26 Pages: 7702-9

NMR-Based screening with competition water-ligand observed via gradient spectroscopy experiments: detection of high-affinity ligands.
Journal of medicinal chemistry
Dalvit C, Fasolini M, Flocco M, Knapp S, Pevarello P, Veronesi M PubMed
Jun 2002 Volume: 45 Issue: 12 Pages: 2610-4

Crystal structure of the tetrameric Mad1-Mad2 core complex: implications of a 'safety belt' binding mechanism for the spindle checkpoint.
The EMBO journal
Sironi L, Mapelli M, Knapp S, De Antoni A, Jeang KT, Musacchio A PubMed
May 2002 Volume: 21 Issue: 10 Pages: 2496-506

Critical residues for structure and catalysis in short-chain dehydrogenases/reductases.
The Journal of biological chemistry
Filling C, Berndt KD, Benach J, Knapp S, Prozorovski T, Nordling E, Ladenstein R, Jörnvall H, Oppermann U PubMed
Jul 2002 Volume: 277 Issue: 28 Pages: 25677-84