Research Groups

 

Publications of Stefan Knapp (Results: 234)

 

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
Aug 2017 Volume: Issue: Pages:

A statistical analysis on the performance of MMPBSA 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
Aug 2017 Volume: Issue: Pages:

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

(19) 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
Aug 2017 Volume: Issue: Pages:

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: Issue: Pages:

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 Drosophila 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 A4 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, Karaminejadranjbar M, 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: 273-89

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
07 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
05 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
06 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: 173-82

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, Roth B, Ross R, Schapira M, Schreiber SL, Shoichet B, Su... 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
02 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
07 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

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 CD, Krojer T, Murray JW, Pike AC, Chaikuad A, Keates T, Thangaratnarajah C, Hojzan V, Ayinampudi V, Marsden BD, Gileadi O, Knapp S, von Delft F, Bullock AN PubMed
Mar 2013 Volume: 288 Issue: 11 Pages: 7803-14

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
10 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: 136-43

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
12 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