Publications | Structural Genomics Consortium

Targeting the Bromome: are we there yet?

Müller S

Future Med Chem. doi: 10.4155/fmc-2016-0136

Publication date: August 31, 2016

Covalent targeting of remote cysteine residues to develop CDK12 and CDK13 inhibitors.

Zhang T, Kwiatkowski N, Olson CM, Dixon-Clarke SE, Abraham BJ, Greifenberg AK, Ficarro SB, Elkins JM, Liang Y, Hannett NM, Manz T, Hao M, Bartkowiak B, Greenleaf AL, Marto JA, Geyer M, Bullock AN, Young RA, Gray NS

Nat. Chem. Biol.. doi: 10.1038/nchembio.2166

Publication date: August 29, 2016

PMID: 27571479

Chemical Inhibition of Protein Methyltransferases.

Schapira M

Cell Chem Biol. doi: 10.1016/j.chembiol.2016.07.014

Publication date: August 24, 2016

PMID: 27569753

Structural Basis of Intracellular TGF-β Signaling: Receptors and Smads.

Chaikuad A, Bullock AN

Cold Spring Harb Perspect Biol. doi: 10.1101/cshperspect.a022111

Publication date: August 22, 2016

PMID: 27549117

Structural biology: HDAC6 finally crystal clear.

Liu Y, Li L, Min J

Nat. Chem. Biol.. 12(9):660-1. doi: 10.1038/nchembio.2158

Publication date: August 18, 2016

PMID: 27538024

A germline mutation of CDKN2A and a novel RPLP1-C19MC fusion detected in a rare melanotic neuroectodermal tumor of infancy: a case report.

Barnes DJ, Hookway E, Athanasou N, Kashima T, Oppermann U, Hughes S, Swan D, Lueerssen D, Anson J, Hassan AB

BMC Cancer. 16(1):629. doi: 10.1186/s12885-016-2669-3

Publication date: August 12, 2016

PMID: 27519597

Epigenetic Blockade of Neoplastic Transformation by Bromodomain and Extra-Terminal (BET) Domain Protein Inhibitor JQ-1.

Zhang C, Su ZY, Wang L, Shu L, Yang Y, Guo Y, Pung D, Bountra C, Kong AN

Biochem. Pharmacol.. doi: 10.1016/j.bcp.2016.08.009

Publication date: August 9, 2016

PMID: 27520485

Accelerating target discovery using pre-competitive open science-patients need faster innovation more than anyone else.

Low E, Bountra C, Lee WH

Ecancermedicalscience. 10:ed57. doi: 10.3332/ecancer.2016.ed57

Publication date: August 3, 2016

PMID: 27594912

Structural basis of arginine asymmetrical dimethylation by PRMT6.

Wu H, Zheng W, Eram MS, Vhuiyan M, Dong A, Zeng H, He H, Brown P, Frankel A, Vedadi M, Luo M, Min J

Biochem. J.. doi: 10.1042/BCJ20160537

Publication date: August 1, 2016

PMID: 27480107

Structure-Activity Relationship Studies for Enhancer of Zeste Homologue 2 (EZH2) and Enhancer of Zeste Homologue 1 (EZH1) Inhibitors.

Yang X, Li F, Konze KD, Meslamani J, Ma A, Brown PJ, Zhou MM, Arrowsmith CH, Kaniskan HÜ, Vedadi M, Jin J

J. Med. Chem.. doi: 10.1021/acs.jmedchem.6b00855

Publication date: July 28, 2016

PMID: 27468126

Salt-Inducible Kinase 2 Couples Ovarian Cancer Cell Metabolism with Survival at the Adipocyte-Rich Metastatic Niche.

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

Cancer Cell. doi: 10.1016/j.ccell.2016.06.020

Publication date: July 27, 2016

PMID: 27478041

New small molecule inhibitors of histone methyl transferase DOT1L with a nitrile as a non-traditional replacement for heavy halogen atoms.

Spurr SS, Bayle ED, Yu W, Li F, Tempel W, Vedadi M, Schapira M, Fish PV

Bioorg. Med. Chem. Lett.. doi: 10.1016/j.bmcl.2016.07.041

Publication date: July 21, 2016

PMID: 27485386

Effect of BET Missense Mutations on Bromodomain Function, Inhibitor Binding and Stability.

Lori L, Pasquo A, Lori C, Petrosino M, Chiaraluce R, Tallant C, Knapp S, Consalvi V

PLoS ONE. 11(7):e0159180. doi: 10.1371/journal.pone.0159180

Publication date: July 12, 2016

PMID: 27403962

Discovery of a Potent and Selective Coactivator Associated Arginine Methyltransferase 1 (CARM1) Inhibitor by Virtual Screening.

Ferreira de Freitas R, Eram MS, Smil D, Szewczyk MM, Kennedy S, Brown PJ, Santhakumar V, Barsyte-Lovejoy D, Arrowsmith CH, Vedadi M, Schapira M

J. Med. Chem.. doi: 10.1021/acs.jmedchem.6b00668

Publication date: July 8, 2016

PMID: 27390919

High resolution crystal structure of DPF3b in complex with an acetylated histone peptide.

Li W, Zhao A, Tempel W, Loppnau P, Liu Y

J. Struct. Biol.. doi: 10.1016/j.jsb.2016.07.001

Publication date: July 8, 2016

PMID: 27402533

H3K27me3 demethylases regulate in vitro chondrogenesis and chondrocyte activity in osteoarthritis.

Yapp C, Carr AJ, Price A, Oppermann U, Snelling SJ

Arthritis Res. Ther.. 18(1):158. doi: 10.1186/s13075-016-1053-7

Publication date: July 7, 2016

PMID: 27388528

Exploring the role of water in molecular recognition: predicting protein ligandability using a combinatorial search of surface hydration sites.

Vukovic S, Brennan PE, Huggins DJ

J Phys Condens Matter. 28(34):344007. doi: 10.1088/0953-8984/28/34/344007

Publication date: July 1, 2016

PMID: 27367338

Advances and challenges in understanding histone demethylase biology.

Nowak RP, Tumber A, Johansson C, Che KH, Brennan P, Owen D, Oppermann U

Curr Opin Chem Biol. 33:151-159. doi: 10.1016/j.cbpa.2016.06.021

Publication date: June 29, 2016

PMID: 27371875

Cardiac myosin light chain is phosphorylated by Ca2+/calmodulin-dependent and -independent kinase activities.

Chang AN, Mahajan P, Knapp S, Barton H, Sweeney HL, Kamm KE, Stull JT

Proc. Natl. Acad. Sci. U.S.A.. doi: 10.1073/pnas.1600633113

Publication date: June 20, 2016

PMID: 27325775

Methyltransferase inhibitors for modulation of the epigenome and beyond.

Schapira M, Arrowsmith CH

Curr Opin Chem Biol. 33:81-87. doi: 10.1016/j.cbpa.2016.05.030

Publication date: June 16, 2016

PMID: 27318562

Structure and function of histone methylation-binding proteins in plants.

Liu Y, Min J

Biochem. J.. 473(12):1663-80. doi: 10.1042/BCJ20160123

Publication date: June 15, 2016

PMID: 27288029

Mammalian Glucose Transporter Activity is Dependent upon Anionic and Conical Phospholipids.

Hresko RC, Kraft TE, Quigley A, Carpenter EP, Hruz PW

J. Biol. Chem.. doi: 10.1074/jbc.M116.730168

Publication date: June 14, 2016

PMID: 27302065

Functional interdependence of BRD4 and DOT1L in MLL leukemia.

Gilan O, Lam EY, Becher I, Lugo D, Cannizzaro E, Joberty G, Ward A, Wiese M, Fong CY, Ftouni S, Tyler D, Stanley K, MacPherson L, Weng CF, Chan YC, Ghisi M, Smil D, Carpenter C, Brown P, Garton N, Blewitt ME, Bannister AJ, Kouzarides T, Huntly BJ, Johnstone RW, Drewes G, Dawson SJ, Arrowsmith CH, Grandi P, Prinjha RK, Dawson MA

Nat. Struct. Mol. Biol.. doi: 10.1038/nsmb.3249

Publication date: June 13, 2016

PMID: 27294782

SET9-Mediated Regulation of TGF-β Signaling Links Protein Methylation to Pulmonary Fibrosis.

Elkouris M, Kontaki H, Stavropoulos A, Antonoglou A, Nikolaou KC, Samiotaki M, Szantai E, Saviolaki D, Brown PJ, Sideras P, Panayotou G, Talianidis I

Cell Rep. doi: 10.1016/j.celrep.2016.05.051

Publication date: June 8, 2016

PMID: 27292644

Structural Basis of the Recruitment of Ubiquitin-Specific Protease USP15 by Spliceosome Recycling Factor SART3.

Zhang Q, Harding R, Hou F, Dong A, Walker JR, Bteich J, Tong Y

J. Biol. Chem.. doi: 10.1074/jbc.M116.740787

Publication date: June 2, 2016

PMID: 27255711

BET inhibition as a new strategy for the treatment of gastric cancer.

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

Oncotarget. doi: 10.18632/oncotarget.9766

Publication date: June 1, 2016

PMID: 27259267

Polymodal activation of the TREK-2 K2P channel produces structurally distinct open states.

McClenaghan C, Schewe M, Aryal P, Carpenter EP, Baukrowitz T, Tucker SJ

J. Gen. Physiol.. 147(6):497-505. doi: 10.1085/jgp.201611601

Publication date: June 1, 2016

PMID: 27241700

From structural biology to designing therapy for inborn errors of metabolism.

Yue WW

J. Inherit. Metab. Dis.. doi: 10.1007/s10545-016-9923-3

Publication date: May 30, 2016

PMID: 27240455

PHF13 is a molecular reader and transcriptional co-regulator of H3K4me2/3.

Chung HR, Xu C, Fuchs A, Mund A, Lange M, Staege H, Schubert T, Bian C, Dunkel I, Eberharter A, Regnard C, Klinker H, Meierhofer D, Cozzuto L, Winterpacht A, DiCroce L, Min J, Will H, Kinkley S

Elife. 5:. doi: 10.7554/eLife.10607

Publication date: May 25, 2016

PMID: 27223324

Protein-protein interaction inhibition (2P2I)-oriented chemical library accelerates hit discovery.

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

ACS Chem. Biol.. doi: 10.1021/acschembio.6b00286

Publication date: May 24, 2016

PMID: 27219844

Structure-Based Design of Tetrahydroisoquinoline-7-Carboxamides as Selective Discoidin Domain Receptor 1 (DDR1) Inhibitors.

Wang Z, Bian H, Bartual SG, Du W, Luo J, Zhao H, Zhang S, Mo C, Zhou Y, Xu Y, Tu ZC, Ren X, Lu X, Brekken RA, Yao L, Bullock AN, Su J, Ding K

J. Med. Chem.. doi: 10.1021/acs.jmedchem.6b00140

Publication date: May 24, 2016

PMID: 27219676

CIS is a potent checkpoint in NK cell-mediated tumor immunity.

Delconte RB, Kolesnik TB, Dagley LF, Rautela J, Shi W, Putz EM, Stannard K, Zhang JG, Teh C, Firth M, Ushiki T, Andoniou CE, Degli-Esposti MA, Sharp PP, Sanvitale CE, Infusini G, Liau NP, Linossi EM, Burns CJ, Carotta S, Gray DH, Seillet C, Hutchinson DS, Belz GT, Webb AI, Alexander WS, Li SS, Bullock AN, Babon JJ, Smyth MJ, Nicholson SE, Huntington ND

Nat. Immunol.. doi: 10.1038/ni.3470

Publication date: May 23, 2016

PMID: 27213690

Structural analysis of human KDM5B guides histone demethylase inhibitor development.

Johansson C, Velupillai S, Tumber A, Szykowska A, Hookway ES, Nowak RP, Strain-Damerell C, Gileadi C, Philpott M, Burgess-Brown N, Wu N, Kopec J, Nuzzi A, Steuber H, Egner U, Badock V, Munro S, LaThangue NB, Westaway S, Brown J, Athanasou N, Prinjha R, Brennan PE, Oppermann U

Nat. Chem. Biol.. doi: 10.1038/nchembio.2087

Publication date: May 23, 2016

PMID: 27214403

Perspective: Science is still too closed.

Edwards A

Nature. 533:S70. doi: 10.1038/533S70a

Publication date: May 12, 2016

PMID: 27167397

An Integrative Proteomic Approach Identifies Novel Cellular SMYD2 Substrates.

Ahmed H, Duan S, Arrowsmith CH, Barsyte-Lovejoy D, Schapira M

J. Proteome Res.. doi: 10.1021/acs.jproteome.6b00220

Publication date: May 10, 2016

PMID: 27163177

Mapping the chemical chromatin reactivation landscape identifies BRD4-TAF1 cross-talk.

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

Nat. Chem. Biol.. doi: 10.1038/nchembio.2080

Publication date: May 9, 2016

PMID: 27159579

Global Profiling of Acetyltransferase Feedback Regulation.

Montgomery DC, Garlick J, Kulkarni RA, Kennedy S, Allali-Hassani A, Kuo YM, Andrews AJ, Wu H, Vedadi M, Meier JL

J. Am. Chem. Soc.. doi: 10.1021/jacs.6b03036

Publication date: May 5, 2016

PMID: 27149119

Co-crystal structures of the protein kinase haspin with bisubstrate inhibitors.

Lavogina D, Kestav K, Chaikuad A, Heroven C, Knapp S, Uri A

Acta Crystallogr F Struct Biol Commun. 72(Pt 5):339-45. doi: 10.1107/S2053230X16004611

Publication date: May 1, 2016

PMID: 27139824

PR Domain-Containing Protein 7 (PRDM7) is a Histone 3 Lysine 4 Trimethyltransferase.

Blazer LL, Lima-Fernandes E, Gibson E, Eram MS, Loppnau P, Arrowsmith CH, Schapira M, Vedadi M

J. Biol. Chem.. doi: 10.1074/jbc.M116.721472

Publication date: April 29, 2016

PMID: 27129774

Using a Genetically Encoded Sensor to Identify Inhibitors of Toxoplasma gondii Ca2+ Signalling.

Sidik SM, Hortua Triana MA, Paul AS, El Bakkouri M, Hackett CG, Tran F, Westwood NJ, Hui R, Zuercher WJ, Duraisingh MT, Moreno SN, Lourido S

J. Biol. Chem.. doi: 10.1074/jbc.M115.703546

Publication date: April 29, 2016

PMID: 26933036

Cephalosporins inhibit human metallo β-lactamase fold DNA repair nucleases SNM1A and SNM1B/apollo.

Lee SY, Brem J, Pettinati I, Claridge TD, Gileadi O, Schofield CJ, McHugh PJ

Chem. Commun. (Camb.). doi: 10.1039/c6cc00529b

Publication date: April 28, 2016

PMID: 27121860

Identification and development of 2,3-dihydropyrrolo[1,2-a]quinazolin-5(1H)-one inhibitors targeting bromodomains within the Switch/Sucrose Non-Fermenting complex.

Sutherell CL, Tallant C, Monteiro OP, Yapp C, Fuchs JE, Fedorov O, Siejka P, Müller S, Knapp S, Brenton JD, Brennan PE, Ley SV

J. Med. Chem.. doi: 10.1021/acs.jmedchem.5b01997

Publication date: April 27, 2016

PMID: 27119626

Identification of a chemical probe for family VIII bromodomains through optimization of a fragment hit.

Gerstenberger BS, Trzupek JD, Tallant C, Fedorov O, Filippakopoulos P, Brennan PE, Fedele V, Martin S, Picaud S, Rogers CM, Parikh MD, Taylor A, Samas BM, O'Mahony A, Berg EL, Pallares G, Torrey AV, Treiber DK, Samardjiev IJ, Nasipak BT, Padilla-Benavides T, Wu Q, Imbalzano AN, Nickerson JA, Bunnage ME, Müller S, Knapp S, Owen DR

J. Med. Chem.. doi: 10.1021/acs.jmedchem.6b00012

Publication date: April 26, 2016

PMID: 27115555

EGFR inhibitors identified as a potential treatment for chordoma in a focused compound screen.

Scheipl S, Barnard M, Cottone L, Jorgensen M, Drewry DH, Zuercher WJ, Turlais F, Ye H, Leite AP, Smith JA, Leithner A, Möller P, Brüderlein S, Guppy N, Amary F, Tirabosco R, Strauss SJ, Pillay N, Flanagan AM

J. Pathol.. 239(3):320-34. doi: 10.1002/path.4729

Publication date: April 23, 2016

PMID: 27102572

Discovery and Characterization of a Highly Potent and Selective Aminopyrazoline-Based in vivo Probe (BAY-598) for the Protein Lysine Methyltransferase SMYD2.

Eggert E, Hillig RC, Köhr S, Stöckigt D, Weiske J, Barak N, Mowat J, Brumby T, Christ CD, Ter Laak A, Lang T, Fernández-Montalván AE, Badock V, Weinmann H, Hartung IV, Barsyte-Lovejoy D, Szewczyk M, Kennedy S, Li F, Vedadi M, Brown PJ, Santhakumar V, Arrowsmith CH, Stellfeld T, Stresemann C

J. Med. Chem.. doi: 10.1021/acs.jmedchem.5b01890

Publication date: April 13, 2016

PMID: 27075367

Structural basis for ligand-dependent dimerization of phenylalanine hydroxylase regulatory domain.

Patel D, Kopec J, Fitzpatrick F, McCorvie TJ, Yue WW

Sci Rep. 6:23748. doi: 10.1038/srep23748

Publication date: April 7, 2016

PMID: 27049649

Discovery of pyrido[3,4-g]quinazoline derivatives as CMGC family protein kinase inhibitors: Design, synthesis, inhibitory potency and X-ray co-crystal structure.

Esvan YJ, Zeinyeh W, Boibessot T, Nauton L, Théry V, Knapp S, Chaikuad A, Loaëc N, Meijer L, Anizon F, Giraud F, Moreau P

Eur J Med Chem. 118:170-177. doi: 10.1016/j.ejmech.2016.04.004

Publication date: April 5, 2016

PMID: 27128181

Outcome of the First wwPDB/CCDC/D3R Ligand Validation Workshop.

Adams PD, Aertgeerts K, Bauer C, Bell JA, Berman HM, Bhat TN, Blaney JM, Bolton E, Bricogne G, Brown D, Burley SK, Case DA, Clark KL, Darden T, Emsley P, Feher VA, Feng Z, Groom CR, Harris SF, Hendle J, Holder T, Joachimiak A, Kleywegt GJ, Krojer T, Marcotrigiano J, Mark AE, Markley JL, Miller M, Minor W, Montelione GT, Murshudov G, Nakagawa A, Nakamura H, Nicholls A, Nicklaus M, Nolte RT, Padyana AK, Peishoff CE, Pieniazek S, Read RJ, Shao C, Sheriff S, Smart O, Soisson S, Spurlino J, Stouch T, Svobodova R, Tempel W, Terwilliger TC, Tronrud D, Velankar S, Ward SC, Warren GL, Westbrook JD, Williams P, Yang H, Young J

Structure. 24(4):502-8. doi: 10.1016/j.str.2016.02.017

Publication date: April 5, 2016

PMID: 27050687

SETD7 Controls Intestinal Regeneration and Tumorigenesis by Regulating Wnt/β-Catenin and Hippo/YAP Signaling.

Oudhoff MJ, Braam MJ, Freeman SA, Wong D, Rattray DG, Wang J, Antignano F, Snyder K, Refaeli I, Hughes MR, McNagny KM, Gold MR, Arrowsmith CH, Sato T, Rossi FM, Tatlock JH, Owen DR, Brown PJ, Zaph C

Dev. Cell. 37(1):47-57. doi: 10.1016/j.devcel.2016.03.002

Publication date: April 4, 2016

PMID: 27046831

The first international workshop on the epigenetics of osteoarthritis.

Meulenbelt IM, Bhutani N, den Hollander W, Gay S, Oppermann U, Reynard LN, Skelton AJ, Young DA, Beier F, Loughlin J

Connect. Tissue Res.. doi: 10.3109/03008207.2016.1168409

Publication date: March 30, 2016

PMID: 27028588