Publications | Structural Genomics Consortium

Barsyte-Lovejoy D, Li F, Oudhoff MJ, Tatlock JH, Dong A, Zeng H, Wu H, Freeman SA, Schapira M, Senisterra GA, Kuznetsova E, Marcellus R, Allali-Hassani A, Kennedy S, Lambert JP, Couzens AL, Aman A, Gingras AC, Al-Awar R, Fish PV, Gerstenberger BS, Roberts L, Benn CL, Grimley RL, Braam MJ, Rossi FM, Sudol M, Brown PJ, Bunnage ME, Owen DR, Zaph C, Vedadi M, Arrowsmith CH

Proc. Natl. Acad. Sci. U.S.A.. doi: 10.1073/pnas.1407358111

Publication date: August 18, 2014

PMID: 25136132

ACVR1 Mutations in DIPG: Lessons Learned from FOP.

Taylor KR, Vinci M, Bullock AN, Jones C

Cancer Res.. doi: 10.1158/0008-5472.CAN-14-1298

Publication date: August 18, 2014

PMID: 25136070

Functional Characterization and Categorization of Missense Mutations that Cause Methylmalonyl-CoA Mutase (MUT) Deficiency.

Forny P, Froese DS, Suormala T, Yue WW, Baumgartner MR

Hum. Mutat.. doi: 10.1002/humu.22633

Publication date: August 14, 2014

PMID: 25125334

Lost but making progress-Where will new analgesic drugs come from?

Borsook D, Hargreaves R, Bountra C, Porreca F

Sci Transl Med. 6(249):249sr3. doi: 10.1126/scitranslmed.3008320

Publication date: August 13, 2014

PMID: 25122640

Recently targeted kinases and their inhibitors-the path to clinical trials.

Knapp S, Sundström M

Curr Opin Pharmacol. 17C:58-63. doi: 10.1016/j.coph.2014.07.015

Publication date: August 8, 2014

PMID: 25113945

Structure-activity relationship of 3,5-diaryl-2-aminopyridine ALK2 inhibitors reveals unaltered binding affinity for fibrodysplasia ossificans progressiva causing mutants.

Mohedas A, Wang Y, Sanvitale CE, Canning P, Choi S, Xing X, Bullock AN, Cuny GD, Yu PB

J. Med. Chem.. doi: 10.1021/jm501177w

Publication date: August 7, 2014

PMID: 25101911

What is the future of bromodomains in targeted drug development?

Fedorov O

Future Med Chem. 6(10):1101-3. doi: 10.4155/fmc.14.64

Publication date: August 1, 2014

PMID: 25078130

Lysine methylation-dependent binding of 53BP1 to the pRb tumor suppressor.

Carr SM, Munro S, Zalmas LP, Fedorov O, Johansson C, Krojer T, Sagum CA, Bedford MT, Oppermann U, La Thangue NB

Proc. Natl. Acad. Sci. U.S.A.. doi: 10.1073/pnas.1403737111

Publication date: July 21, 2014

PMID: 25049398

Corrigendum: Dual kinase-bromodomain inhibitors for rationally designed polypharmacology.

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

Nat. Chem. Biol.. 10(8):692.

Publication date: July 18, 2014

PMID: 25036311

Discovery of a Selective, Substrate-competitive Inhibitor of the Lysine Methyltransferase SETD8.

Ma A, Yu W, Li F, Bleich RM, Herold JM, Butler KV, Norris JL, Korboukh V, Tripathy A, Janzen WP, Arrowsmith CH, Frye SV, Vedadi M, Brown PJ, Jin J

J. Med. Chem.. doi: 10.1021/jm500871s

Publication date: July 17, 2014

PMID: 25032507

A Methylation-Phosphorylation Switch Determines Sox2 Stability and Function in ESC Maintenance or Differentiation.

Fang L, Zhang L, Wei W, Jin X, Wang P, Tong Y, Li J, Du JX, Wong J

Mol. Cell. doi: 10.1016/j.molcel.2014.06.018

Publication date: July 16, 2014

PMID: 25042802

Assessing cellular efficacy of bromodomain inhibitors using fluorescence recovery after photobleaching.

Philpott M, Rogers CM, Yapp C, Wells C, Lambert JP, Strain-Damerell C, Burgess-Brown NA, Gingras AC, Knapp S, Müller S

Epigenetics Chromatin. 7:14. doi: 10.1186/1756-8935-7-14

Publication date: July 13, 2014

PMID: 25097667

Human-chromatin-related protein interactions identify a demethylase complex required for chromosome segregation.

Marcon E, Ni Z, Pu S, Turinsky AL, Trimble SS, Olsen JB, Silverman-Gavrila R, Silverman-Gavrila L, Phanse S, Guo H, Zhong G, Guo X, Young P, Bailey S, Roudeva D, Zhao D, Hewel J, Li J, Gräslund S, Paduch M, Kossiakoff AA, Lupien M, Emili A, Wodak SJ, Greenblatt J

Cell Rep. 8(1):297-310. doi: 10.1016/j.celrep.2014.05.050

Publication date: July 10, 2014

PMID: 24981860

Bromodomain Protein BRD4 Is Required for Estrogen Receptor-Dependent Enhancer Activation and Gene Transcription.

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

Cell Rep. doi: 10.1016/j.celrep.2014.06.016

Publication date: July 9, 2014

PMID: 25017071

A scintillation proximity assay for histone demethylases.

Yu W, Eram MS, Hajian T, Szykowska A, Burgess-Brown N, Vedadi M, Brown PJ

Anal. Biochem.. doi: 10.1016/j.ab.2014.06.023

Publication date: July 8, 2014

PMID: 25010373

RPRD1A and RPRD1B are human RNA polymerase II C-terminal domain scaffolds for Ser5 dephosphorylation.

Ni Z, Xu C, Guo X, Hunter GO, Kuznetsova OV, Tempel W, Marcon E, Zhong G, Guo H, Kuo WH, Li J, Young P, Olsen JB, Wan C, Loppnau P, El Bakkouri M, Senisterra GA, He H, Huang H, Sidhu SS, Emili A, Murphy S, Mosley AL, Arrowsmith CH, Min J, Greenblatt JF

Nat. Struct. Mol. Biol.. doi: 10.1038/nsmb.2853

Publication date: July 6, 2014

PMID: 24997600

Discovery and Optimization of Small-Molecule Ligands for the CBP/p300 Bromodomains.

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

J. Am. Chem. Soc.. 136(26):9308-19. doi: 10.1021/ja412434f

Publication date: July 2, 2014

PMID: 24946055

Multiparameter Optimization in CNS Drug Discovery: Design of Pyrimido[4,5-d]azepines as Potent 5-Hydroxytryptamine 2C (5-HT2C) Receptor Agonists with Exquisite Functional Selectivity over 5-HT2A and 5-HT2B Receptors.

Storer RI, Brennan PE, Brown AD, Bungay PJ, Conlon KM, Corbett MS, DePianta RP, Fish PV, Heifetz A, Ho DK, Jessiman AS, McMurray G, de Oliveira CA, Roberts LR, Root JA, Shanmugasundaram V, Shapiro MJ, Skerten M, Westbrook D, Wheeler S, Whitlock GA, Wright J

J. Med. Chem.. 57(12):5258-69. doi: 10.1021/jm5003292

Publication date: June 26, 2014

PMID: 24878222

Linking genotypes database with locus-specific database and genotype-phenotype correlation in phenylketonuria.

Wettstein S, Underhaug J, Perez B, Marsden BD, Yue WW, Martinez A, Blau N

Eur. J. Hum. Genet.. doi: 10.1038/ejhg.2014.114

Publication date: June 18, 2014

PMID: 24939588

STRUCTURAL CHARACTERIZATION OF HUMAN CHOLESTEROL 7α-HYDROXYLASE.

Tempel W, Grabovec I, MacKenzie F, Dichenko YV, Usanov SA, Gilep AA, Park HW, Strushkevich N

J. Lipid Res.. doi: 10.1194/jlr.M050765

Publication date: June 13, 2014

PMID: 24927729

A comparison of protein kinases inhibitor screening methods using both enzymatic activity and binding affinity determination.

Rudolf AF, Skovgaard T, Knapp S, Jensen LJ, Berthelsen J

PLoS ONE. 9(6):e98800. doi: 10.1371/journal.pone.0098800

Publication date: June 10, 2014

PMID: 24915177

Structural basis for histone mimicry and hijacking of host proteins by influenza virus protein NS1.

Qin S, Liu Y, Tempel W, Eram MS, Bian C, Liu K, Senisterra G, Crombet L, Vedadi M, Min J

Nat Commun. 5:3952. doi: 10.1038/ncomms4952

Publication date: May 24, 2014

PMID: 24853335

A Series of Potent CREBBP Bromodomain Ligands Reveals an Induced-Fit Pocket Stabilized by a Cation-π Interaction.

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

Angew. Chem. Int. Ed. Engl.. doi: 10.1002/anie.201402750

Publication date: May 12, 2014

PMID: 24821300

Ribosomal oxygenases are structurally conserved from prokaryotes to humans.

Chowdhury R, Sekirnik R, Brissett NC, Krojer T, Ho CH, Ng SS, Clifton IJ, Ge W, Kershaw NJ, Fox GC, Muniz JR, Vollmar M, Phillips C, Pilka ES, Kavanagh KL, von Delft F, Oppermann U, McDonough MA, Doherty AJ, Schofield CJ

Nature. doi: 10.1038/nature13263

Publication date: May 11, 2014

PMID: 24814345

A Chromatin-Dependent Role of the Fragile X Mental Retardation Protein FMRP in the DNA Damage Response.

Alpatov R, Lesch BJ, Nakamoto-Kinoshita M, Blanco A, Chen S, Stützer A, Armache KJ, Simon MD, Xu C, Ali M, Murn J, Prisic S, Kutateladze TG, Vakoc CR, Min J, Kingston RE, Fischle W, Warren ST, Page DC, Shi Y

Cell. 157(4):869-81. doi: 10.1016/j.cell.2014.03.040

Publication date: May 8, 2014

PMID: 24813610

Structural basis for phosphoinositide substrate recognition, catalysis, and membrane interactions in human inositol polyphosphate 5-phosphatases.

Trésaugues L, Silvander C, Flodin S, Welin M, Nyman T, Gräslund S, Hammarström M, Berglund H, Nordlund P

Structure. 22(5):744-55. doi: 10.1016/j.str.2014.01.013

Publication date: May 6, 2014

PMID: 24704254

Human UTY(KDM6C) is a Male-Specific N{epsilon}-Methyl Lysyl-Demethylase.

Walport LJ, Hopkinson RJ, Vollmar M, Madden SK, Gileadi C, Oppermann U, Schofield CJ, Johansson C

J. Biol. Chem.. doi: 10.1074/jbc.M114.555052

Publication date: May 5, 2014

PMID: 24798337

Enzymatic and Structural Characterization of rTSγ Provides Insights into the Function of rTSβ.

Wichelecki DJ, Froese DS, Kopec J, Muniz JR, Yue WW, Gerlt JA

Biochemistry. 53(16):2732-8. doi: 10.1021/bi500349e

Publication date: April 29, 2014

PMID: 24697329

Exploration of Type II Binding Mode: A Privileged Approach for Kinase Inhibitor Focused Drug Discovery?

Zhao Z, Wu H, Wang L, Liu Y, Knapp S, Liu Q, Gray NS

ACS Chem. Biol.. doi: 10.1021/cb500129t

Publication date: April 29, 2014

PMID: 24730530

Structures of human ALKBH5 demethylase reveal a unique binding mode for specific single stranded m6A RNA demethylation.

Xu C, Liu K, Tempel W, Demetriades M, Aik W, Schofield CJ, Min J

J. Biol. Chem.. doi: 10.1074/jbc.M114.550350

Publication date: April 28, 2014

PMID: 24778178

Structural Mechanisms Determining Inhibition of the Collagen Receptor DDR1 by Selective and Multi-Targeted Type II Kinase Inhibitors.

Canning P, Tan L, Chu K, Lee SW, Gray NS, Bullock AN

J. Mol. Biol.. doi: 10.1016/j.jmb.2014.04.014

Publication date: April 23, 2014

PMID: 24768818

Targeting bromodomains: epigenetic readers of lysine acetylation.

Filippakopoulos P, Knapp S

Nat Rev Drug Discov. 13(5):337-56. doi: 10.1038/nrd4286

Publication date: April 22, 2014

PMID: 24751816

Modulation of the chromatin phosphoproteome by the Haspin protein kinase.

Maiolica A, De Medina Redondo M, Schoof EM, Chaikuad A, Villa F, Gatti M, Jeganatgan S, Lou HJ, Novy K, Hauri S, Toprak UH, Herzog F, Meraldi P, Penengo L, Turk BE, Knapp S, Linding R, Aebersold R

Mol. Cell Proteomics. doi: 10.1074/mcp.M113.034819

Publication date: April 14, 2014

PMID: 24732914

Stereospecific targeting of MTH1 by (S)-crizotinib as an anticancer strategy.

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

Nature. 508(7495):222-7. doi: 10.1038/nature13194

Publication date: April 10, 2014

PMID: 24695225

Copper is required for oncogenic BRAF signalling and tumorigenesis.

Brady DC, Crowe MS, Turski ML, Hobbs GA, Yao X, Chaikuad A, Knapp S, Xiao K, Campbell SL, Thiele DJ, Counter CM

Nature. doi: 10.1038/nature13180

Publication date: April 9, 2014

PMID: 24717435

Recurrent activating ACVR1 mutations in diffuse intrinsic pontine glioma.

Taylor KR, Mackay A, Truffaux N, Butterfield YS, Morozova O, Philippe C, Castel D, Grasso CS, Vinci M, Carvalho D, Carcaboso AM, de Torres C, Cruz O, Mora J, Entz-Werle N, Ingram WJ, Monje M, Hargrave D, Bullock AN, Puget S, Yip S, Jones C, Grill J

Nat. Genet.. 46(5):457-61. doi: 10.1038/ng.2925

Publication date: April 6, 2014

PMID: 24705252