Publications | Structural Genomics Consortium

Patients with anti-Jo1 antibodies display a characteristic IgG Fc-glycan profile which is further enhanced in anti-Jo1 autoantibodies.

Fernandes-Cerqueira C, Renard N, Notarnicola A, Wigren E, Gräslund S, Zubarev RA, Lundberg IE, Lundström SL

Sci Rep. 8(1):17958. doi: 10.1038/s41598-018-36395-z

Publication date: December 18, 2018

Targeting early changes in the synovial microenvironment: a new class of immunomodulatory therapy?

Aungier SR, Cartwright AJ, Schwenzer A, Marshall JL, Dyson MR, Slavny P, Parthiban K, Karatt-Vellatt A, Sahbudin I, Culbert E, Hextall P, Clanchy FI, Williams R, Marsden BD, Raza K, Filer A, Buckley CD, McCafferty J, Midwood KS

Ann. Rheum. Dis.. doi: 10.1136/annrheumdis-2018-214294

Publication date: December 14, 2018

PMID: 30552174

Guiding COMPASS: Dpy-30 Positions SET1/MLL Epigenetic Signaling.

Dilworth D, Arrowsmith CH

Structure. 26(12):1567-1570. doi: 10.1016/j.str.2018.11.010

Publication date: December 4, 2018

PMID: 30517884

Interactome Rewiring Following Pharmacological Targeting of BET Bromodomains.

Lambert JP, Picaud S, Fujisawa T, Hou H, Savitsky P, Uusküla-Reimand L, Gupta GD, Abdouni H, Lin ZY, Tucholska M, Knight JDR, Gonzalez-Badillo B, St-Denis N, Newman JA, Stucki M, Pelletier L, Bandeira N, Wilson MD, Filippakopoulos P, Gingras AC

Mol. Cell. doi: 10.1016/j.molcel.2018.11.006

Publication date: December 1, 2018

PMID: 30554943

Arginine does not rescue p.Q188R mutation deleterious effect in classic galactosemia.

Haskovic M, Derks B, van der Ploeg L, Trommelen J, Nyakayiru J, van Loon LJC, Mackinnon S, Yue WW, Peake RWA, Zha L, Demirbas D, Qi W, Huang X, Berry GT, Achten J, Bierau J, Rubio-Gozalbo ME, Coelho AI

Orphanet J Rare Dis. 13(1):212. doi: 10.1186/s13023-018-0954-8

Publication date: November 26, 2018

PMID: 30477550

Allosteric Modulation of Binding Specificity by Alternative Packing of Protein Cores.

Ben-David M, Huang H, Sun MGF, Corbi-Verge C, Petsalaki E, Liu K, Gfeller D, Garg P, Tempel W, Sochirca I, Shifman JM, Davidson A, Min J, Kim PM, Sidhu SS

J. Mol. Biol.. doi: 10.1016/j.jmb.2018.11.018

Publication date: November 21, 2018

PMID: 30471255

Direct interaction between the PRDM3 and PRDM16 tumor suppressors and the NuRD chromatin remodeling complex.

Ivanochko D, Halabelian L, Henderson E, Savitsky P, Jain H, Marcon E, Duan S, Hutchinson A, Seitova A, Barsyte-Lovejoy D, Filippakopoulos P, Greenblatt J, Lima-Fernandes E, Arrowsmith CH

Nucleic Acids Res.. doi: 10.1093/nar/gky1192

Publication date: November 20, 2018

PMID: 30462309

Design, Synthesis and Characterization of Covalent KDM5 Inhibitors.

Vazquez-Rodriguez S, Wright M, Rogers CM, Cribbs A, Velupillai S, Philpott M, Lee H, Dunford JE, Huber KVM, Robers MB, Vasta JD, Thezenas ML, Bonham S, Kessler B, Bennett J, Fedorov O, Raynaud F, Donovan A, Blagg J, Bavetsias V, Oppermann U, Bountra C, Kawamura A, Brennan P

Angew. Chem. Int. Ed. Engl.. doi: 10.1002/anie.201810179

Publication date: November 15, 2018

PMID: 30431220

Selective inhibitors of a human prolyl hydroxylase (OGFOD1) involved in ribosomal decoding.

Thinnes CC, Lohans CT, Abboud MI, Yeh TL, Tumber A, Nowak RP, Attwood M, Cockman ME, Oppermann U, Loenarz C, Schofield C

Chemistry. doi: 10.1002/chem.201804790

Publication date: November 14, 2018

PMID: 30427558

An asparagine/glycine switch governs product specificity of human N-terminal methyltransferase NTMT2.

Dong C, Dong G, Li L, Zhu L, Tempel W, Liu Y, Huang R, Min J

Commun Biol. 1:183. doi: 10.1038/s42003-018-0196-2

Publication date: November 13, 2018

PMID: 30417120

A structure-based approach towards identification of inhibitory fragments for eleven-nineteen-leukemia protein (ENL).

Heidenreich D, Moustakim M, Schmidt J, Merk D, Brennan PE, Fedorov O, Chaikuad A, Knapp S

J. Med. Chem.. doi: 10.1021/acs.jmedchem.8b01457

Publication date: November 8, 2018

PMID: 30407816

A Pseudo-Kinase Double Act.

Preuß F, Mathea S, Knapp S

Structure. 26(11):1564. doi: 10.1016/j.str.2018.10.019

Publication date: November 6, 2018

PMID: 30403994

Achieving a Good Crystal System for Crystallographic X-Ray Fragment Screening.

Collins PM, Douangamath A, Talon R, Dias A, Brandao-Neto J, Krojer T, von Delft F

Meth. Enzymol.. 610:251-264. doi: 10.1016/bs.mie.2018.09.027

Publication date: November 6, 2018

PMID: 30390801

Target Identification Using Chemical Probes.

Moustakim M, Felce SL, Zaarour N, Farnie G, McCann FE, Brennan PE

Meth. Enzymol.. 610:27-58. doi: 10.1016/bs.mie.2018.09.013

Publication date: November 6, 2018

PMID: 30390803

Structures of DPAGT1 Explain Glycosylation Disease Mechanisms and Advance TB Antibiotic Design.

Dong YY, Wang H, Pike ACW, Cochrane SA, Hamedzadeh S, Wyszyński FJ, Bushell SR, Royer SF, Widdick DA, Sajid A, Boshoff HI, Park Y, Lucas R, Liu WM, Lee SS, Machida T, Minall L, Mehmood S, Belaya K, Liu WW, Chu A, Shrestha L, Mukhopadhyay SMM, Strain-Damerell C, Chalk R, Burgess-Brown NA, Bibb MJ, Barry Iii CE, Robinson CV, Beeson D, Davis BG, Carpenter EP

Cell. 175(4):1045-1058.e16. doi: 10.1016/j.cell.2018.10.037

Publication date: November 1, 2018

PMID: 30388443

MYC Protein Interactome Profiling Reveals Functionally Distinct Regions that Cooperate to Drive Tumorigenesis.

Kalkat M, Resetca D, Lourenco C, Chan PK, Wei Y, Shiah YJ, Vitkin N, Tong Y, Sunnerhagen M, Done SJ, Boutros PC, Raught B, Penn LZ

Mol. Cell. doi: 10.1016/j.molcel.2018.09.031

Publication date: October 30, 2018

PMID: 30415952

Oxidation resistance 1 regulates post-translational modifications of peroxiredoxin 2 in the cerebellum.

Svistunova DM, Simon JN, Rembeza E, Crabtree M, Yue WW, Oliver PL, Finelli MJ

Free Radic. Biol. Med.. doi: 10.1016/j.freeradbiomed.2018.10.447

Publication date: October 30, 2018

PMID: 30389497

Identification of a cellularly active SIRT6 allosteric activator.

Huang Z, Zhao J, Deng W, Chen Y, Shang J, Song K, Zhang L, Wang C, Lu S, Yang X, He B, Min J, Hu H, Tan M, Xu J, Zhang Q, Zhong J, Sun X, Mao Z, Lin H, Xiao M, Chin YE, Jiang H, Xu Y, Chen G, Zhang J

Nat. Chem. Biol.. doi: 10.1038/s41589-018-0150-0

Publication date: October 29, 2018

PMID: 30374165

Binding Kinetics Survey of the Drugged Kinome.

Georgi V, Schiele F, Berger BT, Steffen A, Marin Zapata PA, Briem H, Menz S, Preuße C, Vasta JD, Robers MB, Brands M, Knapp S, Fernández-Montalván AE

J. Am. Chem. Soc.. doi: 10.1021/jacs.8b08048

Publication date: October 26, 2018

PMID: 30362749

Discovery of a Selective Inhibitor for the YEATS Domains of ENL/AF9.

Christott T, Bennett J, Coxon C, Monteiro O, Giroud C, Beke V, Felce SL, Gamble V, Gileadi C, Poda G, Al-Awar R, Farnie G, Fedorov O

SLAS Discov. 2472555218809904. doi: 10.1177/2472555218809904

Publication date: October 25, 2018

PMID: 30359161

Palladium-mediated enzyme activation suggests multiphase initiation of glycogenesis.

Bilyard MK, Bailey HJ, Raich L, Gafitescu MA, Machida T, Iglésias-Fernández J, Lee SS, Spicer CD, Rovira C, Yue WW, Davis BG

Nature. doi: 10.1038/s41586-018-0644-7

Publication date: October 24, 2018

PMID: 30356213

Characterization of inv(3) cell line OCI-AML-20 with stroma dependent CD34 expression.

Luciani GM, Xie L, Dilworth D, Tierens A, Moskovitz Y, Murison A, Szewczyk MM, Mitchell A, Lupien M, Shlush L, Dick JE, Arrowsmith CH, Barsyte-Lovejoy D, Minden MD

Exp. Hematol.. doi: 10.1016/j.exphem.2018.10.006

Publication date: October 20, 2018

PMID: 30352278

Structure of a glutamine donor mimicking inhibitory peptide shaped by the catalytic cleft of microbial transglutaminase.

Juettner NE, Schmelz S, Kraemer A, Knapp S, Becker B, Kolmar H, Scrima A, Fuchsbauer HL

FEBS J.. doi: 10.1111/febs.14678

Publication date: October 15, 2018

PMID: 30318745

Arginine methylation of FOXP3 is crucial for the suppressive function of regulatory T cells.

Kagoya Y, Saijo H, Matsunaga Y, Guo T, Saso K, Anczurowski M, Wang CH, Sugata K, Murata K, Butler MO, Arrowsmith CH, Hirano N

J. Autoimmun.. doi: 10.1016/j.jaut.2018.09.011

Publication date: October 11, 2018

PMID: 30318155

MYC Interacts with the G9a Histone Methyltransferase to Drive Transcriptional Repression and Tumorigenesis.

Tu WB, Shiah YJ, Lourenco C, Mullen PJ, Dingar D, Redel C, Tamachi A, Ba-Alawi W, Aman A, Al-Awar R, Cescon DW, Haibe-Kains B, Arrowsmith CH, Raught B, Boutros PC, Penn LZ

Cancer Cell. 34(4):579-595.e8. doi: 10.1016/j.ccell.2018.09.001

Publication date: October 8, 2018

PMID: 30300580

Discovery of an MLLT1/3 YEATS Domain Chemical Probe.

Moustakim M, Christott T, Monteiro OP, Bennett J, Giroud C, Ward J, Rogers CM, Smith P, Panagakou I, Saez LD, Felce SL, Gamble V, Gileadi C, Halidi N, Heidenreich D, Chaikuad A, Knapp S, Huber KVM, Farnie G, Heer J, Manevski N, Poda G, Al-Awar R, Dixon DJ, Fedorov O, Brennan P

Angew. Chem. Int. Ed. Engl.. doi: 10.1002/anie.201810617

Publication date: October 5, 2018

PMID: 30288907

Structural Analysis of Inhibitor Binding to CAMKK1 Identifies Features Necessary for Design of Specific Inhibitors.

Santiago ADS, Couñago RM, Ramos PZ, Godoi PHC, Massirer KB, Gileadi O, Elkins JM

Sci Rep. 8(1):14800. doi: 10.1038/s41598-018-33043-4

Publication date: October 4, 2018

PMID: 30287839

Covalent inhibitors of EGFR family protein kinases induce degradation of human Tribbles 2 (TRIB2) pseudokinase in cancer cells.

Foulkes DM, Byrne DP, Yeung W, Shrestha S, Bailey FP, Ferries S, Eyers CE, Keeshan K, Wells C, Drewry DH, Zuercher WJ, Kannan N, Eyers PA

Sci Signal. 11(549):. doi: 10.1126/scisignal.aat7951

Publication date: September 25, 2018

PMID: 30254057

Nut Directs p300-Dependent, Genome-Wide H4 Hyperacetylation in Male Germ Cells.

Shiota H, Barral S, Buchou T, Tan M, Couté Y, Charbonnier G, Reynoird N, Boussouar F, Gérard M, Zhu M, Bargier L, Puthier D, Chuffart F, Bourova-Flin E, Picaud S, Filippakopoulos P, Goudarzi A, Ibrahim Z, Panne D, Rousseaux S, Zhao Y, Khochbin S

Cell Rep. 24(13):3477-3487.e6. doi: 10.1016/j.celrep.2018.08.069

Publication date: September 25, 2018

PMID: 30257209

Substrate binding allosterically relieves autoinhibition of the pseudokinase TRIB1.

Jamieson SA, Ruan Z, Burgess AE, Curry JR, McMillan HD, Brewster JL, Dunbier AK, Axtman AD, Kannan N, Mace PD

Sci Signal. 11(549):. doi: 10.1126/scisignal.aau0597

Publication date: September 25, 2018

PMID: 30254053

Chemical Instability and Promiscuity of Arylmethylidenepyrazolinone-based MDMX Inhibitors.

Stefaniak J, Lewis AM, Conole D, Galan SRG, Bataille CJR, Wynne GM, Castaldi MP, Lundbäck T, Russell AJ, Huber KVM

ACS Chem. Biol.. doi: 10.1021/acschembio.8b00665

Publication date: September 14, 2018

PMID: 30216042

Open innovation in neuroscience research and drug discovery.

Hunter AJ, Lee WH, Bountra C

Brain Neurosci Adv. 2:2398212818799270. doi: 10.1177/2398212818799270

Publication date: September 13, 2018

PMID: 32166150

Guaiacol as a drug candidate for treating adult polyglucosan body disease.

Kakhlon O, Ferreira I, Solmesky LJ, Khazanov N, Lossos A, Alvarez R, Yetil D, Pampou S, Weil M, Senderowitz H, Escriba P, Yue WW, Akman HO

JCI Insight. 3(17):. doi: 10.1172/jci.insight.99694

Publication date: September 6, 2018

PMID: 30185673

Extending the Code of Sequence Readout by Gene Regulatory Proteins: The Role of Hoogsteen Base Pairing in p53-DNA Recognition.

Joerger AC

Structure. 26(9):1163-1165. doi: 10.1016/j.str.2018.08.008

Publication date: September 4, 2018

PMID: 30184478

BRAF/MAPK and GSK3 signaling converges to control MITF nuclear export.

Ngeow KC, Friedrichsen HJ, Li L, Zeng Z, Andrews S, Volpon L, Brunsdon H, Berridge G, Picaud S, Fischer R, Lisle R, Knapp S, Filippakopoulos P, Knowles H, Steingrímsson E, Borden KLB, Patton EE, Goding CR

Proc. Natl. Acad. Sci. U.S.A.. doi: 10.1073/pnas.1810498115

Publication date: August 27, 2018

PMID: 30150413

The dual methyltransferase METTL13 targets N terminus and Lys55 of eEF1A and modulates codon-specific translation rates.

Jakobsson ME, Małecki JM, Halabelian L, Nilges BS, Pinto R, Kudithipudi S, Munk S, Davydova E, Zuhairi FR, Arrowsmith CH, Jeltsch A, Leidel SA, Olsen JV, Falnes PØ

Nat Commun. 9(1):3411. doi: 10.1038/s41467-018-05646-y

Publication date: August 24, 2018

PMID: 30143613

Architecture of the native major royal jelly protein 1 oligomer.

Tian W, Li M, Guo H, Peng W, Xue X, Hu Y, Liu Y, Zhao Y, Fang X, Wang K, Li X, Tong Y, Conlon MA, Wu W, Ren F, Chen Z

Nat Commun. 9(1):3373. doi: 10.1038/s41467-018-05619-1

Publication date: August 22, 2018

PMID: 30135511

NVP-BHG712: Effects of Regioisomers on the Affinity and Selectivity toward the EPHrin Family.

Tröster A, Heinzlmeir S, Berger BT, Gande SL, Saxena K, Sreeramulu S, Linhard V, Nasiri AH, Bolte M, Müller S, Kuster B, Médard G, Kudlinzki D, Schwalbe H

ChemMedChem. 13(16):1629-1633. doi: 10.1002/cmdc.201800398

Publication date: August 20, 2018

PMID: 29928781

Structural and atropisomeric factors governing the selectivity of pyrimido-benzodiazipinones as inhibitors of kinases and bromodomains.

Wang J, Erazo T, Ferguson FM, Buckley DL, Gomez N, Muñoz-Guardiola P, Diéguez-Martínez N, Deng X, Hao M, Massefski W, Fedorov O, Offei-Addo NK, Park PM, Dai L, DiBona A, Becht K, Kim ND, McKeown MR, Roberts JM, Zhang J, Sim T, Alessi DR, Bradner JE, Lizcano JM, Blacklow SC, Qi J, Xu X, Gray NS

ACS Chem. Biol.. doi: 10.1021/acschembio.7b00638

Publication date: August 13, 2018

PMID: 30102854

Novel Quinazolinone Inhibitors of ALK2 Flip between Alternate Binding Modes: Structure-Activity Relationship, Structural Characterization, Kinase Profiling, and Cellular Proof of Concept.

Hudson L, Mui J, Vázquez S, Carvalho DM, Williams E, Jones C, Bullock AN, Hoelder S

J. Med. Chem.. doi: 10.1021/acs.jmedchem.8b00782

Publication date: August 7, 2018

PMID: 30085668

Design, Synthesis and Biological Evaluation of 3-(Imidazo[1,2-a]pyrazin-3-ylethynyl)-4-isopropyl-N-(3-((4-methylpiperazin-1-yl)methyl)-5-(trifluoromethyl)phenyl)benzamide as Dual Inhibitors of Discoidin Domain Receptor 1 and 2 (DDR1/2).

Wang Z, Zhang Y, Pinkas D, Fox A, Luo J, Huang H, Cui S, Xiang Q, Xu T, Xun Q, Zhu D, Tu ZC, Ren X, Brekken RA, Bullock AN, Liang G, Ding K, Lu X

J. Med. Chem.. doi: 10.1021/acs.jmedchem.8b01045

Publication date: August 3, 2018

PMID: 30075624

GW779439X and its pyrazolopyridazine derivatives inhibit the serine/threonine kinase Stk1 and act as antibiotic adjuvants against β-lactam-resistant Staphylococcus aureus.

Schaenzer AJ, Wlodarchak N, Drewry D, Zuercher WJ, Rose WE, Ferrer CA, Sauer JD, Striker R

ACS Infect Dis. doi: 10.1021/acsinfecdis.8b00136

Publication date: July 30, 2018

PMID: 30059625

The Combination of Human Urinary Kallidinogenase and Mild Hypothermia Protects Adult Rats Against Hypoxic-Ischemic Encephalopathy-Induced Injury by Promoting Angiogenesis and Regeneration.

Gao X, Xie H, Zhu S, Yu B, Xian Y, Ouyang Q, Ji Y, Yang X, Wen C, Wang P, Tong Y, Wang Q

Front Aging Neurosci. 10:196. doi: 10.3389/fnagi.2018.00196

Publication date: July 28, 2018

PMID: 30050428

Identification of lead anti-human cytomegalovirus compounds targeting MAP4K4 via machine learning analysis of kinase inhibitor screening data.

Strang BL, Asquith CRM, Moshrif HF, Ho CM, Zuercher WJ, Al-Ali H

PLoS ONE. 13(7):e0201321. doi: 10.1371/journal.pone.0201321

Publication date: July 27, 2018

PMID: 30048526

Small molecule inhibitors reveal an indispensable scaffolding role of RIPK2 in NOD2 signaling.

Hrdinka M, Schlicher L, Dai B, Pinkas DM, Bufton JC, Picaud S, Ward JA, Rogers C, Suebsuwong C, Nikhar S, Cuny GD, Huber KV, Filippakopoulos P, Bullock AN, Degterev A, Gyrd-Hansen M

EMBO J.. doi: 10.15252/embj.201899372

Publication date: July 19, 2018

PMID: 30026309

Zinc(II) binding on human wild-type ISCU and Met140 variants modulates NFS1 desulfurase activity.

Fox NG, Martelli A, Nabhan JF, Janz J, Borkowska O, Bulawa C, Yue WW

Biochimie. doi: 10.1016/j.biochi.2018.07.012

Publication date: July 19, 2018

PMID: 30031876

Chemoproteomics and Chemical Probes for Target Discovery.

Drewes G, Knapp S

Trends Biotechnol.. doi: 10.1016/j.tibtech.2018.06.008

Publication date: July 12, 2018

PMID: 30017093

LLY-283, a Potent and Selective Inhibitor of Arginine Methyltransferase 5, PRMT5, with Antitumor Activity.

Bonday ZQ, Cortez GS, Grogan MJ, Antonysamy S, Weichert K, Bocchinfuso WP, Li F, Kennedy S, Li B, Mader MM, Arrowsmith CH, Brown PJ, Eram MS, Szewczyk MM, Barsyte-Lovejoy D, Vedadi M, Guccione E, Campbell RM

ACS Med Chem Lett. 9(7):612-617. doi: 10.1021/acsmedchemlett.8b00014

Publication date: July 12, 2018

PMID: 30034588