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Items: 29

1.

Small molecule inhibitors reveal PTK6 kinase is not an oncogenic driver in breast cancers.

Qiu L, Levine K, Gajiwala KS, Cronin CN, Nagata A, Johnson E, Kraus M, Tatlock J, Kania R, Foley T, Sun S.

PLoS One. 2018 Jun 7;13(6):e0198374. doi: 10.1371/journal.pone.0198374. eCollection 2018.

2.

Optimization of Orally Bioavailable Enhancer of Zeste Homolog 2 (EZH2) Inhibitors Using Ligand and Property-Based Design Strategies: Identification of Development Candidate (R)-5,8-Dichloro-7-(methoxy(oxetan-3-yl)methyl)-2-((4-methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-3,4-dihydroisoquinolin-1(2H)-one (PF-06821497).

Kung PP, Bingham P, Brooun A, Collins M, Deng YL, Dinh D, Fan C, Gajiwala KS, Grantner R, Gukasyan HJ, Hu W, Huang B, Kania R, Kephart SE, Krivacic C, Kumpf RA, Khamphavong P, Kraus M, Liu W, Maegley KA, Nguyen L, Ren S, Richter D, Rollins RA, Sach N, Sharma S, Sherrill J, Spangler J, Stewart AE, Sutton S, Uryu S, Verhelle D, Wang H, Wang S, Wythes M, Xin S, Yamazaki S, Zhu H, Zhu J, Zehnder L, Edwards M.

J Med Chem. 2018 Feb 8;61(3):650-665. doi: 10.1021/acs.jmedchem.7b01375. Epub 2017 Dec 27.

PMID:
29211475
3.

Conserved RNA-binding specificity of polycomb repressive complex 2 is achieved by dispersed amino acid patches in EZH2.

Long Y, Bolanos B, Gong L, Liu W, Goodrich KJ, Yang X, Chen S, Gooding AR, Maegley KA, Gajiwala KS, Brooun A, Cech TR, Liu X.

Elife. 2017 Nov 29;6. pii: e31558. doi: 10.7554/eLife.31558.

4.

Proteome-wide Map of Targets of T790M-EGFR-Directed Covalent Inhibitors.

Niessen S, Dix MM, Barbas S, Potter ZE, Lu S, Brodsky O, Planken S, Behenna D, Almaden C, Gajiwala KS, Ryan K, Ferre R, Lazear MR, Hayward MM, Kath JC, Cravatt BF.

Cell Chem Biol. 2017 Nov 16;24(11):1388-1400.e7. doi: 10.1016/j.chembiol.2017.08.017. Epub 2017 Sep 28.

5.

The Axl kinase domain in complex with a macrocyclic inhibitor offers first structural insights into an active TAM receptor kinase.

Gajiwala KS, Grodsky N, Bolaños B, Feng J, Ferre R, Timofeevski S, Xu M, Murray BW, Johnson TW, Stewart A.

J Biol Chem. 2017 Sep 22;292(38):15705-15716. doi: 10.1074/jbc.M116.771485. Epub 2017 Jul 19.

6.

Discovery of N-((3R,4R)-4-Fluoro-1-(6-((3-methoxy-1-methyl-1H-pyrazol-4-yl)amino)-9-methyl-9H-purin-2-yl)pyrrolidine-3-yl)acrylamide (PF-06747775) through Structure-Based Drug Design: A High Affinity Irreversible Inhibitor Targeting Oncogenic EGFR Mutants with Selectivity over Wild-Type EGFR.

Planken S, Behenna DC, Nair SK, Johnson TO, Nagata A, Almaden C, Bailey S, Ballard TE, Bernier L, Cheng H, Cho-Schultz S, Dalvie D, Deal JG, Dinh DM, Edwards MP, Ferre RA, Gajiwala KS, Hemkens M, Kania RS, Kath JC, Matthews J, Murray BW, Niessen S, Orr ST, Pairish M, Sach NW, Shen H, Shi M, Solowiej J, Tran K, Tseng E, Vicini P, Wang Y, Weinrich SL, Zhou R, Zientek M, Liu L, Luo Y, Xin S, Zhang C, Lafontaine J.

J Med Chem. 2017 Apr 13;60(7):3002-3019. doi: 10.1021/acs.jmedchem.6b01894. Epub 2017 Mar 29.

PMID:
28287730
7.

Broad-Spectrum Kinase Profiling in Live Cells with Lysine-Targeted Sulfonyl Fluoride Probes.

Zhao Q, Ouyang X, Wan X, Gajiwala KS, Kath JC, Jones LH, Burlingame AL, Taunton J.

J Am Chem Soc. 2017 Jan 18;139(2):680-685. doi: 10.1021/jacs.6b08536. Epub 2017 Jan 4.

8.

Polycomb repressive complex 2 structure with inhibitor reveals a mechanism of activation and drug resistance.

Brooun A, Gajiwala KS, Deng YL, Liu W, Bolaños B, Bingham P, He YA, Diehl W, Grable N, Kung PP, Sutton S, Maegley KA, Yu X, Stewart AE.

Nat Commun. 2016 Apr 28;7:11384. doi: 10.1038/ncomms11384.

9.

Discovery of 1-{(3R,4R)-3-[({5-Chloro-2-[(1-methyl-1H-pyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)methyl]-4-methoxypyrrolidin-1-yl}prop-2-en-1-one (PF-06459988), a Potent, WT Sparing, Irreversible Inhibitor of T790M-Containing EGFR Mutants.

Cheng H, Nair SK, Murray BW, Almaden C, Bailey S, Baxi S, Behenna D, Cho-Schultz S, Dalvie D, Dinh DM, Edwards MP, Feng JL, Ferre RA, Gajiwala KS, Hemkens MD, Jackson-Fisher A, Jalaie M, Johnson TO, Kania RS, Kephart S, Lafontaine J, Lunney B, Liu KK, Liu Z, Matthews J, Nagata A, Niessen S, Ornelas MA, Orr ST, Pairish M, Planken S, Ren S, Richter D, Ryan K, Sach N, Shen H, Smeal T, Solowiej J, Sutton S, Tran K, Tseng E, Vernier W, Walls M, Wang S, Weinrich SL, Xin S, Xu H, Yin MJ, Zientek M, Zhou R, Kath JC.

J Med Chem. 2016 Mar 10;59(5):2005-24. doi: 10.1021/acs.jmedchem.5b01633. Epub 2016 Jan 28.

PMID:
26756222
10.

Effect of water solvation on the lipophilicity of isomeric pyrimidine-carboxamides.

Linton MA, Burke BJ, Johnson TW, Ninkovic S, Gajiwala KS, Richardson P, Le PT.

Bioorg Med Chem. 2015 Jul 1;23(13):3408-13. doi: 10.1016/j.bmc.2015.04.041. Epub 2015 Apr 22.

PMID:
25963824
11.

Pyrimidone-based series of glucokinase activators with alternative donor-acceptor motif.

Filipski KJ, Guzman-Perez A, Bian J, Perreault C, Aspnes GE, Didiuk MT, Dow RL, Hank RF, Jones CS, Maguire RJ, Tu M, Zeng D, Liu S, Knafels JD, Litchfield J, Atkinson K, Derksen DR, Bourbonais F, Gajiwala KS, Hickey M, Johnson TO, Humphries PS, Pfefferkorn JA.

Bioorg Med Chem Lett. 2013 Aug 15;23(16):4571-8. doi: 10.1016/j.bmcl.2013.06.036. Epub 2013 Jun 20.

PMID:
23831135
12.

EGFR: tale of the C-terminal tail.

Gajiwala KS.

Protein Sci. 2013 Jul;22(7):995-9. doi: 10.1002/pro.2283. Epub 2013 Jun 11.

13.

Ack1: activation and regulation by allostery.

Gajiwala KS, Maegley K, Ferre R, He YA, Yu X.

PLoS One. 2013;8(1):e53994. doi: 10.1371/journal.pone.0053994. Epub 2013 Jan 14.

14.

Insights into the aberrant activity of mutant EGFR kinase domain and drug recognition.

Gajiwala KS, Feng J, Ferre R, Ryan K, Brodsky O, Weinrich S, Kath JC, Stewart A.

Structure. 2013 Feb 5;21(2):209-19. doi: 10.1016/j.str.2012.11.014. Epub 2012 Dec 27.

15.

Design strategies to target crystallographic waters applied to the Hsp90 molecular chaperone.

Kung PP, Sinnema PJ, Richardson P, Hickey MJ, Gajiwala KS, Wang F, Huang B, McClellan G, Wang J, Maegley K, Bergqvist S, Mehta PP, Kania R.

Bioorg Med Chem Lett. 2011 Jun 15;21(12):3557-62. doi: 10.1016/j.bmcl.2011.04.130. Epub 2011 May 5.

PMID:
21612924
16.

Optimization of potent, selective, and orally bioavailable pyrrolodinopyrimidine-containing inhibitors of heat shock protein 90. Identification of development candidate 2-amino-4-{4-chloro-2-[2-(4-fluoro-1H-pyrazol-1-yl)ethoxy]-6-methylphenyl}-N-(2,2-difluoropropyl)-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxamide.

Zehnder L, Bennett M, Meng J, Huang B, Ninkovic S, Wang F, Braganza J, Tatlock J, Jewell T, Zhou JZ, Burke B, Wang J, Maegley K, Mehta PP, Yin MJ, Gajiwala KS, Hickey MJ, Yamazaki S, Smith E, Kang P, Sistla A, Dovalsantos E, Gehring MR, Kania R, Wythes M, Kung PP.

J Med Chem. 2011 May 12;54(9):3368-85. doi: 10.1021/jm200128m. Epub 2011 Apr 20.

PMID:
21438541
17.

Drug binding and resistance mechanism of KIT tyrosine kinase revealed by hydrogen/deuterium exchange FTICR mass spectrometry.

Zhang HM, Yu X, Greig MJ, Gajiwala KS, Wu JC, Diehl W, Lunney EA, Emmett MR, Marshall AG.

Protein Sci. 2010 Apr;19(4):703-15. doi: 10.1002/pro.347.

18.

Dihydroxyphenylisoindoline amides as orally bioavailable inhibitors of the heat shock protein 90 (hsp90) molecular chaperone.

Kung PP, Huang B, Zhang G, Zhou JZ, Wang J, Digits JA, Skaptason J, Yamazaki S, Neul D, Zientek M, Elleraas J, Mehta P, Yin MJ, Hickey MJ, Gajiwala KS, Rodgers C, Davies JF, Gehring MR.

J Med Chem. 2010 Jan 14;53(1):499-503. doi: 10.1021/jm901209q.

PMID:
19908836
19.

Crystal structures of bacterial FabH suggest a molecular basis for the substrate specificity of the enzyme.

Gajiwala KS, Margosiak S, Lu J, Cortez J, Su Y, Nie Z, Appelt K.

FEBS Lett. 2009 Sep 3;583(17):2939-46. doi: 10.1016/j.febslet.2009.08.001. Epub 2009 Aug 6.

20.

Solution-phase parallel synthesis of Hsp90 inhibitors.

Cho-Schultz S, Patten MJ, Huang B, Elleraas J, Gajiwala KS, Hickey MJ, Wang J, Mehta PP, Kang P, Gehring MR, Kung PP, Sutton SC.

J Comb Chem. 2009 Sep-Oct;11(5):860-74. doi: 10.1021/cc900056d.

PMID:
19583220
21.

KIT kinase mutants show unique mechanisms of drug resistance to imatinib and sunitinib in gastrointestinal stromal tumor patients.

Gajiwala KS, Wu JC, Christensen J, Deshmukh GD, Diehl W, DiNitto JP, English JM, Greig MJ, He YA, Jacques SL, Lunney EA, McTigue M, Molina D, Quenzer T, Wells PA, Yu X, Zhang Y, Zou A, Emmett MR, Marshall AG, Zhang HM, Demetri GD.

Proc Natl Acad Sci U S A. 2009 Feb 3;106(5):1542-7. doi: 10.1073/pnas.0812413106. Epub 2009 Jan 21.

22.

Structural analysis of a set of proteins resulting from a bacterial genomics project.

Badger J, Sauder JM, Adams JM, Antonysamy S, Bain K, Bergseid MG, Buchanan SG, Buchanan MD, Batiyenko Y, Christopher JA, Emtage S, Eroshkina A, Feil I, Furlong EB, Gajiwala KS, Gao X, He D, Hendle J, Huber A, Hoda K, Kearins P, Kissinger C, Laubert B, Lewis HA, Lin J, Loomis K, Lorimer D, Louie G, Maletic M, Marsh CD, Miller I, Molinari J, Muller-Dieckmann HJ, Newman JM, Noland BW, Pagarigan B, Park F, Peat TS, Post KW, Radojicic S, Ramos A, Romero R, Rutter ME, Sanderson WE, Schwinn KD, Tresser J, Winhoven J, Wright TA, Wu L, Xu J, Harris TJ.

Proteins. 2005 Sep 1;60(4):787-96.

PMID:
16021622
23.

Structure-based design, synthesis, and study of potent inhibitors of beta-ketoacyl-acyl carrier protein synthase III as potential antimicrobial agents.

Nie Z, Perretta C, Lu J, Su Y, Margosiak S, Gajiwala KS, Cortez J, Nikulin V, Yager KM, Appelt K, Chu S.

J Med Chem. 2005 Mar 10;48(5):1596-609.

PMID:
15743201
24.
25.

Structural studies of Salmonella typhimurium ArnB (PmrH) aminotransferase: a 4-amino-4-deoxy-L-arabinose lipopolysaccharide-modifying enzyme.

Noland BW, Newman JM, Hendle J, Badger J, Christopher JA, Tresser J, Buchanan MD, Wright TA, Rutter ME, Sanderson WE, Müller-Dieckmann HJ, Gajiwala KS, Buchanan SG.

Structure. 2002 Nov;10(11):1569-80.

26.

Structure of the winged-helix protein hRFX1 reveals a new mode of DNA binding.

Gajiwala KS, Chen H, Cornille F, Roques BP, Reith W, Mach B, Burley SK.

Nature. 2000 Feb 24;403(6772):916-21.

PMID:
10706293
27.

Winged helix proteins.

Gajiwala KS, Burley SK.

Curr Opin Struct Biol. 2000 Feb;10(1):110-6. Review.

PMID:
10679470
28.

HDEA, a periplasmic protein that supports acid resistance in pathogenic enteric bacteria.

Gajiwala KS, Burley SK.

J Mol Biol. 2000 Jan 21;295(3):605-12.

PMID:
10623550
29.

Weight-reducing effects of the plasma protein encoded by the obese gene.

Halaas JL, Gajiwala KS, Maffei M, Cohen SL, Chait BT, Rabinowitz D, Lallone RL, Burley SK, Friedman JM.

Science. 1995 Jul 28;269(5223):543-6.

PMID:
7624777

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