5KYK
 
 | | Covalent GTP-competitive inhibitors of KRAS G12C: Guanosine bisphosphonate Analogs | | Descriptor: | 5'-O-[(R)-[({2-[(chloroacetyl)amino]ethyl}sulfamoyl)methyl](hydroxy)phosphoryl]guanosine, GTPase KRas | | Authors: | Xiong, Y, Lu, J, Hunter, J, Li, L, Scott, D, Manandhar, A, Gondi, S, Westover, K.D, Gray, N.S. | | Deposit date: | 2016-07-21 | | Release date: | 2017-04-12 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.702 Å) | | Cite: | Covalent Guanosine Mimetic Inhibitors of G12C KRAS.
ACS Med Chem Lett, 8, 2017
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5J41
 | | Glutathione S-transferase bound with hydrolyzed Piperlongumine | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-(3,4,5-trimethoxyphenyl)propanoic acid, GLUTATHIONE, ... | | Authors: | Harshbarger, W, Gondi, S, Ficarro, S, Hunter, J, Udayakumar, D, Gurbani, D, Marto, J, Westover, K. | | Deposit date: | 2016-03-31 | | Release date: | 2016-11-30 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.19035351 Å) | | Cite: | Structural and Biochemical Analyses Reveal the Mechanism of Glutathione S-Transferase Pi 1 Inhibition by the Anti-cancer Compound Piperlongumine.
J. Biol. Chem., 292, 2017
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4WA7
 | | Crystal Structure of a GDP-bound Q61L Oncogenic Mutant of Human GT- Pase KRas | | Descriptor: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION | | Authors: | Hunter, J.C, Manandhar, A, Gurbani, D, Chen, Z, Westover, K.D. | | Deposit date: | 2014-08-28 | | Release date: | 2015-06-10 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.986 Å) | | Cite: | Biochemical and Structural Analysis of Common Cancer-Associated KRAS Mutations.
Mol Cancer Res., 13, 2015
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6O46
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5V71
 | | KRAS G12C in bound to quinazoline based switch II pocket (SWIIP) binder | | Descriptor: | 1-{4-[6-chloro-7-(2-fluorophenyl)quinazolin-4-yl]piperazin-1-yl}propan-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Westover, K, Lu, J. | | Deposit date: | 2017-03-17 | | Release date: | 2017-08-23 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.228 Å) | | Cite: | KRAS G12C Drug Development: Discrimination between Switch II Pocket Configurations Using Hydrogen/Deuterium-Exchange Mass Spectrometry.
Structure, 25, 2017
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6ATE
 | | SRC kinase bound to covalent inhibitor | | Descriptor: | N-{2-[(5-chloro-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]phenyl}propanamide, Proto-oncogene tyrosine-protein kinase Src | | Authors: | Gurbani, D, Westover, K.D. | | Deposit date: | 2017-08-28 | | Release date: | 2019-02-27 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.402 Å) | | Cite: | Leveraging Compound Promiscuity to Identify Targetable Cysteines within the Kinome.
Cell Chem Biol, 26, 2019
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6G54
 | | Crystal structure of ERK2 covalently bound to SM1-71 | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Mitogen-activated protein kinase 1, ... | | Authors: | Chaikuad, A, Suman, R, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gray, N.S, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2018-03-29 | | Release date: | 2019-02-27 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Leveraging Compound Promiscuity to Identify Targetable Cysteines within the Kinome.
Cell Chem Biol, 26, 2019
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6GES
 | | Crystal structure of ERK1 covalently bound to SM1-71 | | Descriptor: | 1,2-ETHANEDIOL, Mitogen-activated protein kinase 3, N-{2-[(5-chloro-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]phenyl}propanamide, ... | | Authors: | Chaikuad, A, Suman, R, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gray, N.S, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2018-04-27 | | Release date: | 2019-02-27 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Leveraging Compound Promiscuity to Identify Targetable Cysteines within the Kinome.
Cell Chem Biol, 26, 2019
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4TQ9
 | | Crystal Structure of a GDP-bound G12V Oncogenic Mutant of Human GTPase KRas | | Descriptor: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION | | Authors: | Hunter, J.C, Manandhar, A, Gurbani, D, Chen, Z, Westover, K.D. | | Deposit date: | 2014-06-10 | | Release date: | 2015-06-10 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.491 Å) | | Cite: | Biochemical and Structural Analysis of Common Cancer-Associated KRAS Mutations.
Mol Cancer Res., 13, 2015
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4QL3
 | | Crystal Structure of a GDP-bound G12R Oncogenic Mutant of Human GTPase KRas | | Descriptor: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION | | Authors: | Hunter, J.C, Manandhar, A, Gurbani, D, Chen, Z, Westover, K.D. | | Deposit date: | 2014-06-10 | | Release date: | 2015-06-10 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.041 Å) | | Cite: | Biochemical and Structural Analysis of Common Cancer-Associated KRAS Mutations.
Mol Cancer Res., 13, 2015
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4TQA
 | | Crystal Structure of a GDP-bound G13D Oncogenic Mutant of Human GTPase KRas | | Descriptor: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION | | Authors: | Hunter, J.C, Manandhar, A, Gurbani, D, Chen, Z, Westover, K.D. | | Deposit date: | 2014-06-10 | | Release date: | 2015-06-10 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.13 Å) | | Cite: | Biochemical and Structural Analysis of Common Cancer-Associated KRAS Mutations.
Mol Cancer Res., 13, 2015
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6BP1
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6ASA
 | | KRAS mutant-D33E in GDP-bound | | Descriptor: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION | | Authors: | Lu, J, Westover, K. | | Deposit date: | 2017-08-24 | | Release date: | 2018-01-24 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.545 Å) | | Cite: | KRAS Switch Mutants D33E and A59G Crystallize in the State 1 Conformation.
Biochemistry, 57, 2018
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6ASE
 | | KRAS mutant-A59G in GDP-bound | | Descriptor: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION | | Authors: | Westover, K, Lu, J. | | Deposit date: | 2017-08-24 | | Release date: | 2018-01-24 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.554 Å) | | Cite: | KRAS Switch Mutants D33E and A59G Crystallize in the State 1 Conformation.
Biochemistry, 57, 2018
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6BOF
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6MTA
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6MQG
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6MQN
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6O36
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6MNX
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6MS9
 | | GDP-bound KRAS P34R mutant | | Descriptor: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION | | Authors: | Bera, A.K, Westover, K.D. | | Deposit date: | 2018-10-16 | | Release date: | 2020-04-15 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | GTP hydrolysis is modulated by Arg34 in the RASopathy-associated KRASP34R.
Birth Defects Res, 112, 2020
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