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5V71
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BU of 5v71 by Molmil
KRAS G12C in bound to quinazoline based switch II pocket (SWIIP) binder
分子名称: 1-{4-[6-chloro-7-(2-fluorophenyl)quinazolin-4-yl]piperazin-1-yl}propan-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
著者Westover, K, Lu, J.
登録日2017-03-17
公開日2017-08-23
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.228 Å)
主引用文献KRAS G12C Drug Development: Discrimination between Switch II Pocket Configurations Using Hydrogen/Deuterium-Exchange Mass Spectrometry.
Structure, 25, 2017
5V9O
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BU of 5v9o by Molmil
KRAS G12C inhibitor
分子名称: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Westover, K, Lu, J.
登録日2017-03-23
公開日2017-08-23
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Potent and Selective Covalent Quinazoline Inhibitors of KRAS G12C.
Cell Chem Biol, 24, 2017
5V9L
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BU of 5v9l by Molmil
KRAS G12C in bound to quinazoline based switch II pocket (SWIIP) binder
分子名称: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Westover, K, Lu, J.
登録日2017-03-23
公開日2017-08-23
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.981 Å)
主引用文献Potent and Selective Covalent Quinazoline Inhibitors of KRAS G12C.
Cell Chem Biol, 24, 2017
6ASE
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BU of 6ase by Molmil
KRAS mutant-A59G in GDP-bound
分子名称: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
著者Westover, K, Lu, J.
登録日2017-08-24
公開日2018-01-24
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.554 Å)
主引用文献KRAS Switch Mutants D33E and A59G Crystallize in the State 1 Conformation.
Biochemistry, 57, 2018
5V5N
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BU of 5v5n by Molmil
Crystal structure of Takinib bound to TAK1
分子名称: Mitogen-activated protein kinase kinase kinase 7/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 chimera, N~1~-(1-propyl-1,3-dihydro-2H-benzimidazol-2-ylidene)benzene-1,3-dicarboxamide
著者Gurbani, D, Westover, K, Bera, A.K.
登録日2017-03-14
公開日2017-08-30
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.006 Å)
主引用文献Takinib, a Selective TAK1 Inhibitor, Broadens the Therapeutic Efficacy of TNF-alpha Inhibition for Cancer and Autoimmune Disease.
Cell Chem Biol, 24, 2017
6E6E
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BU of 6e6e by Molmil
DGY-06-116, a novel and selective covalent inhibitor of SRC kinase
分子名称: N-(2-chloro-6-methylphenyl)-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-4-{[2-(propanoylamino)phenyl]amino}pyrimidine-5-carboxamide, Proto-oncogene tyrosine-protein kinase Src
著者Gurbani, D, Bera, A, Westover, K.
登録日2018-07-24
公開日2019-07-31
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structure and Characterization of a Covalent Inhibitor of Src Kinase.
Front Mol Biosci, 7, 2020
6ASA
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BU of 6asa by Molmil
KRAS mutant-D33E in GDP-bound
分子名称: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
著者Lu, J, Westover, K.
登録日2017-08-24
公開日2018-01-24
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.545 Å)
主引用文献KRAS Switch Mutants D33E and A59G Crystallize in the State 1 Conformation.
Biochemistry, 57, 2018
5J41
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BU of 5j41 by Molmil
Glutathione S-transferase bound with hydrolyzed Piperlongumine
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-(3,4,5-trimethoxyphenyl)propanoic acid, GLUTATHIONE, ...
著者Harshbarger, W, Gondi, S, Ficarro, S, Hunter, J, Udayakumar, D, Gurbani, D, Marto, J, Westover, K.
登録日2016-03-31
公開日2016-11-30
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.19035351 Å)
主引用文献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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件を2024-08-28に公開中

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