EGFR kinase domain complexed with compound 20a Descriptor: 4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-N-[2-(methylsulfonyl)ethyl]-8,9-dihydro-7H-pyrimido[4,5-b]azepine-6-carboxamide, Epi

Protein Data Bank Japan2023-11-08 更新50

Crystal Structures of Ask1-inhibitor Complexes

结构生物学

药物设计

Crystal Structures of Ask1-inhibitor Complexes Descriptor: 5-[(1R)-2-amino-1-phenylethoxy]-2-(furan-3-yl)-3-{1H-pyrrolo[2,3-b]pyridin-3-yl}pyridine, ACETATE ION, MITOGEN-ACTIVATED PROTEIN KINASE KINAS

Protein Data Bank Japan2023-12-20 更新70

Crystal structure of NDM-1 in complex with D-captopril derivative wss05008

蛋白质晶体学

药物设计

Crystal structure of NDM-1 in complex with D-captopril derivative wss05008 Descriptor: 1-[(2S)-2-methyl-3-sulfanyl-propanoyl]piperidine-4-carboxamide, Metallo-beta-lactamase type 2, ZINC ION Authors:

Protein Data Bank Japan2023-11-22 更新60

The binding free energy by MMGBSA (kJ/mol).

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