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Crystal Structure of SME-1 Class A Carbapenemase in complex with Durlobactam

NIAID Data Ecosystem2026-05-02 收录

碳青霉烯酶抑制机制

药物-靶标结合

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Crystal Structure of SME-1 Class A Carbapenemase in complex with Durlobactam

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创建时间：

2025-07-02

药物-靶标结合

分子生态学方法优化

Engineering chemical entities to modify how pharmaceutical targets function, as it is done in drug design, requires a good understanding of molecular recognition and binding. In this context, the limi

NIAID Data Ecosystem60

Deglucobalhimycin in complex with cell wall pentapeptide

抗生素耐药机制

药物-靶标结合

Deglucobalhimycin in complex with cell wall pentapeptide

NIAID Data Ecosystem30

X-ray crystal structure of darunavir-resistant-P51 HIV-1 protease in complex with GRL-121

HIV-1蛋白酶耐药突变

药物-靶标结合

X-ray crystal structure of darunavir-resistant-P51 HIV-1 protease in complex with GRL-121 Descriptor: (3S,3aR,5R,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl {(2S,3R)-4-[{[2-(cyclopropylamino

Protein Data Bank Japan2024-12-25 更新20

Unbinding of Translocator Protein 18 kDa (TSPO) Ligands: From in Vitro Residence Time to in Vivo Efficacy via in Silico Simulations

药物-靶标结合

分子动力学模拟

Translocator protein 18 kDa (TSPO) is a validated pharmacological target for the development of new treatments for neurological disorders. N,N-Dialkyl-2-phenylindol-3-ylglyoxylamides (PIGAs) are effec

NIAID Data Ecosystem40

Drug-target residence time data

药物-靶标结合

药物发现

Drug-target residence time data: - residence_time_data.xlsx contains information about target residence time and other binding kinetics coefficients, basic ligand properties like simplified molecular-

NIAID Data Ecosystem20

Crystal Structure of SME-1 Class A Carbapenemase in complex with Durlobactam

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