How nature bridges the gap: Crystallographic elucidation of pyridomycin binding to InhA

NIAID Data Ecosystem2026-05-02 收录

抗结核药物靶点

蛋白质-配体结合

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How nature bridges the gap: Crystallographic elucidation of pyridomycin binding to InhA

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2024-05-08

Large-Scale Application of High-Throughput Molecular Mechanics with Poisson−Boltzmann Surface Area for Routine Physics-Based Scoring of Protein−Ligand Complexes

蛋白质-配体结合

药物发现计算

We apply a high-throughput formulation of the molecular mechanics with Poisson−Boltzmann surface area (htMM-PBSA) to estimate relative binding potencies on a set of 308 small-molecule ligands in compl

NIAID Data Ecosystem70

A Role for Both Conformational Selection and Induced Fit in Ligand Binding by the LAO Protein

蛋白质-配体结合

药物设计

Molecular recognition is determined by the structure and dynamics of both a protein and its ligand, but it is difficult to directly assess the role of each of these players. In this study, we use Mark

Figshare2016-01-18 更新40

Structure of Anthranilate Synthase Component I (TrpE) from Mycobacterium tuberculosis with inhibitor bound

蛋白质结构解析

抗结核药物靶点

Structure of Anthranilate Synthase Component I (TrpE) from Mycobacterium tuberculosis with inhibitor bound

NIAID Data Ecosystem30

Structure of Mycobacterium Tuberculosis Transcriptional Regulatory Repressor Protein (EthR) in complex with fragment 7G9.

蛋白质复合物结构解析

抗结核药物靶点

Structure of Mycobacterium Tuberculosis Transcriptional Regulatory Repressor Protein (EthR) in complex with fragment 7G9.

NIAID Data Ecosystem50

Mycobacterium tuberculosis gyrase type IIA topoisomerase C-terminal domain at 1.4 A resolution

结核分枝杆菌激酶结构解析

抗结核药物靶点

Mycobacterium tuberculosis gyrase type IIA topoisomerase C-terminal domain at 1.4 A resolution Descriptor: DNA gyrase subunit A Authors: Darmon, A, Piton, J, Petrella, S, Aubry, A, Mayer, C. Deposit d

Protein Data Bank Japan2023-09-13 更新40

How nature bridges the gap: Crystallographic elucidation of pyridomycin binding to InhA

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