Crystal structure of D-alanine-D-alnine ligase from Xanthomonas oryzae pv. oryzae with ATP

NIAID Data Ecosystem2026-05-01 收录

病原体结构解析

基于结构的药物设计

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Crystal structure of D-alanine-D-alnine ligase from Xanthomonas oryzae pv. oryzae with ATP

创建时间：

2023-11-01

Macrophage Migration Inhibitory Factor in complex with a Naphthyridinone Inhibitor (4a)

蛋白质-配体复合物结构

基于结构的药物设计

Macrophage Migration Inhibitory Factor in complex with a Naphthyridinone Inhibitor (4a) Descriptor: 2-[1-(3-fluoro-4-hydroxyphenyl)-1H-1,2,3-triazol-4-yl]-7-methyl-1,7-naphthyridin-8(7H)-one, Macropha

Protein Data Bank Japan2023-10-04 更新60

Impact of Different Automated Binding Pose Generation Approaches on Relative Binding Free Energy Simulations

药物结合亲和力预测

基于结构的药物设计

Relative binding free energy (RBFE) prediction methods such as free energy perturbation (FEP) are important today for estimating protein–ligand binding affinities. Significant hardware and algorithmic

Figshare2020-01-28 更新50

X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with an inhibitor 617

蛋白质结构解析

基于结构的药物设计

X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with an inhibitor 617 Descriptor: (2~{S})-2-[[(2~{S})-6-[[(2~{S})-3-naphthalen-2-yl-2-[[4-[[2-[(11~{Z})-4,7,10-tris(2-hydroxy-

Protein Data Bank Japan2026-03-04 更新20

Human Carbonic Anhydrase II in complex with a furan-containing benzenesulfonamide

蛋白质-小分子复合物结构

基于结构的药物设计

Human Carbonic Anhydrase II in complex with a furan-containing benzenesulfonamide Descriptor: (4-CARBOXYPHENYL)(CHLORO)MERCURY, 4-(furan-2-ylmethylamino)benzenesulfonamide, Carbonic anhydrase 2, ... A

Protein Data Bank Japan2024-01-24 更新50

Heparanase P6 in complex with fragment J40

蛋白质结构解析

基于结构的药物设计

Heparanase P6 in complex with fragment J40 Descriptor: 2-({[(1S)-1-cyclopropylethyl](methyl)amino}methyl)quinazolin-4(3H)-one, Heparanase 50 kDa subunit, Heparanase 8 kDa subunit, ... Authors: Davies,

Protein Data Bank Japan2026-03-04 更新30

Crystal structure of D-alanine-D-alnine ligase from Xanthomonas oryzae pv. oryzae with ATP

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