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Source data for Berger et. al Computational design of potent and selective binders of BAK and BAX

NIAID Data Ecosystem2026-05-02 收录

靶点药物设计

蛋白质工程计算

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Source data for Berger et. al Computational design of potent and selective binders of BAK and BAX

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创建时间：

2024-07-11

抑制剂结构

靶点药物设计

Co-crytsal Structure of MNK2 in Complex With an Inhibitor Descriptor: (3R)-3-methyl-5-[(pyrimidin-4-yl)amino]-2,3-dihydro-1H-isoindol-1-one, CHLORIDE ION, MAP kinase-interacting serine/threonine-prote

Protein Data Bank Japan2024-10-09 更新90

Activity Enhancers of H64A Variant of Human Carbonic Anhydrase II Possess Multiple Binding Sites within and around the Enzyme Structure

结构生物学

靶点药物设计

Activity Enhancers of H64A Variant of Human Carbonic Anhydrase II Possess Multiple Binding Sites within and around the Enzyme Structure Descriptor: 4-METHYLIMIDAZOLE, Carbonic anhydrase 2, ZINC ION Au

Protein Data Bank Japan2024-02-28 更新40

Crystal structure of 4-methylpyridine-2(1H)-thione bound to human carbonic anhydrase II

蛋白质-配体复合物结构

靶点药物设计

Crystal structure of 4-methylpyridine-2(1H)-thione bound to human carbonic anhydrase II Descriptor: 4-methylpyridine-2(1H)-thione, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... Authors: Martin, D.P, C

Protein Data Bank Japan2023-09-20 更新30

Protein model score of the predicted wild and alanine to valine substitution.

蛋白质突变预测

蛋白质工程计算

Protein model score of the predicted wild and alanine to valine substitution.

NIAID Data Ecosystem50

Role of Cys-298 in specific recognition of glutathione by aldose reductase

分子动力学模拟

靶点药物设计

Aldose reductase (AR) is an NADPH-dependent oxidoreductase that is well-studied for its role in Diabetes Mellitus. Glutathione conjugated aldehydes are efficiently catalysed by AR. We have employed mo

NIAID Data Ecosystem40

Source data for Berger et. al Computational design of potent and selective binders of BAK and BAX

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