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Structure of the human mitochondrial pyruvate carrier inhibited by mitoglitazone

NIAID Data Ecosystem2026-05-02 收录

线粒体丙酮酸载体

药物-靶点相互作用

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https://www.rcsb.org/structure/9GIY 数据链接链接失效反馈

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资源简介：

Structure of the human mitochondrial pyruvate carrier inhibited by mitoglitazone

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创建时间：

2025-05-07

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分子对接残基分析

Contact residues for the eight selected small molecules. All residues contain are within 4 Å of a ligand atom. Residues in bold are common to all six ligands.

Figshare2015-12-02 更新50

additional data

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化学信息学

df.parquet.gzip is processed raw data. This has some genes but is not fully overwrapped with training/test data drug2actions.csv is processd data that has information about drugs' effectiveness. drug2

Zenodo2023-11-09 更新30

MM-GBSA binding energy calculation of bonded and non-bonded interactions of CID_5280445 with 1z8r after every 10 ns from MD Simulation trajectories.

分子对接

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MM-GBSA binding energy calculation of bonded and non-bonded interactions of CID_5280445 with 1z8r after every 10 ns from MD Simulation trajectories.

Figshare2023-08-30 更新20

Naegleria fowleri CYP51-fluconazole complex

抗阿米巴药物

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Naegleria fowleri CYP51-fluconazole complex

NIAID Data Ecosystem30

Residues present around the 4 Å distances of DAMA-colchicine in tubulin 1SA0 and tubulin isotypes after simulation.