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Docking results of coumarin derivatives on glutathione and mycothione reductases

Mendeley Data2018-07-19 更新2026-04-09 收录

药物设计

酶靶点筛选

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https://data.mendeley.com/datasets/3th33fs5vv/1 数据链接链接失效反馈

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Data tables of the docking results of coumarin derivatives on Gtr and Mtr reductases

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创建时间：

2018-07-19

结构生物学

药物设计

Crystal Structures of Ask1-inhibitor Complexes Descriptor: 5-[(1R)-2-amino-1-phenylethoxy]-2-(furan-3-yl)-3-{1H-pyrrolo[2,3-b]pyridin-3-yl}pyridine, ACETATE ION, MITOGEN-ACTIVATED PROTEIN KINASE KINAS

Protein Data Bank Japan2023-12-20 更新70

Additional file 1 of QPHAR: quantitative pharmacophore activity relationship: method and validation

药物设计

药效团分析

Additional file 1. Metadata of all datasets used for CV studies with 20–80 split.

DataCite Commons2021-08-10 更新70

EGFR kinase domain complexed with compound 20a

分子结构

药物设计

EGFR kinase domain complexed with compound 20a Descriptor: 4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-N-[2-(methylsulfonyl)ethyl]-8,9-dihydro-7H-pyrimido[4,5-b]azepine-6-carboxamide, Epi

Protein Data Bank Japan2023-11-08 更新50

X-ray diffraction images for the protein Mtb-AnPRT crystallised in the presence of the ligand

蛋白质结构

药物设计

Two macromolecular X-ray diffraction datasets were collected that correspond to co-crystal and soaking experiments with the same ligand and protein. X-ray diffraction images were collected at the Aust

Mendeley Data2024-06-25 更新70

Binding pocket trajectories for CTX-M9 L48A

分子动力学

药物设计

Gromacs trajectory files and reference PDB for drug binding pocket atoms, computed using TPR of the full solvated acylenzyme. These trajectories were used for mutual information feature selection and

DataONE2017-07-25 更新70

Docking results of coumarin derivatives on glutathione and mycothione reductases

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