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Endothiapepsin in complex with fragment 206

NIAID Data Ecosystem2026-05-02 收录

蛋白质-配体相互作用

片段筛选

数据链接：

https://www.rcsb.org/structure/4Y5A 数据链接链接失效反馈

官方服务：

资源简介：

Endothiapepsin in complex with fragment 206

与片段206形成复合物的内座壳蛋白酶（Endothiapepsin）

应用场景：

创建时间：

2024-11-06

晶体结构解析

蛋白质-配体相互作用

Endopolygalacturonase I from Stereum purpureum complexed with a galacturonate at 1.00 A resolution. Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ENDOPOLYGALACTURONASE, ... Autho

Protein Data Bank Japan2024-11-20 更新30

Protein preparation (1LPB), docked structures of Bromhexine and Orlistat to Pancreatic Lipase, and MD simulations trajectories in 3 replicas.

药物虚拟筛选

蛋白质-配体相互作用

Data set contains 3 folders: 1) Protein preparation (1LPB) 2) XP Docking of Bromhexine and Orlistat 3) MD Simulation of Bromhexine and Orlistat (3 replicates)

Zenodo2024-11-04 更新00

Grb7 SH2 with inhibitor peptide

蛋白质-配体相互作用

药物靶点结构

Grb7 SH2 with inhibitor peptide

NIAID Data Ecosystem00

E. coli NfsA with nitrofurantoin

蛋白质-配体相互作用

硝基还原酶NfsA

E. coli NfsA with nitrofurantoin

NIAID Data Ecosystem10

PDB: 6SF6, Crystal structure of mAb 15A in complex with COMP-epitope P6 (313K, 40°C, 100 ns): random seed #2

蛋白质-配体相互作用

分子动力学模拟

Crystal structure of mAb 15A in complex with COMP-epitope P6 (313K, 40°C, 100 ns): random seed #2. Contains PDBs every 50 ns. Includes free binding energy calculations.

Harvard Dataverse2025-12-17 更新00

Endothiapepsin in complex with fragment 206

资源简介：

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