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Exploring the ligand binding and conformational dynamics of receptor domain 1 of the ABC transporter GlnPQ

NIAID Data Ecosystem2026-05-10 收录

蛋白质动力学模拟

受体-配体相互作用

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Exploring the ligand binding and conformational dynamics of receptor domain 1 of the ABC transporter GlnPQ

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创建时间：

2026-03-04

蛋白质动力学模拟

蛋白质相互作用

The Escherichia coli UraA H+-uracil symporter is a member of the nucleobase/ascorbate transporter (NAT) family of proteins, and is responsible for the proton-driven uptake of uracil. Multiscale molecu

NIAID Data Ecosystem70

Crystal structure of an MMP broad spectrum hydroxamate based inhibitor CC27 in complex with the MMP-9 catalytic domain

MMP-9抑制剂复合物晶体结构

受体-配体相互作用

Crystal structure of an MMP broad spectrum hydroxamate based inhibitor CC27 in complex with the MMP-9 catalytic domain Descriptor: CALCIUM ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... Authors: Stura, E.A

Protein Data Bank Japan2023-09-20 更新50

Exploring Halogen Bonds in 5‑Hydroxytryptamine 2B Receptor–Ligand Interactions

药物分子设计

受体-配体相互作用

Here, we predicted the potential halogen bonding interaction between compound 2 and the 5-hydroxytryptamine 2B (5-HT2B) receptor and systematically assessed this interaction via structure–activity rel

Figshare2018-10-01 更新20

GTT-1-protein-067.dcd

蛋白质动力学模拟

结构域行为分析

Trajectories dataTrajectories of WW domain

Figshare2020-04-23 更新60

Protein trajectories

蛋白质动力学模拟

构象转变

Protein trajectories analyzed in the paper "Computer simulations reveal changes in the conformational space of the transcriptional regulator MosR upon the formation of a disulphide bond an in the coll

Figshare2018-02-09 更新30

Exploring the ligand binding and conformational dynamics of receptor domain 1 of the ABC transporter GlnPQ

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