首页/数据集/Crystal structure of A2AAR-BRIL in complex with the antagonist ZM241385 produced from Pichia pastoris

Crystal structure of A2AAR-BRIL in complex with the antagonist ZM241385 produced from Pichia pastoris

NIAID Data Ecosystem2026-05-02 收录

GPCR结构生物学

药物-靶点相互作用

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https://www.rcsb.org/structure/6AQF 数据链接链接失效反馈

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资源简介：

Crystal structure of A2AAR-BRIL in complex with the antagonist ZM241385 produced from Pichia pastoris

应用场景：

创建时间：

2024-10-16

药物-靶点相互作用

计算生物学方法

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Insight into the Role of Active Site Protonation States and Water Molecules in the Catalytic Inhibition of DPP4 by Vildagliptin

酶催化模拟

药物-靶点相互作用

Vildagliptin (VIL) is an antidiabetic drug that inhibits dipeptidyl peptidase-4 (DPP4) through a covalent mechanism. The molecular bases for this inhibitory process have been addressed experimentally

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Structure of the A2A-StaR2-bRIL562-Vipadenant complex at 2.6A obtained from in meso soaking experiments.

GPCR结构生物学

药物靶点复合物

Structure of the A2A-StaR2-bRIL562-Vipadenant complex at 2.6A obtained from in meso soaking experiments. Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3-[(4-azanyl-3-methyl-phenyl)methyl

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Deep-Learning-Based Drug–Target Interaction Prediction

药物-靶点相互作用

药物重定位

Identifying interactions between known drugs and targets is a major challenge in drug repositioning. In silico prediction of drug–target interaction (DTI) can speed up the expensive and time-consuming

Figshare2017-03-13 更新60

Summary of novel drug and target interactions.

药物-靶点相互作用

新药发现

Summary of novel drug and target interactions.

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