首页/数据集/Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1268

Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1268

NIAID Data Ecosystem2026-05-01 收录

寄生虫靶点结构

基于结构的药物设计

数据链接：

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

官方服务：

资源简介：

Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1268

应用场景：

创建时间：

2024-02-28

相关数据集

Ligand binding to FARNESOID-X-RECEPTOR

蛋白-配体结构解析

基于结构的药物设计

Ligand binding to FARNESOID-X-RECEPTOR Descriptor: 3-chloro-4-({(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)benzoic acid, Bile acid receptor, COACTIVATOR PEP

Protein Data Bank Japan2024-11-06 更新100

Crystal structure of human Beta secretase complexed with inhibitor

阿尔茨海默病

基于结构的药物设计

Crystal structure of human Beta secretase complexed with inhibitor Descriptor: 3-{2-[(5-AMINOPENTYL)AMINO]-2-OXOETHOXY}-5-({[1-(4-FLUOROPHENYL)ETHYL]AMINO}CARBONYL)PHENYL PHENYLMETHANESULFONATE, Beta-

Protein Data Bank Japan2024-10-16 更新60

Crystal structure of the Ilheus virus helicase: implications for enzyme function and drug design

病毒蛋白结构解析

基于结构的药物设计

Crystal structure of the Ilheus virus helicase: implications for enzyme function and drug design Descriptor: 1,2-ETHANEDIOL, GLYCEROL, NS3 helicase Authors: Wang, D.P, Wang, M.Y, Zhou, X, Wang, W.M, C

Protein Data Bank Japan2023-11-29 更新40

Structure-Based Drug Design and Structural Biology Study of Novel Nonpeptide Inhibitors of SARS-CoV Main Protease

基于结构的药物设计

冠状病毒抑制剂

Structure-Based Drug Design and Structural Biology Study of Novel Nonpeptide Inhibitors of SARS-CoV Main Protease

NIAID Data Ecosystem60

Impact of Different Automated Binding Pose Generation Approaches on Relative Binding Free Energy Simulations

药物结合亲和力预测

基于结构的药物设计

Relative binding free energy (RBFE) prediction methods such as free energy perturbation (FEP) are important today for estimating protein–ligand binding affinities. Significant hardware and algorithmic

Figshare2020-01-28 更新50