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Example data for fragalysis uploads
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2021-06-10
相关数据集
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000400552187_N3
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000400552187_N3 Descriptor: 3-{3-[(3S)-oxolan-3-yl]propyl}-3H-purin-6-amine, Non-structural pro
Protein Data Bank Japan2024-05-22 更新90
Docking scores and energy minimization of target proteins.
Molecular docking using models of receptor (protein) and ligand (Testosterone) was carried out using Schrodinger Glide Maestro, USA software. GPCR 205 displayed highest docking score of -8.3Kcal/mol.
Figshare2020-09-03 更新30
Identification of key amino acid residues in the hTGR5–nomilin interaction and construction of its binding model
TGR5, a member of the G protein-coupled receptor (GPCR) family, is activated by bile acids. Because TGR5 promotes energy expenditure and improves glucose homeostasis, it is recognized as a key target
NIAID Data Ecosystem20
BindingDB Entry 50018784: Single-digit nanomolar inhibitors lock the aromatase active site via a dualsteric targeting strategy.
Small molecule binding data for protein Aromatase, Uniprot P11511
DataCite Commons2024-04-26 更新60
The docking parameters and scores of hub targets with their optimal ligands.
The docking parameters and scores of hub targets with their optimal ligands.
Figshare2025-10-03 更新20
