Both structural information and binding data of biomolecular complexes are indispensable for depicting the underlying mechanism in such an event. The PDBbind database was created to collect experimentally measured binding data for the biomolecular complexes throughout the Protein Data Bank (PDB). It ...
collecting binding data for the protein-ligand complexes in the Protein Data Bank. Currently, the PDBbind collection of binding data is rather modest as compared to the ChEMBL collection (13000 versus 1.3 million). One may suspect if the former is actually a subset of the latter. In this ...
The binding sites for all ligands in the Protein Data Bank (PDB) were clustered by binding site similarity, and the ligands that bind to many dissimilar binding sites were identified as multi-modal binding ligands. The mono-binding ... K Park,S Lee,HS Ahn,... - 《Molecular Biosystems》 ...
The sc-PDB is a collection of 6 415 three-dimensional structures of binding sites found in the Protein Data Bank (PDB). Binding sites were extracted from all high-resolution crystal structures in which a complex between a protein cavity and a small-molecular-weight ligand could be identified....
Code for paper "Improving generalisability of 3D binding affinity models in low data regimes" - Exscientia/low-sim-pdbbind
p pBackground/p pIn the research on protein functional sites, researchers often need to identify binding-site residues on a protein. A commonly used strategy is to find a complex structure from the Protein Data Bank (PDB) that consists of the protein of interest and its interacting partner(s...
This binding sites where shown within 5.0 Angstroms radius around Uranium atom. In total 8 binding sites of Uranium where determined in the Oligopeptide Binding Protein (Oppa) Complexed with Tri- Lysine, PDB code: 2olb: Jump to Uranium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; ...
This binding sites where shown within 5.0 Angstroms radius around Uranium atom. In total 8 binding sites of Uranium where determined in the Oligo-Peptide Binding Protein/Tripeptide (Lys Hpe Lys) Complex, PDB code: 1b1h: Jump to Uranium binding site number: 1; 2; 3; 4; 5; 6; 7; 8;...
aThe differential HDX induced by SR1001 binding to RORc correlateswith the co-crystal structure of RORc in complex with the sterol ligand 25-hydroxycholesterol (25-OHC; Protein Data Bank (PDB) 3LOL)13 (Supplementary Fig. 4) SR1001 HDX导致的差别束缚对RORc correlateswith RORc co水晶结构在复合体...
LIBP-Pred: web server for lipid binding proteins using structural network parameters; PDB mining of human cancer biomarkers and drug targets in parasites a... Gonzalez-Diaz,H.,Munteanu,... - MOLECULAR BIOSYSTEMS -ELECTRONIC EDITION- 被引量: 16发表: 2012年...