title: The PDBbind database: collection of binding affinities for protein-ligand complexes with known three-dimensional structures.
abstract: We have screened the entire Protein Data Bank (Release No. 103, January 2003) and identified 5671 protein-ligand complexes out of 19 621 experimental structures. A systematic examination of the primary references of these entries has led to a collection of binding affinity data (K(d), K(i), and IC(50)) for a total of 1359 complexes. The outcomes of this project have been organized into a Web-accessible database named the PDBbind database.
authors.affiliation: Department of Internal Medicine and Comprehensive Cancer Center, University of Michigan Medical School, 1500 E. Medical Center Drive, Ann Arbor, MI 48109-0934, USA.
authors.forename: Renxiao
authors.initials: R
authors.lastname: Wang
authors.forename: Xueliang
authors.initials: X
authors.lastname: Fang
authors.forename: Yipin
authors.initials: Y
authors.lastname: Lu
authors.forename: Shaomeng
authors.initials: S
authors.lastname: Wang
mesh_terms: D030562:Databases, Protein; D020407:Internet; D008024:Ligands; D011485:Protein Binding; D011487:Protein Conformation
chemical_list: D008024:Ligands