June 2002 issue
Joint special issue with Acta Crystallographica Section B
Molecular geometries and intermolecular interactions observed in small-molecule crystal structures are highly relevant to the drug-design process. A wide variety of examples of the use of CSD data in the modelling of in vivo situations are reviewed.
The Protein Data Bank is the single worldwide archive of primary structural data of biological macromolecules. This article introduces and describes the goals of the PDB, the systems in place for data deposition and access, how to obtain further information and plans for the future development of the resource.
Web-accessible resources derived from data in the Protein Data Bank are classified and described and URLs are given. They include resources on protein structure and functional classification, links to primary genomic information, protein–protein interactions, protein dynamics and protein-modeling resources.
The web-based Biological Macromolecule Crystallization Database (BMCD) is described along with its use in developing crystallization strategies.