Structural Genomics, Its Application in Chemistry, Biology, and Drug Discovery

Abstract

Structural genomics has evolved from an emerging technology operating out of pilot centers into a mature scientific enterprise. We review the strategy, implementation, and production of the major structural genomics centers, their contributions to the structural coverage of the human proteome, as well as proteomes of human pathogens. Cased studies are used to illustrate how structural genomic data dissect mechanistic determinants for receptor specificity, contribute to the chemogenomic coverage of pioneer clinical intervention points, and accelerate target validation and drug discovery.

A Systematic Analysis of Atomic Protein-Ligand Interactions in the PDB

“…Significant progress in high-throughput X-ray crystallography 1,2 combined with advances in structural genomics [3][4][5] have led to an explosion in the number of structures publicly available in the Protein Data Bank (PDB). 6 At the time this manuscript was written, more than 123,456 structures had been deposited in the PDB 6 , including 76,056 protein-small molecule complexes, of which 13,000 have a reported binding potency.…”