2P4D

Structure-assisted discovery of Variola major H1 phosphatase inhibitors

2P4D の概要

• エントリーDOI: 10.2210/pdb2p4d/pdb
• 分子名称: Dual specificity protein phosphatase (2 entities in total)
• 機能のキーワード: dual specificity phosphatase, enzyme, small pox, drug design, hydrolase
• 由来する生物種: Variola virus
• 細胞内の位置: Virion : P33064
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 20235.17

構造登録者

Phan, J.,Tropea, J.E.,Waugh, D.S. (登録日: 2007-03-12, 公開日: 2007-05-29, 最終更新日: 2024-11-13)

主引用文献

Phan, J.,Tropea, J.E.,Waugh, D.S.
Structure-assisted discovery of variola major H1 phosphatase inhibitors
Acta Crystallogr.,Sect.D, D63:698-704, 2007

PubMed Abstract: Variola major virus, the causative agent of smallpox, encodes the dual-specificity H1 phosphatase. Because this enzyme is essential for the production of mature virus particles, it is an attractive molecular target for the development of therapeutic countermeasures for this potential agent of bioterrorism. As a first step in this direction, the crystal structure of H1 phosphatase has been determined at a resolution of 1.8 A. In silico screening methods have led to the identification of several small molecules that inhibit Variola H1 phosphatase with IC(50) values in the low micromolar range. These molecules provide novel leads for future drug development.

PubMed: 17505108
DOI: 10.1107/S0907444907014904

実験手法

X-RAY DIFFRACTION (1.8 Å)