3TTZ

Crystal structure of a topoisomerase ATPase inhibitor

3TTZ の概要

• エントリーDOI: 10.2210/pdb3ttz/pdb
• 関連するPDBエントリー: 3U2D 3U2K
• 分子名称: DNA gyrase subunit B, 2-[(3S,4R)-4-{[(3,4-dichloro-5-methyl-1H-pyrrol-2-yl)carbonyl]amino}-3-fluoropiperidin-1-yl]-1,3-thiazole-5-carboxylic acid, MAGNESIUM ION, ... (4 entities in total)
• 機能のキーワード: protein-inhibitor complex, atp-binding, structure-based drug design, antimicrobial, isomerase-isomerase inhibitor complex, isomerase/isomerase inhibitor
• 由来する生物種: Staphylococcus aureus; 詳細
• 細胞内の位置: Cytoplasm : P0A0K8
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 46054.51

構造登録者

Boriack-Sjodin, P.A.,Read, J.,Eakin, A.E.,Sherer, B.A. (登録日: 2011-09-15, 公開日: 2011-11-16, 最終更新日: 2024-02-28)

主引用文献

Sherer, B.A.,Hull, K.,Green, O.,Basarab, G.,Hauck, S.,Hill, P.,Loch, J.T.,Mullen, G.,Bist, S.,Bryant, J.,Boriack-Sjodin, A.,Read, J.,Degrace, N.,Uria-Nickelsen, M.,Illingworth, R.N.,Eakin, A.E.
Pyrrolamide DNA gyrase inhibitors: Optimization of antibacterial activity and efficacy.
Bioorg.Med.Chem.Lett., 21:7416-7420, 2011

PubMed Abstract: The pyrrolamides are a new class of antibacterial agents targeting DNA gyrase, an essential enzyme across bacterial species and inhibition results in the disruption of DNA synthesis and subsequently, cell death. The optimization of biochemical activity and other drug-like properties through substitutions to the pyrrole, piperidine, and heterocycle portions of the molecule resulted in pyrrolamides with improved cellular activity and in vivo efficacy.

PubMed: 22041057
DOI: 10.1016/j.bmcl.2011.10.010

実験手法

X-RAY DIFFRACTION (1.63 Å)