3G7E

Crystal structure of E. coli Gyrase B co-complexed with PROP-2-YN-1-YL {[5-(4-PIPERIDIN-1-YL-2-PYRIDIN-3-YL-1,3-THIAZOL-5-YL)-1H-PYRAZOL-3-YL]METHYL}CARBAMATE inhibitor

3G7E の概要

• エントリーDOI: 10.2210/pdb3g7e/pdb
• 関連するPDBエントリー: 3G75 3G7B
• 分子名称: DNA gyrase subunit B, prop-2-yn-1-yl {[5-(4-piperidin-1-yl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1H-pyrazol-3-yl]methyl}carbamate (3 entities in total)
• 機能のキーワード: isomerase, isomerase-isomerase inhibitor complex, isomerase/isomerase inhibitor
• 由来する生物種: Escherichia coli
• 細胞内の位置: Cytoplasm (By similarity): C3SLN3
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 22721.58

構造登録者

Wei, Y.,Charifson, P. (登録日: 2009-02-09, 公開日: 2010-02-09, 最終更新日: 2023-09-06)

主引用文献

Ronkin, S.M.,Badia, M.,Bellon, S.,Grillot, A.L.,Gross, C.H.,Grossman, T.H.,Mani, N.,Parsons, J.D.,Stamos, D.,Trudeau, M.,Wei, Y.,Charifson, P.S.
Discovery of pyrazolthiazoles as novel and potent inhibitors of bacterial gyrase.
Bioorg.Med.Chem.Lett., 20:2828-2831, 2010

PubMed Abstract: Bacterial DNA gyrase is an attractive target for the investigation of new antibacterial agents. Inhibitors of the GyrB subunit, which contains the ATP-binding site, are described in this communication. Novel, substituted 5-(1H-pyrazol-3-yl)thiazole compounds were identified as inhibitors of bacterial gyrase. Structure-guided optimization led to greater enzymatic potency and moderate antibacterial potency. Data are presented for the demonstration of selective enzyme inhibition of Escherichia coli GyrB over Staphylococcus aureus GyrB.

PubMed: 20356737
DOI: 10.1016/j.bmcl.2010.03.052

実験手法

X-RAY DIFFRACTION (2.2 Å)