4P8O

S. aureus gyrase bound to an aminobenzimidazole urea inhibitor

4P8O の概要

• エントリーDOI: 10.2210/pdb4p8o/pdb
• 分子名称: DNA gyrase subunit B, 1-ethyl-3-[5-(5-fluoropyridin-3-yl)-7-(pyrimidin-2-yl)-1H-benzimidazol-2-yl]urea (3 entities in total)
• 機能のキーワード: antibacterial, gram-positive, gyrase, topoisomerase, staphylococcus aureus, isomerase
• 由来する生物種: Staphylococcus aureus
• 細胞内の位置: Cytoplasm : Q6GKU0
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 43644.65

構造登録者

Jacobs, M.D. (登録日: 2014-03-31, 公開日: 2014-10-29, 最終更新日: 2023-12-27)

• 主引用文献: Grillot, A.L.,Tiran, A.L.,Shannon, D.,Krueger, E.,Liao, Y.,O'Dowd, H.,Tang, Q.,Ronkin, S.,Wang, T.,Waal, N.,Li, P.,Lauffer, D.,Sizensky, E.,Tanoury, J.,Perola, E.,Grossman, T.H.,Doyle, T.,Hanzelka, B.,Jones, S.,Dixit, V.,Ewing, N.,Liao, S.,Boucher, B.,Jacobs, M.,Bennani, Y.,Charifson, P.S.; Second-generation antibacterial benzimidazole ureas: discovery of a preclinical candidate with reduced metabolic liability.; J.Med.Chem., 57:8792-8816, 2014; PubMed: 25317480; DOI: 10.1021/jm500563g

実験手法

X-RAY DIFFRACTION (2.4 Å)