4LP0

Crystal structure of a topoisomerase ATP inhibitor

4LP0 の概要

• エントリーDOI: 10.2210/pdb4lp0/pdb
• 関連するPDBエントリー: 4LPB
• 分子名称: Topoisomerase IV subunit B, 6'-[(ethylcarbamoyl)amino]-4'-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3,3'-bipyridine-5-carboxylic acid (3 entities in total)
• 機能のキーワード: protein-inhibitor complex, atp binding, structure-based drug design, antimicrobial, virtual screen, atpase domain, isomerase-isomerase inhibitor complex, isomerase/isomerase inhibitor
• 由来する生物種: Streptococcus pneumoniae
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 25038.12

構造登録者

Basarab, G.S.,Manchester, J.I.,Bist, S.,Boriack-Sjodin, P.A.,Dangel, B.,Illingsworth, R.,Uria-Nickelsen, M.,Sherer, B.A.,Sriram, S.,Eakin, A.E. (登録日: 2013-07-14, 公開日: 2013-11-13, 最終更新日: 2024-02-28)

• 主引用文献: Basarab, G.S.,Manchester, J.I.,Bist, S.,Boriack-Sjodin, P.A.,Dangel, B.,Illingworth, R.,Sherer, B.A.,Sriram, S.,Uria-Nickelsen, M.,Eakin, A.E.; Fragment-to-Hit-to-Lead Discovery of a Novel Pyridylurea Scaffold of ATP Competitive Dual Targeting Type II Topoisomerase Inhibiting Antibacterial Agents.; J.Med.Chem., 56:8712-8735, 2013; PubMed: 24098982; DOI: 10.1021/jm401208b

実験手法

X-RAY DIFFRACTION (1.95 Å)