6NXZ

Crystal structure of trimethoprim-resistant type II dihydrofolate reductase in complex with a bisbenzimidazole inhibitor

6NXZ の概要

• エントリーDOI: 10.2210/pdb6nxz/pdb
• 分子名称: Dihydrofolate reductase type 2, 2-[4-[(2~{R})-4-[4-(6-carboxy-1~{H}-benzimidazol-2-yl)phenoxy]-2-oxidanyl-butoxy]phenyl]-1~{H}-benzimidazole-5-carboxylic acid, (4R)-2-METHYLPENTANE-2,4-DIOL, ... (5 entities in total)
• 機能のキーワード: antibiotic resistance; selective inhibitor; r67 dhfr; sh3-like barrel, antibiotic, oxidoreductase
• 由来する生物種: Escherichia coli
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 7643.40

構造登録者

Yachnin, B.J.,Berghuis, A.M. (登録日: 2019-02-10, 公開日: 2019-05-29, 最終更新日: 2023-10-11)

• 主引用文献: Toulouse, J.L.,Yachnin, B.J.,Ruediger, E.H.,Deon, D.,Gagnon, M.,Saint-Jacques, K.,Ebert, M.C.C.J.C.,Forge, D.,Bastien, D.,Colin, D.Y.,Vanden Eynde, J.J.,Marinier, A.,Berghuis, A.M.,Pelletier, J.N.; Structure-Based Design of Dimeric Bisbenzimidazole Inhibitors to an Emergent Trimethoprim-Resistant Type II Dihydrofolate Reductase Guides the Design of Monomeric Analogues.; Acs Omega, 4:10056-10069, 2019; PubMed: 31460098; DOI: 10.1021/acsomega.9b00640

実験手法

X-RAY DIFFRACTION (1.75 Å)