6PRB

S. aureus dihydrofolate reductase co-crystallized with cyclopropyl-dimethyoxydihydropthalazine inhibitor and NADP(H)

6PRB の概要

• エントリーDOI: 10.2210/pdb6prb/pdb
• 分子名称: Dihydrofolate reductase, (2E)-1-[(1S)-1-cyclopropyl-6,7-dimethoxy-3,4-dihydrophthalazin-2(1H)-yl]-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}prop-2-en-1-one, (2E)-1-[(1R)-1-cyclopropyl-6,7-dimethoxyphthalazin-2(1H)-yl]-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}prop-2-en-1-one, ... (6 entities in total)
• 機能のキーワード: dihydrofolate reductase, oxidoreductase-inhibitor complex, oxidoreductase/inhibitor
• 由来する生物種: Staphylococcus aureus
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 20536.04

構造登録者

Bourne, C.R.,Thomas, L.M. (登録日: 2019-07-10, 公開日: 2020-06-17, 最終更新日: 2023-10-11)

• 主引用文献: Muddala, N.P.,White, J.C.,Nammalwar, B.,Pratt, I.,Thomas, L.M.,Bunce, R.A.,Berlin, K.D.,Bourne, C.R.; Inhibitor design to target a unique feature in the folate pocket of Staphylococcus aureus dihydrofolate reductase.; Eur.J.Med.Chem., 200:112412-112412, 2020; PubMed: 32502861; DOI: 10.1016/j.ejmech.2020.112412

実験手法

X-RAY DIFFRACTION (2 Å)