6ND2

Staphylococcus aureus Dihydrofolate Reductase complexed with NADPH and 6-ETHYL-5-[(3R)-3-[2-METHOXY-5-(PYRIDIN-4-YL)PHENYL]BUT-1-YN-1-YL]PYRIMIDINE-2,4-DIAMINE (UCP1063)

6ND2 の概要

• エントリーDOI: 10.2210/pdb6nd2/pdb
• 分子名称: Dihydrofolate reductase, GLYCEROL, 6-ethyl-5-{(3S)-3-[2-methoxy-5-(pyridin-4-yl)phenyl]but-1-yn-1-yl}pyrimidine-2,4-diamine, ... (5 entities in total)
• 機能のキーワード: dhfr, propargyl-linked antifolates, antibiotics, antifolates, oxidoreductase
• 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: 19226.52

構造登録者

Reeve, S.M.,Wright, D.L. (登録日: 2018-12-13, 公開日: 2019-09-25, 最終更新日: 2023-10-11)

• 主引用文献: Lombardo, M.N.,G-Dayanandan, N.,Keshipeddy, S.,Zhou, W.,Si, D.,Reeve, S.M.,Alverson, J.,Barney, P.,Walker, L.,Hoody, J.,Priestley, N.D.,Obach, R.S.,Wright, D.L.; Structure-Guided In Vitro to In Vivo Pharmacokinetic Optimization of Propargyl-Linked Antifolates.; Drug Metab.Dispos., 47:995-1003, 2019; PubMed: 31201212; DOI: 10.1124/dmd.119.086504

実験手法

X-RAY DIFFRACTION (2.243 Å)