3RO9

Candida glabrata dihydrofolate reductase complexed with NADPH and 6-ethyl-5-[(3R)-3-[3-methoxy-5-(pyridin-4-yl)phenyl]but-1-yn-1-yl]pyrimidine-2,4-diamine (UCP1006)

3RO9 の概要

• エントリーDOI: 10.2210/pdb3ro9/pdb
• 関連するPDBエントリー: 3CSE 3EEJ 3EEK 3EEL 3EEM 3QLX 3QLY 3QLZ 3ROA
• 分子名称: Strain CBS138 chromosome J complete sequence, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 6-ethyl-5-{(3R)-3-[3-methoxy-5-(pyridin-4-yl)phenyl]but-1-yn-1-yl}pyrimidine-2,4-diamine, ... (4 entities in total)
• 機能のキーワード: antifungal agents, candida glabrata, drug design, enzyme inhibitors, fungal proteins, models, molecular structure, structure-activity relationship, tetrahydrofolate dehydrogenase, oxidoreductase-oxidoreductase inhibitor complex, oxidoreductase/oxidoreductase inhibitor
• 由来する生物種: Candida glabrata (yeast)
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 54655.87

構造登録者

Paulsen, J.L.,Anderson, A.C. (登録日: 2011-04-25, 公開日: 2012-05-09, 最終更新日: 2024-02-28)

• 主引用文献: Paulsen, J.L.,Viswanathan, K.,Wright, D.L.,Anderson, A.C.; Structural analysis of the active sites of dihydrofolate reductase from two species of Candida uncovers ligand-induced conformational changes shared among species.; Bioorg.Med.Chem.Lett., 23:1279-1284, 2013; PubMed: 23375226; DOI: 10.1016/j.bmcl.2013.01.008

実験手法

X-RAY DIFFRACTION (2.596 Å)