4H96

Candida albicans dihydrofolate reductase complexed with NADPH and 5-{3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methoxyphenyl]prop-1-yn-1-yl}-6-ethylpyrimidine-2,4-diamine (UCP1018)

4H96 の概要

• エントリーDOI: 10.2210/pdb4h96/pdb
• 関連するPDBエントリー: 3QLR 3QLS 3QLW 3QLX 3QLY 3QLZ 4H95 4H97 4H98
• 分子名称: Dihydrofolate Reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 5-{3-[3-(1,3-benzodioxol-5-yl)-5-methoxyphenyl]prop-1-yn-1-yl}-6-ethylpyrimidine-2,4-diamine, ... (4 entities in total)
• 機能のキーワード: antifungal agents, candida albicans, drug design, enzyme inhibitors, fungal proteins, tetrahydrofolate dehydrogenase, oxidoreductase-oxidoreductase inhibitor complex, oxidoreductase/oxidoreductase inhibitor
• 由来する生物種: Candida albicans
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 45937.72

構造登録者

Paulsen, J.L.,Anderson, A.C. (登録日: 2012-09-24, 公開日: 2013-03-27, 最終更新日: 2023-09-20)

• 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 (2.6 Å)