4HOF

Candida albicans dihydrofolate reductase complexed with NADPH and 5-[3-(2-methoxy-4-phenylphenyl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine (UCP111H)

4HOF の概要

• エントリーDOI: 10.2210/pdb4hof/pdb
• 関連するPDBエントリー: 3QLR 3QLS 3QLW 4H95 4H96 4H97 4H98 4HOE 4HOG
• 分子名称: Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 5-[3-(2-methoxy-4-phenylphenyl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine, ... (6 entities in total)
• 機能のキーワード: antifungal agents, candida albicans, drug design, enzyme inhibitors, fungal proteins, structure-activity relationship, tetrahydrofolate dehydrogenase, oxidoreductase-oxidoreductase inhibitor complex, oxidoreductase/oxidoreductase inhibitor
• 由来する生物種: Candida albicans (yeast)
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 47040.21

構造登録者

Paulsen, J.L.,Anderson, A.C. (登録日: 2012-10-22, 公開日: 2014-03-19, 最終更新日: 2023-09-20)

• 主引用文献: G-Dayanandan, N.,Paulsen, J.L.,Viswanathan, K.,Keshipeddy, S.,Lombardo, M.N.,Zhou, W.,Lamb, K.M.,Sochia, A.E.,Alverson, J.B.,Priestley, N.D.,Wright, D.L.,Anderson, A.C.; Propargyl-Linked Antifolates are Dual Inhibitors of Candida albicans and Candida glabrata.; J.Med.Chem., 57:2643-2656, 2014; PubMed: 24568657; DOI: 10.1021/jm401916j

実験手法

X-RAY DIFFRACTION (1.76 Å)