3NU0

Design, Synthesis, Biological Evaluation and X-ray Crystal Structure of Novel Classical 6,5,6-TricyclicBenzo[4,5]thieno[2,3-d]pyrimidines as Dual Thymidylate Synthase and Dihydrofolate Reductase Inhibitors

3NU0 の概要

• エントリーDOI: 10.2210/pdb3nu0/pdb
• 関連するPDBエントリー: 3GHC 3NTZ
• 分子名称: Dihydrofolate reducatase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, (2S)-2-(5-{[(2-amino-4-oxo-3,4-dihydro[1]benzothieno[2,3-d]pyrimidin-5-yl)methyl]amino}-1-oxo-1,3-dihydro-2H-isoindol-2-yl)pentanedioic acid, ... (5 entities in total)
• 機能のキーワード: dihydrofolate reductase, cyclized inhibitors, oxidoreductase hdhfr-264-nadph, oxidoreductase-oxidoreductase inhibitor complex, oxidoreductase/oxidoreductase inhibitor
• 由来する生物種: Homo sapiens (human)
• 細胞内の位置: Mitochondrion : P00374
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 22890.65

構造登録者

Cody, V. (登録日: 2010-07-06, 公開日: 2011-05-25, 最終更新日: 2024-04-03)

• 主引用文献: Zhang, X.,Zhou, X.,Kisliuk, R.L.,Piraino, J.,Cody, V.,Gangjee, A.; Design, synthesis, biological evaluation and X-ray crystal structure of novel classical 6,5,6-tricyclic benzo[4,5]thieno[2,3-d]pyrimidines as dual thymidylate synthase and dihydrofolate reductase inhibitors.; Bioorg.Med.Chem., 19:3585-3594, 2011; PubMed: 21550809; DOI: 10.1016/j.bmc.2011.03.067

実験手法

X-RAY DIFFRACTION (1.35 Å)