3GI2

Human dihydrofolate reductase Q35K mutant inhibitor complex

3GI2 の概要

• エントリーDOI: 10.2210/pdb3gi2/pdb
• 分子名称: Dihydrofolate reductase, N-({4-[(2-amino-6-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-5-yl)sulfanyl]phenyl}carbonyl)-L-glutamic acid, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... (4 entities in total)
• 機能のキーワード: dihydrofolate reductase, folate enzyme, active site mutants, nadp, one-carbon metabolism, oxidoreductase
• 由来する生物種: Homo sapiens (human)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 22689.69

構造登録者

Cody, V. (登録日: 2009-03-05, 公開日: 2009-09-29, 最終更新日: 2023-09-06)

• 主引用文献: Gangjee, A.,Li, W.,Kisliuk, R.L.,Cody, V.,Pace, J.,Piraino, J.,Makin, J.; Design, synthesis, and X-ray crystal structure of classical and nonclassical 2-amino-4-oxo-5-substituted-6-ethylthieno[2,3-d]pyrimidines as dual thymidylate synthase and dihydrofolate reductase inhibitors and as potential antitumor agents.; J.Med.Chem., 52:4892-4902, 2009; PubMed: 19719239; DOI: 10.1021/jm900490a

実験手法

X-RAY DIFFRACTION (1.53 Å)