3GHC

Design, Synthesis, and X-ray Crystal Structure of Classical and Nonclassical 2-amino-4-oxo-5-substituted-6-thieno[2,3-d]pyrimidines as dual thymidylate synthase and dihydrofolate reductase inhibitors and as potential antitumor agenst

3GHC の概要

• エントリーDOI: 10.2210/pdb3ghc/pdb
• 関連するPDBエントリー: 3f84 3GHV 3GHW
• 分子名称: Dihydrofolate reductase, N-({4-[(2-amino-6-ethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-5-yl)sulfanyl]phenyl}carbonyl)-L-glutamic acid, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... (5 entities in total)
• 機能のキーワード: protein inhibitor complex folate analogues, 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: 22791.58

構造登録者

Cody, V. (登録日: 2009-03-03, 公開日: 2009-09-22, 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 (1.3 Å)