4XS3

Crystal structure of a metabolic reductase with (E)-1-benzyl-5-((1-methyl-5-oxo-2-thioxoimidazolidin-4-ylidene)methyl)pyridin-2(1H)-one

4XS3 の概要

• エントリーDOI: 10.2210/pdb4xs3/pdb
• 関連するPDBエントリー: 4XRX
• 分子名称: Isocitrate dehydrogenase [NADP] cytoplasmic, (E)-1-benzyl-5-((1-methyl-5-oxo-2-thioxoimidazolidin-4-ylidene)methyl)pyridin-2(1H)-one, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE (3 entities in total)
• 機能のキーワード: oxidoreductase/oxidoreductase inhibitor, oxidoreductase-oxidoreductase inhibitor complex
• 由来する生物種: Homo sapiens (Human)
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 95539.93

構造登録者

Zheng, B.,Wu, F.,Jiang, H.,Kogiso, M.,Yao, Y.,Zhou, C.,Li, X.,Song, Y. (登録日: 2015-01-21, 公開日: 2016-07-27, 最終更新日: 2024-02-28)

• 主引用文献: Wu, F.,Jiang, H.,Zheng, B.,Kogiso, M.,Yao, Y.,Zhou, C.,Li, X.N.,Song, Y.; Inhibition of Cancer-Associated Mutant Isocitrate Dehydrogenases by 2-Thiohydantoin Compounds.; J.Med.Chem., 58:6899-6908, 2015; PubMed: 26280302; DOI: 10.1021/acs.jmedchem.5b00684

実験手法

X-RAY DIFFRACTION (3.291 Å)