4I9N

Crystal structure of rabbit LDHA in complex with AP28161 and AP28122

4I9N の概要

• エントリーDOI: 10.2210/pdb4i9n/pdb
• 関連するPDBエントリー: 4I8x 4I9H 4I9U
• 分子名称: L-lactate dehydrogenase A chain, 6-({2-[(5-chloro-4-{[(2S)-2,3-dihydroxypropyl]oxy}-2-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)pyridine-3-carboxylic acid, 6-[3-(carboxymethoxy)-5-fluorophenyl]pyridine-3-carboxylic acid, ... (4 entities in total)
• 機能のキーワード: cancer, fragment, inhibitor, oxidoreductase-oxidoreductase inhibitor complex, oxidoreductase/oxidoreductase inhibitor
• 由来する生物種: Oryctolagus cuniculus (rabbit)
• 細胞内の位置: Cytoplasm: P13491
• タンパク質・核酸の鎖数: 8
• 化学式量合計: 297723.82

構造登録者

Zhou, T.,Kohlmann, A.,Stephan, Z.G.,Li, F.,Commodore, L.,Greenfield, M.T.,Shakespeare, W.C.,Zhu, X.,Dalgarno, D.C. (登録日: 2012-12-05, 公開日: 2013-01-23, 最終更新日: 2023-09-20)

• 主引用文献: Kohlmann, A.,Zech, S.G.,Li, F.,Zhou, T.,Squillace, R.M.,Commodore, L.,Greenfield, M.T.,Lu, X.,Miller, D.P.,Huang, W.S.,Qi, J.,Thomas, R.M.,Wang, Y.,Zhang, S.,Dodd, R.,Liu, S.,Xu, R.,Xu, Y.,Miret, J.J.,Rivera, V.,Clackson, T.,Shakespeare, W.C.,Zhu, X.,Dalgarno, D.C.; Fragment growing and linking lead to novel nanomolar lactate dehydrogenase inhibitors.; J.Med.Chem., 56:1023-1040, 2013; PubMed: 23302067; DOI: 10.1021/jm3014844

実験手法

X-RAY DIFFRACTION (2.35 Å)