5W8K

Crystal Structure of Lactate Dehydrogenase A in complex with inhibitor compound 29 and NADH

5W8K の概要

• エントリーDOI: 10.2210/pdb5w8k/pdb
• 分子名称: L-lactate dehydrogenase A chain, 2-{3-(3,4-difluorophenyl)-5-hydroxy-4-[(4-sulfamoylphenyl)methyl]-1H-pyrazol-1-yl}-1,3-thiazole-4-carboxylic acid, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ... (6 entities in total)
• 機能のキーワード: oxidoreductase, oxidoreductase inhibitor
• 由来する生物種: Homo sapiens (Human)
• 細胞内の位置: Cytoplasm: P00338
• タンパク質・核酸の鎖数: 4
• 化学式量合計: 152887.50

構造登録者

Lukacs, C.M.,Dranow, D.M. (登録日: 2017-06-21, 公開日: 2018-01-17, 最終更新日: 2024-04-03)

• 主引用文献: Rai, G.,Brimacombe, K.R.,Mott, B.T.,Urban, D.J.,Hu, X.,Yang, S.M.,Lee, T.D.,Cheff, D.M.,Kouznetsova, J.,Benavides, G.A.,Pohida, K.,Kuenstner, E.J.,Luci, D.K.,Lukacs, C.M.,Davies, D.R.,Dranow, D.M.,Zhu, H.,Sulikowski, G.,Moore, W.J.,Stott, G.M.,Flint, A.J.,Hall, M.D.,Darley-Usmar, V.M.,Neckers, L.M.,Dang, C.V.,Waterson, A.G.,Simeonov, A.,Jadhav, A.,Maloney, D.J.; Discovery and Optimization of Potent, Cell-Active Pyrazole-Based Inhibitors of Lactate Dehydrogenase (LDH).; J. Med. Chem., 60:9184-9204, 2017; PubMed: 29120638; DOI: 10.1021/acs.jmedchem.7b00941

実験手法

X-RAY DIFFRACTION (1.6 Å)