5W8I

Crystal Structure of Lactate Dehydrogenase A in complex with inhibitor compound 23 and Zinc

Summary for 5W8I

Entry DOI	10.2210/pdb5w8i/pdb
Descriptor	L-lactate dehydrogenase A chain, ZINC ION, 2-[3-(3,4-difluorophenyl)-5-hydroxy-1H-pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid, ... (8 entities in total)
Functional Keywords	oxidoreductase, oxidoreductase inhibitor
Biological source	Homo sapiens (Human)
Cellular location	Cytoplasm: P00338
Total number of polymer chains	4
Total formula weight	149512.74
Authors	Lukacs, C.M.,Abendroth, J. (deposition date: 2017-06-21, release date: 2018-01-17, Last modification date: 2023-10-04)
Primary citation	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 Cited by PubMed: 29120638 DOI: 10.1021/acs.jmedchem.7b00941 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.95 Å)

Structure validation