5W8K

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

Summary for 5W8K

Entry DOI	10.2210/pdb5w8k/pdb
Descriptor	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)
Functional Keywords	oxidoreductase, oxidoreductase inhibitor
Biological source	Homo sapiens (Human)
Cellular location	Cytoplasm: P00338
Total number of polymer chains	4
Total formula weight	152887.50
Authors	Lukacs, C.M.,Dranow, D.M. (deposition date: 2017-06-21, release date: 2018-01-17, Last modification date: 2024-04-03)
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 (1.6 Å)

Structure validation