9BK3

Crystal structure of Lactate dehydrogenase in complex with 4-((4-(1-methyl-1H-imidazole-2-carbonyl)phenyl)amino)-4-oxo-2-(4-(trifluoromethyl)phenyl)butanoic acid (R-enantiomer, orthorhombic P form)

This is a non-PDB format compatible entry.

Summary for 9BK3

• Entry DOI: 10.2210/pdb9bk3/pdb
• Descriptor: L-lactate dehydrogenase A chain, CHLORIDE ION, MALONATE ION, ... (5 entities in total)
• Functional Keywords: lactate dehydrogenase, oxidoreductase, ldha, inhibitor complex, oxidoreductase-inhibitor complex, oxidoreductase/inhibitor
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 4
• Total formula weight: 157370.06

Authors

Lovell, S.,Cooper, A.,Battaile, K.P.,Sharma, H. (deposition date: 2024-04-26, release date: 2024-07-10)

• Primary citation: Sharma, H.,Mondal, S.,Urquiza, U.,Esparza, C.,Bartlett, S.,Santa-Pinter, L.,Hill, H.,White, M.,Sharma, P.,Luckett-Chastain, L.,Cooper, A.,Rasel, M.,Gao, P.,Battaile, K.P.,Shukla, S.K.,Lovell, S.,Ihnat, M.A.; Synthesis and biological characterization of an orally bioavailable lactate dehydrogenase-A inhibitor against pancreatic cancer.; Eur.J.Med.Chem., 275:116598-116598, 2024; PubMed: 38925013; DOI: 10.1016/j.ejmech.2024.116598

Experimental method

X-RAY DIFFRACTION (2.4 Å)