9BK2

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 (S-enantiomer, monoclinic P form)

This is a non-PDB format compatible entry.

Summary for 9BK2

• Entry DOI: 10.2210/pdb9bk2/pdb
• Descriptor: L-lactate dehydrogenase A chain, DIMETHYL SULFOXIDE, (2S)-4-[4-(1-methyl-1H-imidazole-2-carbonyl)anilino]-4-oxo-2-[4-(trifluoromethyl)phenyl]butanoic acid, ... (5 entities in total)
• Functional Keywords: lactate dehydrogenase, oxidoreductase, ldha, inhibitor complex, structural genomics, seattle structural genomics center for infectious disease, ssgcid, oxidoreductase-inhibitor complex, oxidoreductase/inhibitor
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 4
• Total formula weight: 158255.10

Authors

Lovell, S.,Cooper, A.,Battaile, K.P.,Sharma, H.,Seattle Structural Genomics Center for Infectious Disease (SSGCID) (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 (1.85 Å)