Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 4-(2-chloro-6-fluoro-3-methylphenyl)-2,4-dioxobutanoic acid inhibitor

Mycobacterium Tuberculosis Structural Proteomics Project (XMTB)

4-(2-chloro-6-fluoro-3-methylphenyl)-2,4-dioxobutanoic acid

Structure-guided discovery of phenyl-diketo acids as potent inhibitors of M. tuberculosis malate synthase.

20% PEG 3350, 0.1 M magnesium chloride, 0.1 M TRIS-HCl , pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 290K

Mycobacterium Tuberculosis Structural Proteomics Project

LIGAND I93 WAS BUILD TO MAXIMIZE AGREEMENT WITH THE DENSITY. DEVIATIONS FROM SP2 GEOMETRY POTENTIALLY ARE DUE TO CHARGE INFLUENCING INTERACTIONS WITH THE PROTEIN.

inhibitor complex, Structural Genomics, Mycobacterium Tuberculosis Structural Proteomics Project, XMTB, malate synthase, TRANSFERASE-TRANSFERASE INHIBITOR complex