4UVI

Discovery of pyrimidine isoxazoles InhA in complex with compound 23

Summary for 4UVI

• Entry DOI: 10.2210/pdb4uvi/pdb
• Related: 4UVD 4UVE 4UVG 4UVH
• Descriptor: ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE, 5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-N-[(2-methylpyridin-4-yl)methyl]-1,2-oxazole-3-carboxamide, ... (4 entities in total)
• Functional Keywords: oxidoreductase, inha, acp enoyl reductase, fblg, pyrimidine isoxazole
• Biological source: MYCOBACTERIUM TUBERCULOSIS
• Total number of polymer chains: 4
• Total formula weight: 118350.59

Authors

Read, J.A.,Gingell, H.,Madhavapeddi, P.,Ghorpade, S.,Cowan, S. (deposition date: 2014-08-05, release date: 2015-09-30, Last modification date: 2024-05-08)

• Primary citation: Madhavapeddi, P.,Kale, R.R.,Cowen, S.D.,Ghorpade, S.R.,Davies, G.,Bellale, E.V.,Kale, M.G.,Srivastava, A.,Spadola, L.,Kawatkar, A.,Raichurkar, A.V.,Tonge, M.,Nandishaiah, R.,Guptha, S.,Narayan, A.,Gingell, H.,Plant, D.,Landge, S.,Menasinakai, S.,Prabhakar, K.R.,Achar, V.,Ambady, A.,Sambandamurthy, V.K.,Ramachandran, V.,Panduga, V.,Reddy, J.,Kumar, C.N.N.,Kaur, P.,Shandil, R.,Iyer, P.S.,Narayanan, S.,Read, J.A.; Hitting the Target in More Than One Way: Novel, Direct Inhibitors of Mycobacterium Tuberculosis Enoyl Acp Reductase; To be Published,

Experimental method

X-RAY DIFFRACTION (1.73 Å)