4BQR

Mtb InhA complex with Methyl-thiazole compound 11

Summary for 4BQR

Entry DOI	10.2210/pdb4bqr/pdb
Related	4BQP
Descriptor	ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE, (NZ)-2-[2,6-bis(fluoranyl)phenyl]-N-[5-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)-1-oxidanyl-ethyl]-3H-1,3,4-thiadiazol-2-ylidene]ethanamide, ... (4 entities in total)
Functional Keywords	oxidoreductase, methyl-thiazole
Biological source	MYCOBACTERIUM TUBERCULOSIS
Total number of polymer chains	4
Total formula weight	118458.56
Authors	Read, J.A.,Gingell, H.,Madhavapeddi, P.,Shirude, P.S. (deposition date: 2013-05-31, release date: 2013-12-11, Last modification date: 2024-05-08)
Primary citation	Shirude, P.S.,Madhavapeddi, P.,Naik, M.,Murugan, K.,Shinde, V.,Nandishaiah, R.,Bhat, J.,Kumar, A.,Hameed, S.,Holdgate, G.,Davies, G.,Mcmiken, H.,Hegde, N.,Ambady, A.,Venkatraman, J.,Panda, M.,Bandodkar, B.,Sambandamurthy, V.K.,Read, J.A. Methyl-Thiazoles: A Novel Mode of Inhibition with the Potential to Develop Novel Inhibitors Targeting Inha in Mycobacterium Tuberculosis. J.Med.Chem., 56:8533-, 2013 Cited by PubMed: 24107081 DOI: 10.1021/JM4012033 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.05 Å)

Structure validation