4BAE

Optimisation of pyrroleamides as mycobacterial GyrB ATPase inhibitors: Structure Activity Relationship and in vivo efficacy in the mouse model of tuberculosis

Summary for 4BAE

Entry DOI	10.2210/pdb4bae/pdb
Related	4B6C
Descriptor	DNA GYRASE SUBUNIT B, CALCIUM ION, 2-[(3S,4R)-4-[(3-bromanyl-4-chloranyl-5-methyl-1H-pyrrol-2-yl)carbonylamino]-3-methoxy-piperidin-1-yl]-4-(2-methyl-1,2,4-triazol-3-yl)-1,3-thiazole-5-carboxylic acid, ... (5 entities in total)
Functional Keywords	isomerase, dna topoisomerase, inhibitor
Biological source	MYCOBACTERIUM SMEGMATIS
Cellular location	Cytoplasm : P0C559
Total number of polymer chains	4
Total formula weight	93882.17
Authors	Read, J.A.,Gingell, H.G.,Madhavapeddi, P. (deposition date: 2012-09-13, release date: 2013-10-30, Last modification date: 2023-12-20)
Primary citation	Hameed, S.P.,Solapure, S.,Mukherjee, K.,Nandi, V.,Waterson, D.,Shandil, R.,Balganesh, M.,Sambandamurthy, V.K.,Raichurkar, A.K.,Deshpande, A.,Ghosh, A.,Awasthy, D.,Shanbhag, G.,Sheikh, G.,Mcmiken, H.,Puttur, J.,Reddy, J.,Werngren, J.,Read, J.,Kumar, M.,Manjunatha, R.,Chinnapattu, M.,Madhavapeddi, P.,Manjrekar, P.,Basu, R.,Gaonkar, S.,Sharma, S.,Hoffner, S.,Humnabadkar, V.,Subbulakshmi, V.,Panduga, V. Optimization of Pyrrolamides as Mycobacterial Gyrb ATPase Inhibitors: Structure Activity Relationship and in Vivo Efficacy in the Mouse Model of Tuberculosis. Antimicrob.Agents Chemother., 58:61-, 2014 Cited by PubMed: 24126580 DOI: 10.1128/AAC.01751-13 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.35 Å)

Structure validation