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: 24126580DOI: 10.1128/AAC.01751-13 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.35 Å) |
Structure validation
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