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TitleOptimization of Pyrrolamides as Mycobacterial Gyrb ATPase Inhibitors: Structure Activity Relationship and in Vivo Efficacy in the Mouse Model of Tuberculosis.
Journal, issue, pagesAntimicrob. Agents Chemother., Vol. 58, Page 61-, Year 2014
Publish dateSep 13, 2012 (structure data deposition date)
AuthorsHameed, S.P. / Solapure, S. / Mukherjee, K. / Nandi, V. / Waterson, D. / Shandil, R. / Balganesh, M. / Sambandamurthy, V.K. / Raichurkar, A.K. / Deshpande, A. ...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.
External linksAntimicrob. Agents Chemother. / PubMed:24126580
MethodsX-ray diffraction
Resolution2.35 Å
Structure data

PDB-4bae:
Optimisation of pyrroleamides as mycobacterial GyrB ATPase inhibitors: Structure Activity Relationship and in vivo efficacy in the mouse model of tuberculosis
Method: X-RAY DIFFRACTION / Resolution: 2.35 Å

Chemicals

ChemComp-CA:
Unknown entry

ChemComp-RWX:
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

ChemComp-SO4:
SULFATE ION

ChemComp-HOH:
WATER

Source
  • mycobacterium smegmatis (bacteria)
KeywordsISOMERASE / DNA TOPOISOMERASE / INHIBITOR

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