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TitleThiazolopyridone ureas as DNA gyrase B inhibitors: Optimization of antitubercular activity and efficacy.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 24, Page 870-879, Year 2014
Publish dateSep 12, 2013 (structure data deposition date)
AuthorsKale, R.R. / Kale, M.G. / Waterson, D. / Raichurkar, A. / Hameed, S.P. / Manjunatha, M.R. / Kishore Reddy, B.K. / Malolanarasimhan, K. / Shinde, V. / Koushik, K. ...Kale, R.R. / Kale, M.G. / Waterson, D. / Raichurkar, A. / Hameed, S.P. / Manjunatha, M.R. / Kishore Reddy, B.K. / Malolanarasimhan, K. / Shinde, V. / Koushik, K. / Jena, L.K. / Menasinakai, S. / Humnabadkar, V. / Madhavapeddi, P. / Basavarajappa, H. / Sharma, S. / Nandishaiah, R. / Mahesh Kumar, K.N. / Ganguly, S. / Ahuja, V. / Gaonkar, S. / Naveen Kumar, C.N. / Ogg, D. / Boriack-Sjodin, P.A. / Sambandamurthy, V.K. / de Sousa, S.M. / Ghorpade, S.R.
External linksBioorg. Med. Chem. Lett. / PubMed:24405701
MethodsX-ray diffraction
Resolution1.75 Å
Structure data

PDB-4mot:
Structure of Streptococcus pneumonia pare in complex with AZ13072886
Method: X-RAY DIFFRACTION / Resolution: 1.75 Å

Chemicals

ChemComp-2B7:
1-[4-(3-methylbutyl)-5-oxo-6-(pyridin-3-yl)-4,5-dihydro[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-prop-2-en-1-ylurea

ChemComp-HOH:
WATER

Source
  • streptococcus pneumoniae (bacteria)
KeywordsISOMERASE/ISOMERASE INHIBITOR / ATP binding / structure-based drug design / antimicrobial / virtual screen / ISOMERASE-ISOMERASE INHIBITOR complex

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