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TitleDiscovery of pyrazolthiazoles as novel and potent inhibitors of bacterial gyrase.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 20, Page 2828-2831, Year 2010
Publish dateFeb 9, 2009 (structure data deposition date)
AuthorsRonkin, S.M. / Badia, M. / Bellon, S. / Grillot, A.L. / Gross, C.H. / Grossman, T.H. / Mani, N. / Parsons, J.D. / Stamos, D. / Trudeau, M. ...Ronkin, S.M. / Badia, M. / Bellon, S. / Grillot, A.L. / Gross, C.H. / Grossman, T.H. / Mani, N. / Parsons, J.D. / Stamos, D. / Trudeau, M. / Wei, Y. / Charifson, P.S.
External linksBioorg. Med. Chem. Lett. / PubMed:20356737
MethodsX-ray diffraction
Resolution2.2 - 2.3 Å
Structure data

PDB-3g75:
Crystal structure of Staphylococcus aureus Gyrase B co-complexed with 4-METHYL-5-[3-(METHYLSULFANYL)-1H-PYRAZOL-5-YL]-2-THIOPHEN-2-YL-1,3-THIAZOLE inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

PDB-3g7b:
Staphylococcus aureus Gyrase B co-complex with METHYL ({5-[4-(4-HYDROXYPIPERIDIN-1-YL)-2-PHENYL-1,3-THIAZOL-5-YL]-1H-PYRAZOL-3-YL}METHYL)CARBAMATE inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

PDB-3g7e:
Crystal structure of E. coli Gyrase B co-complexed with PROP-2-YN-1-YL {[5-(4-PIPERIDIN-1-YL-2-PYRIDIN-3-YL-1,3-THIAZOL-5-YL)-1H-PYRAZOL-3-YL]METHYL}CARBAMATE inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

Chemicals

ChemComp-B48:
4-methyl-5-[3-(methylsulfanyl)-1H-pyrazol-5-yl]-2-thiophen-2-yl-1,3-thiazole

ChemComp-HOH:
WATER

ChemComp-B47:
methyl ({5-[4-(4-hydroxypiperidin-1-yl)-2-phenyl-1,3-thiazol-5-yl]-1H-pyrazol-3-yl}methyl)carbamate

ChemComp-B46:
prop-2-yn-1-yl {[5-(4-piperidin-1-yl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1H-pyrazol-3-yl]methyl}carbamate

Source
  • staphylococcus aureus (bacteria)
  • escherichia coli (E. coli)
KeywordsIsomerase/Isomerase inhibitor / Antibiotic resistance / Isomerase / Isomerase-Isomerase inhibitor complex

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