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TitleDiscovery of dual GyrB/ParE inhibitors active against Gram-negative bacteria.
Journal, issue, pagesEur J Med Chem, Vol. 157, Page 610-621, Year 2018
Publish dateOct 4, 2017 (structure data deposition date)
AuthorsHo, S.Y. / Wang, W. / Ng, F.M. / Wong, Y.X. / Poh, Z.Y. / Tan, S.W.E. / Ang, S.H. / Liew, S.S. / Joyner Wong, Y.S. / Tan, Y. ...Ho, S.Y. / Wang, W. / Ng, F.M. / Wong, Y.X. / Poh, Z.Y. / Tan, S.W.E. / Ang, S.H. / Liew, S.S. / Joyner Wong, Y.S. / Tan, Y. / Poulsen, A. / Pendharkar, V. / Sangthongpitag, K. / Manchester, J. / Basarab, G. / Hill, J. / Keller, T.H. / Cherian, J.
External linksEur J Med Chem / PubMed:30125722
MethodsX-ray diffraction
Resolution2.8 Å
Structure data

PDB-5yig:
Crystal structure of Streptococcus pneumonia ParE with inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.8 Å

Chemicals

ChemComp-54B:
1-ethyl-3-[5-[2-[(1S,5R)-3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl]-5-(2-oxidanylidene-3H-1,3,4-oxadiazol-5-yl)pyridin-3-yl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridin-2-yl]urea

ChemComp-HOH:
WATER

Source
  • streptococcus pneumoniae ga47502 (bacteria)
KeywordsANTIMICROBIAL PROTEIN / Inhibitor

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