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Structure paper

TitleApplication of Fragment-based Drug Discovery against DNA GyraseB
Journal, issue, pagesTo be published
Publish dateMay 27, 2015 (structure data deposition date)
AuthorsChen, G.Y. / Ng, F.M. / Tan, Y.W. / Poulsen, A. / Seetoh, W. / Lin, G. / Kang, C. / Then, S.W. / Ahmad, N.H. / Wong, Y.L. ...Chen, G.Y. / Ng, F.M. / Tan, Y.W. / Poulsen, A. / Seetoh, W. / Lin, G. / Kang, C. / Then, S.W. / Ahmad, N.H. / Wong, Y.L. / Ng, H. / Chia, B.C.S. / Lau, Q.Y. / Hill, J. / Hung, A.W. / Keller, T.H.
External linksSearch PubMed
MethodsX-ray diffraction
Resolution2.2 Å
Structure data

PDB-5boc:
Crystal structure of topoisomerase ParE inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

PDB-5bod:
Crystal structure of Streptococcus pneumonia ParE inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

Chemicals

ChemComp-TSJ:
3-methyl-4-({3-[3-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl}carbamoyl)benzoic acid

ChemComp-HOH:
WATER

ChemComp-TTJ:
(2R)-N-[3-(3,5-dimethylphenyl)-1H-pyrazol-5-yl]-1,4-dioxane-2-carboxamide

Source
  • streptococcus pneumoniae r6 (bacteria)
KeywordsISOMERASE/ISOMERASE INHIBITOR / Inhibitor / complex / topoisomerase / ParE / ISOMERASE-ISOMERASE INHIBITOR complex

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