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Structure paper

TitleFragment-Based Discovery of 6-Azaindazoles as Inhibitors of Bacterial DNA Ligase.
Journal, issue, pagesAcs Med. Chem. Lett., Vol. 4, Page 1208-, Year 2013
Publish dateOct 18, 2013 (structure data deposition date)
AuthorsHoward, S. / Amin, N. / Benowitz, A.B. / Chiarparin, E. / Cui, H. / Deng, X. / Heightman, T.D. / Holmes, D.J. / Hopkins, A. / Huang, J. ...Howard, S. / Amin, N. / Benowitz, A.B. / Chiarparin, E. / Cui, H. / Deng, X. / Heightman, T.D. / Holmes, D.J. / Hopkins, A. / Huang, J. / Jin, Q. / Kreatsoulas, C. / Martin, A.C.L. / Massey, F. / Mccloskey, L. / Mortenson, P.N. / Pathuri, P. / Tisi, D. / Williams, P.A.
External linksAcs Med. Chem. Lett. / PubMed:24900632
MethodsX-ray diffraction
Resolution1.88 - 2.01 Å
Structure data

PDB-4cc5:
Fragment-Based Discovery of 6 Azaindazoles As Inhibitors of Bacterial DNA Ligase
Method: X-RAY DIFFRACTION / Resolution: 1.88 Å

PDB-4cc6:
Fragment-Based Discovery of 6 Azaindazoles As Inhibitors of Bacterial DNA Ligase
Method: X-RAY DIFFRACTION / Resolution: 2.01 Å

Chemicals

ChemComp-SO4:
SULFATE ION

ChemComp-L5V:
2-chloranyl-6-(1H-1,2,4-triazol-3-yl)pyrazine

ChemComp-HOH:
WATER

ChemComp-L5Y:
2-{[2-(1H-pyrazolo[3,4-c]pyridin-3-yl)-6-(trifluoromethyl)pyridin-4-yl]amino}ethanol

Source
  • staphylococcus aureus (bacteria)
KeywordsLIGASE / ANTIBIOTIC DESIGN / LIGA

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