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Structure paper

TitleDiscovery of Indazole Derivatives as a Novel Class of Bacterial Gyrase B Inhibitors.
Journal, issue, pagesAcs Med. Chem. Lett., Vol. 6, Page 1080-1085, Year 2015
Publish dateAug 13, 2015 (structure data deposition date)
AuthorsZhang, J. / Yang, Q. / Romero, J.A. / Cross, J. / Wang, B. / Poutsiaka, K.M. / Epie, F. / Bevan, D. / Wu, Y. / Moy, T. ...Zhang, J. / Yang, Q. / Romero, J.A. / Cross, J. / Wang, B. / Poutsiaka, K.M. / Epie, F. / Bevan, D. / Wu, Y. / Moy, T. / Daniel, A. / Chamberlain, B. / Carter, N. / Shotwell, J. / Arya, A. / Kumar, V. / Silverman, J. / Nguyen, K. / Metcalf, C.A. / Ryan, D. / Lippa, B. / Dolle, R.E.
External linksAcs Med. Chem. Lett. / PubMed:26487916
MethodsX-ray diffraction
Resolution1.55 - 1.6 Å
Structure data

PDB-5d7d:
Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a ligand
Method: X-RAY DIFFRACTION / Resolution: 1.6 Å

PDB-5d7r:
Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a ligand
Method: X-RAY DIFFRACTION / Resolution: 1.55 Å

Chemicals

ChemComp-MPD:
(4S)-2-METHYL-2,4-PENTANEDIOL / precipitant*YM

ChemComp-CL:
Unknown entry

ChemComp-MG:
Unknown entry

ChemComp-57X:
7-propyl-3-[2-(pyridin-3-yl)-1,3-thiazol-5-yl]-1,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one

ChemComp-HOH:
WATER

ChemComp-57Y:
3-hydroxy-5-[5-(6-hydroxy-7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxylic acid

Source
  • staphylococcus aureus (bacteria)
KeywordsISOMERASE/ISOMERASE INHIBITOR / DNA gyrase / GyrB / ligand / structure-based design / ISOMERASE-ISOMERASE INHIBITOR complex

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