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TitleCheminformatics-driven discovery of selective, nanomolar inhibitors for staphylococcal pyruvate kinase.
Journal, issue, pagesAcs Chem. Biol., Vol. 7, Page 350-359, Year 2012
Publish dateJul 20, 2011 (structure data deposition date)
AuthorsAxerio-Cilies, P. / See, R.H. / Zoraghi, R. / Worral, L. / Lian, T. / Stoynov, N. / Jiang, J. / Kaur, S. / Jackson, L. / Gong, H. ...Axerio-Cilies, P. / See, R.H. / Zoraghi, R. / Worral, L. / Lian, T. / Stoynov, N. / Jiang, J. / Kaur, S. / Jackson, L. / Gong, H. / Swayze, R. / Amandoron, E. / Kumar, N.S. / Moreau, A. / Hsing, M. / Strynadka, N.C. / McMaster, W.R. / Finlay, B.B. / Foster, L.J. / Young, R.N. / Reiner, N.E. / Cherkasov, A.
External linksAcs Chem. Biol. / PubMed:22066782
MethodsX-ray diffraction
Resolution3.1 Å
Structure data

PDB-3t0t:
Crystal structure of S. aureus Pyruvate Kinase
Method: X-RAY DIFFRACTION / Resolution: 3.1 Å

Chemicals

ChemComp-I30:
N'-[(1E)-1-(1H-benzimidazol-2-yl)ethylidene]-5-bromo-2-hydroxybenzohydrazide

ChemComp-PO4:
PHOSPHATE ION

Source
  • staphylococcus aureus subsp. aureus (bacteria)
KeywordsTRANSFERASE/TRANSFERASE INHIBITOR / tetramer / ligand / TRANSFERASE-TRANSFERASE INHIBITOR complex

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