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TitleIdentification of bacteria-selective threonyl-tRNA synthetase substrate inhibitors by structure-based design.
Journal, issue, pagesJ. Med. Chem., Vol. 56, Page 1748-1760, Year 2013
Publish dateNov 8, 2012 (structure data deposition date)
AuthorsTeng, M. / Hilgers, M.T. / Cunningham, M.L. / Borchardt, A. / Locke, J.B. / Abraham, S. / Haley, G. / Kwan, B.P. / Hall, C. / Hough, G.W. ...Teng, M. / Hilgers, M.T. / Cunningham, M.L. / Borchardt, A. / Locke, J.B. / Abraham, S. / Haley, G. / Kwan, B.P. / Hall, C. / Hough, G.W. / Shaw, K.J. / Finn, J.
External linksJ. Med. Chem. / PubMed:23362938
MethodsX-ray diffraction
Resolution1.7 - 2.3 Å
Structure data

PDB-4hwo:
Crystal structure of E. coli Threonyl-tRNA synthetase bound to a novel inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.907 Å

PDB-4hwp:
Crystal structure of E. coli Threonyl-tRNA synthetase bound to a novel inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.807 Å

PDB-4hwr:
Crystal structure of E. coli Threonyl-tRNA synthetase bound to a novel inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

PDB-4hws:
Crystal structure of E. coli Threonyl-tRNA synthetase bound to a novel inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.7 Å

PDB-4hwt:
Crystal structure of human Threonyl-tRNA synthetase bound to a novel inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-409:
N-{[3-(4-aminoquinazolin-7-yl)phenyl]sulfonyl}-L-threoninamide

ChemComp-HOH:
WATER

ChemComp-X16:
N-{[3-(4-amino-2-methylquinazolin-7-yl)phenyl]sulfonyl}-L-threoninamide

ChemComp-1B2:
N-{[3-(2H-indazol-5-yl)phenyl]sulfonyl}-L-threoninamide

ChemComp-1B3:
N-{[3-(4-amino-2-chloroquinazolin-7-yl)phenyl]sulfonyl}-L-threoninamide

Source
  • escherichia coli (E. coli)
  • homo sapiens (human)
KeywordsLigase/Ligase Inhibitor / aminoacyl-tRNA synthetase / protein-inhibitor complex / antibacterial / Ligase-Ligase Inhibitor complex

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