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TitleStructure-guided design of novel Trypanosoma brucei Methionyl-tRNA synthetase inhibitors.
Journal, issue, pagesEur J Med Chem, Vol. 124, Page 1081-1092, Year 2016
Publish dateApr 1, 2016 (structure data deposition date)
AuthorsHuang, W. / Zhang, Z. / Barros-Alvarez, X. / Koh, C.Y. / Ranade, R.M. / Gillespie, J.R. / Creason, S.A. / Shibata, S. / Verlinde, C.L. / Hol, W.G. ...Huang, W. / Zhang, Z. / Barros-Alvarez, X. / Koh, C.Y. / Ranade, R.M. / Gillespie, J.R. / Creason, S.A. / Shibata, S. / Verlinde, C.L. / Hol, W.G. / Buckner, F.S. / Fan, E.
External linksEur J Med Chem / PubMed:27788467
MethodsX-ray diffraction
Resolution2.4 - 2.8 Å
Structure data

PDB-5j58:
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor (Chem 1856)
Method: X-RAY DIFFRACTION / Resolution: 2.8 Å

PDB-5j59:
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor (Chem 1893)
Method: X-RAY DIFFRACTION / Resolution: 2.4 Å

PDB-5j5a:
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor (Chem 70786556)
Method: X-RAY DIFFRACTION / Resolution: 2.7 Å

Chemicals

ChemComp-MET:
METHIONINE

ChemComp-GOL:
GLYCEROL

ChemComp-DMS:
DIMETHYL SULFOXIDE / DMSO, precipitant*YM

ChemComp-N56:
(3S)-1-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-N-[(3,5-dichlorophenyl)methyl]piperidin-3-amine

ChemComp-HOH:
WATER

ChemComp-N93:
5-chloro-N-(2-{[(3,5-dichlorophenyl)methyl]amino}ethyl)-N-methyl-3H-imidazo[4,5-b]pyridin-2-amine

ChemComp-756:
[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl](2-methyl-1-benzofuran-5-yl)methanone

Source
  • trypanosoma brucei brucei (eukaryote)
KeywordsLigase/Ligase Inhibitor / synthetase / ligase / methionine / inhibitor / Ligase-Ligase Inhibitor complex

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