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Structure paper

TitleChemical Validation of Methionyl-tRNA Synthetase as a Druggable Target in Leishmania donovani.
Journal, issue, pagesACS Infect Dis, Vol. 3, Page 718-727, Year 2017
Publish dateMar 14, 2017 (structure data deposition date)
AuthorsTorrie, L.S. / Brand, S. / Robinson, D.A. / Ko, E.J. / Stojanovski, L. / Simeons, F.R.C. / Wyllie, S. / Thomas, J. / Ellis, L. / Osuna-Cabello, M. ...Torrie, L.S. / Brand, S. / Robinson, D.A. / Ko, E.J. / Stojanovski, L. / Simeons, F.R.C. / Wyllie, S. / Thomas, J. / Ellis, L. / Osuna-Cabello, M. / Epemolu, O. / Nuhs, A. / Riley, J. / MacLean, L. / Manthri, S. / Read, K.D. / Gilbert, I.H. / Fairlamb, A.H. / De Rycker, M.
External linksACS Infect Dis / PubMed:28967262
MethodsX-ray diffraction
Resolution2.8 Å
Structure data

PDB-5nfh:
Trypanosoma brucei methionyl-tRNA synthetase in complex with a quinazolinone inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.8 Å

Chemicals

ChemComp-GOL:
GLYCEROL

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

ChemComp-MET:
METHIONINE

ChemComp-8W2:
2-[3-[[4,6-bis(chloranyl)-1~{H}-indol-2-yl]methylamino]propylamino]-3~{H}-quinazolin-4-one

ChemComp-HOH:
WATER

Source
  • trypanosoma brucei brucei (eukaryote)
KeywordsLIGASE / SYNTHETASE / METHIONINE / INHIBITOR / LIGASE-LIGASE INHIBITOR / COMPLEX / DRUG DISCOVERY

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