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Structure paper

TitleDouble drugging of prolyl-tRNA synthetase provides a new paradigm for anti-infective drug development.
Journal, issue, pagesPlos Pathog., Vol. 18, Page e1010363-e1010363, Year 2022
Publish dateMay 22, 2021 (structure data deposition date)
AuthorsManickam, Y. / Malhotra, N. / Mishra, S. / Babbar, P. / Dusane, A. / Laleu, B. / Bellini, V. / Hakimi, M.A. / Bougdour, A. / Sharma, A.
External linksPlos Pathog. / PubMed:35333915
MethodsX-ray diffraction
Resolution1.697 - 1.704 Å
Structure data

PDB-7evu:
Co-crystal Structure of Toxoplasma gondii Prolyl tRNA Synthetase (TgPRS) in complex with HFG and JE6
Method: X-RAY DIFFRACTION / Resolution: 1.697 Å

PDB-7evv:
Co-crystal Structure of Toxoplasma gondii Prolyl tRNA Synthetase (TgPRS) in complex with JE6 and L-pro
Method: X-RAY DIFFRACTION / Resolution: 1.704 Å

Chemicals

ChemComp-HFG:
7-bromo-6-chloro-3-{3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl}quinazolin-4(3H)-one / alkaloid, medication*YM

ChemComp-JE6:
~{N}-[4-[(3~{S})-3-cyano-3-cyclopropyl-2-oxidanylidene-pyrrolidin-1-yl]-6-methyl-pyridin-2-yl]-2-phenyl-ethanamide

ChemComp-MES:
2-(N-MORPHOLINO)-ETHANESULFONIC ACID / pH buffer*YM

ChemComp-HOH:
WATER

ChemComp-PRO:
PROLINE

ChemComp-CL:
Unknown entry

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

Source
  • toxoplasma gondii (eukaryote)
KeywordsTRANSLATION / Toxoplasma gondii / Prolyl tRNA Synthetase / Inhibitor-Bound Structural Comparison / Multi-drug

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