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Structure paper

TitleReaction hijacking of tyrosine tRNA synthetase as a new whole-of-life-cycle antimalarial strategy.
Journal, issue, pagesScience, Vol. 376, Page 1074-1079, Year 2022
Publish dateAug 2, 2021 (structure data deposition date)
AuthorsXie, S.C. / Metcalfe, R.D. / Dunn, E. / Morton, C.J. / Huang, S.C. / Puhalovich, T. / Du, Y. / Wittlin, S. / Nie, S. / Luth, M.R. ...Xie, S.C. / Metcalfe, R.D. / Dunn, E. / Morton, C.J. / Huang, S.C. / Puhalovich, T. / Du, Y. / Wittlin, S. / Nie, S. / Luth, M.R. / Ma, L. / Kim, M.S. / Pasaje, C.F.A. / Kumpornsin, K. / Giannangelo, C. / Houghton, F.J. / Churchyard, A. / Famodimu, M.T. / Barry, D.C. / Gillett, D.L. / Dey, S. / Kosasih, C.C. / Newman, W. / Niles, J.C. / Lee, M.C.S. / Baum, J. / Ottilie, S. / Winzeler, E.A. / Creek, D.J. / Williamson, N. / Parker, M.W. / Brand, S. / Langston, S.P. / Dick, L.R. / Griffin, M.D.W. / Gould, A.E. / Tilley, L.
External linksScience / PubMed:35653481
MethodsX-ray diffraction
Resolution1.7 - 2.2 Å
Structure data

PDB-7ror:
Plasmodium falciparum tyrosyl-tRNA synthetase in complex with tyrosine-AMP
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

PDB-7ros:
Plasmodium falciparum tyrosyl-tRNA synthetase in complex with ML901-Tyr
Method: X-RAY DIFFRACTION / Resolution: 2.15 Å

PDB-7rot:
Plasmodium falciparum tyrosyl-tRNA synthetase, S234C mutant, in complex with ML901-Tyr
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

PDB-7rou:
Structure of human tyrosyl tRNA synthetase in complex with ML901-Tyr
Method: X-RAY DIFFRACTION / Resolution: 1.7 Å

Chemicals

ChemComp-69X:
5'-O-[(S)-{[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxy}(hydroxy)phosphoryl]adenosine

ChemComp-MLI:
MALONATE ION

ChemComp-CL:
Unknown entry

ChemComp-MG:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-66I:
{(2R,3S,4R,5R)-5-[4-amino-3-(difluoromethoxy)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl}methyl [(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]sulfamate (non-preferred name)

ChemComp-SO4:
SULFATE ION

Source
  • plasmodium falciparum (isolate 3d7) (eukaryote)
  • homo sapiens (human)
KeywordsLIGASE / enzyme / tyrosyl-tRNA synthetase / malaria / inhibitor / tyrosine-AMP

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