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Structure paper

TitleBiochemical and Structural Characterization of Selective Allosteric Inhibitors of the Plasmodium falciparum Drug Target, Prolyl-tRNA-synthetase.
Journal, issue, pagesAcs Infect Dis., Vol. 3, Page 34-44, Year 2017
Publish dateOct 25, 2013 (structure data deposition date)
AuthorsHewitt, S.N. / Dranow, D.M. / Horst, B.G. / Abendroth, J.A. / Forte, B. / Hallyburton, I. / Jansen, C. / Baragana, B. / Choi, R. / Rivas, K.L. ...Hewitt, S.N. / Dranow, D.M. / Horst, B.G. / Abendroth, J.A. / Forte, B. / Hallyburton, I. / Jansen, C. / Baragana, B. / Choi, R. / Rivas, K.L. / Hulverson, M.A. / Dumais, M. / Edwards, T.E. / Lorimer, D.D. / Fairlamb, A.H. / Gray, D.W. / Read, K.D. / Lehane, A.M. / Kirk, K. / Myler, P.J. / Wernimont, A. / Walpole, C. / Stacy, R. / Barrett, L.K. / Gilbert, I.H. / Van Voorhis, W.C.
External linksAcs Infect Dis. / PubMed:27798837
MethodsX-ray diffraction
Resolution1.65 - 2.45 Å
Structure data

PDB-4ncx:
Crystal Structure of Prolyl-tRNA synthetase (ProRS, Proline--tRNA ligase) from Plasmodium falciparum 3D7
Method: X-RAY DIFFRACTION / Resolution: 1.85 Å

PDB-4q15:
Crystal Structure of Prolyl-tRNA synthetase (ProRS, Proline--tRNA ligase) from Plasmodium falciparum in complex with Halofuginone and AMPPNP in space group P212121 at 2.35 A
Method: X-RAY DIFFRACTION / Resolution: 2.35 Å

PDB-4wi1:
Crystal Structure of Prolyl-tRNA synthetase (ProRS, Proline--tRNA ligase) from Plasmodium falciparum in complex with TCMDC-124506
Method: X-RAY DIFFRACTION / Resolution: 1.65 Å

PDB-5ifu:
Crystal Structure of Prolyl-tRNA synthetase (ProRS, Proline--tRNA ligase) from Plasmodium falciparum in complex with Glyburide
Method: X-RAY DIFFRACTION / Resolution: 2.45 Å

Chemicals

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-CL:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-MG:
Unknown entry

ChemComp-ANP:
PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER / AMP-PNP, energy-carrying molecule analogue*YM

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

ChemComp-3O6:
1-(4-fluorophenyl)-3-[4-(4-fluorophenyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]urea

ChemComp-IMD:
IMIDAZOLE

ChemComp-GBM:
5-chloro-N-(2-{4-[(cyclohexylcarbamoyl)sulfamoyl]phenyl}ethyl)-2-methoxybenzamide / medication*YM

ChemComp-FMT:
FORMIC ACID

Source
  • plasmodium falciparum 3d7 (eukaryote)
  • plasmodium falciparum (malaria parasite P. falciparum)
  • plasmodium falciparum (isolate 3d7) (eukaryote)
KeywordsLIGASE / Structural Genomics / NIAID / National Institute of Allergy and Infectious Diseases / Seattle Structural Genomics Center for Infectious Disease / SSGCID / Prolyl-tRNA synthetase / Plasmodium falciparum / ProRS / Proline--tRNA ligase / Glyburide / Structural Genomics Consortium / SGC

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