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Structure paper

TitleDesign of Plasmodium vivax Hypoxanthine-Guanine Phosphoribosyltransferase Inhibitors as Potential Antimalarial Therapeutics.
Journal, issue, pagesACS Chem. Biol., Year 2017
Publish dateJan 11, 2016 (structure data deposition date)
AuthorsKeough, D.T. / Rejman, D. / Pohl, R. / Zbornikova, E. / Hockova, D. / Croll, T. / Edstein, M.D. / Birrell, G.W. / Chavchich, M. / Naesens, L.M.J. ...Keough, D.T. / Rejman, D. / Pohl, R. / Zbornikova, E. / Hockova, D. / Croll, T. / Edstein, M.D. / Birrell, G.W. / Chavchich, M. / Naesens, L.M.J. / Pierens, G.K. / Brereton, I.M. / Guddat, L.W.
External linksACS Chem. Biol. / PubMed:29161011
MethodsX-ray diffraction
Resolution1.773 - 2.856 Å
Structure data

PDB-5hia:
Human hypoxanthine-guanine phosphoribosyltransferase in complex with [3R,4R]-4-guanin-9-yl-3-((S)-2-hydroxy-2-phosphonoethyl)oxy-1-N-(phosphonopropionyl)pyrrolidine
Method: X-RAY DIFFRACTION / Resolution: 1.773 Å

PDB-6bnj:
Human hypoxanthine guanine phosphoribosyltransferase in complex with [3R,4R]-4-guanin-9-yl-3-((R)-2-hydroxy-2-phosphonoethyl)oxy-1-N-(phosphonopropionyl)pyrrolidine
Method: X-RAY DIFFRACTION / Resolution: 1.909 Å

PDB-6bo7:
Crystal structure of Plasmodium vivax hypoxanthine guanine phosphoribosyltransferase in complex with [3R,4R]-4-guanin-9-yl-3-((S)-2-hydroxy-2-phosphonoethyl)oxy-1-N-(phosphonopropionyl)pyrrolidine
Method: X-RAY DIFFRACTION / Resolution: 2.856 Å

Chemicals

ChemComp-YPG:
[3-[(3~{R},4~{R})-3-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-4-[(2~{S})-2-oxidanyl-2-phosphono-ethoxy]pyrrolidin-1-y

ChemComp-MG:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-WPG:
(3-{(3R,4R)-3-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-4-[(2R)-2-hydroxy-2-phosphonoethoxy]pyrrolidin-1-yl}-3-oxopropy

Source
  • homo sapiens (human)
  • plasmodium vivax (malaria parasite P. vivax)
KeywordsTRANSFERASE / purine salvage / malaria / nuceloside phosphonate / enzyme / inhibitor / TRANSFERASE/INHIBITOR / nucleoside phosphonate / phosphoribosyltransferase / TRANSFERASE-INHIBITOR complex / Complex / Phosphonate

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