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TitleSynthesis and Evaluation of Novel Acyclic Nucleoside Phosphonates as Inhibitors of Plasmodium falciparum and Human 6-Oxopurine Phosphoribosyltransferases.
Journal, issue, pagesChemmedchem, Vol. 10, Page 1707-1723, Year 2015
Publish dateMay 31, 2015 (structure data deposition date)
AuthorsKaiser, M.M. / Hockova, D. / Wang, T.H. / Dracinsky, M. / Postova-Slavetinska, L. / Prochazkova, E. / Edstein, M.D. / Chavchich, M. / Keough, D.T. / Guddat, L.W. / Janeba, Z.
External linksChemmedchem / PubMed:26368337
MethodsX-ray diffraction
Resolution2.3 - 2.61 Å
Structure data

PDB-5brn:
Human HGPRT in complex with (S)-HPEPHx, an acyclic nucleoside phosphonate
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

PDB-5bsk:
Human HGPRT in complex with (S)-HPEPG, an acyclic nucleoside phosphonate
Method: X-RAY DIFFRACTION / Resolution: 2.61 Å

Chemicals

ChemComp-MG:
Unknown entry

ChemComp-4X2:
(2-{[(2S)-1-hydroxy-3-(6-oxo-1,6-dihydro-9H-purin-9-yl)propan-2-yl]oxy}ethyl)phosphonic acid

ChemComp-HOH:
WATER

ChemComp-4X7:
(2-{[(2S)-1-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3-hydroxypropan-2-yl]oxy}ethyl)phosphonic acid

Source
  • homo sapiens (human)
KeywordsTRANSFERASE/TRANSFERASE Inhibitor / Hypoxanthine-guanine-xanthine phosphoribosyltransferase / acyclic nuclesoside phosphonates / inhibitor / TRANSFERASE-TRANSFERASE Inhibitor complex / Hypoxanthine-guanine-phosphoribosyltransferase / malaria / acyclic nucleoside phosphonates / inhibitors

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