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TitleStereo-Defined Acyclic Nucleoside Phosphonates are Selective and Potent Inhibitors of Parasite 6-Oxopurine Phosphoribosyltransferases.
Journal, issue, pagesJ. Med. Chem., Vol. 65, Page 4030-4057, Year 2022
Publish dateSep 22, 2021 (structure data deposition date)
AuthorsKlejch, T. / Keough, D.T. / King, G. / Dolezelova, E. / Cesnek, M. / Budesinsky, M. / Zikova, A. / Janeba, Z. / Guddat, L.W. / Hockova, D.
External linksJ. Med. Chem. / PubMed:35175749
MethodsX-ray diffraction
Resolution2.12068485322 - 2.64716619036 Å
Structure data

PDB-7san:
Crystal structure of human hypoxanthine guanine phosphoribzosyltransferase in complex with (4S,7S)-7-hydroxy-4-((guanin-9-yl)methyl)-2,5-dioxaheptan-1,7-diphosphonate
Method: X-RAY DIFFRACTION / Resolution: 2.58155523622 Å

PDB-7sb7:
Crystal structure of T. brucei hypoxanthine guanine phosphoribosyltransferase in complex with (4S,7S)-7-hydroxy-4-((guanin-9-yl)methyl)-2,5-dioxaheptan-1,7-diphosphonate
Method: X-RAY DIFFRACTION / Resolution: 2.64716619036 Å

PDB-7scr:
Crystal structure of trypanosome brucei hypoxanthine-guanine-xanthine phosphoribzosyltransferase in complex with (4S,7S)-7-hydroxy-4-((guanin-9-yl)methyl)-2,5-dioxaheptan-1,7-diphosphonate
Method: X-RAY DIFFRACTION / Resolution: 2.12068485322 Å

Chemicals

ChemComp-8QI:
({(2S)-3-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-[(2S)-2-hydroxy-2-phosphonoethoxy]propoxy}methyl)phosphonic acid

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
  • trypanosoma brucei brucei (eukaryote)
KeywordsTRANSFERASE/TRANSFERASE INHIBITOR / inhibitor / complex / phosphonate / purine / TRANSFERASE / TRANSFERASE-TRANSFERASE INHIBITOR complex / TRANSFERASE/INHIBITOR / purine salvage / drug lead / TRANSFERASE-INHIBITOR complex

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