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TitleInhibition of the Escherichia coli 6-oxopurine phosphoribosyltransferases by nucleoside phosphonates: potential for new antibacterial agents.
Journal, issue, pagesJ. Med. Chem., Vol. 56, Page 6967-6984, Year 2013
Publish dateMar 7, 2013 (structure data deposition date)
AuthorsKeough, D.T. / Hockova, D. / Rejman, D. / Spacek, P. / Vrbkova, S. / Krecmerova, M. / Eng, W.S. / Jans, H. / West, N.P. / Naesens, L.M. ...Keough, D.T. / Hockova, D. / Rejman, D. / Spacek, P. / Vrbkova, S. / Krecmerova, M. / Eng, W.S. / Jans, H. / West, N.P. / Naesens, L.M. / de Jersey, J. / Guddat, L.W.
External linksJ. Med. Chem. / PubMed:23927482
MethodsX-ray diffraction
Resolution2.2 - 2.8 Å
Structure data

PDB-4jit:
Crystal Structure of E. coli XGPRT in complex with (S)-3-(Guanin-9-yl)pyrrolidin-N-ylacetylphosphonic acid
Method: X-RAY DIFFRACTION / Resolution: 2.8 Å

PDB-4jls:
Crystal Structure of E. coli XGPRT in complex with (3R,4S)-4-(Guanin-9-yl)-3-hydroxypyrrolidin-1-N-ylacetylphosphonic acid
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

Chemicals

ChemComp-3ZF:
{2-[(3S)-3-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)pyrrolidin-1-yl]-2-oxoethyl}phosphonic acid

ChemComp-HOH:
WATER

ChemComp-3ZE:
{2-[(3S,4R)-3-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-4-hydroxypyrrolidin-1-yl]-2-oxoethyl}phosphonic acid

Source
  • escherichia coli (E. coli)
KeywordsTRANSFERASE / XANTHINE-GUANINE PHOSPHORIBOSYLTRANSFERASE / PURINE SALVAGE / NUCLEOSIDE PHOSPHONATE / ANTIBACTERIAL

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