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Structure paper

TitleX-ray crystal structures of Enterococcus faecalis thymidylate synthase with folate binding site inhibitors.
Journal, issue, pagesEur. J. Med. Chem., Vol. 123, Page 649-664, Year 2016
Publish dateDec 26, 2013 (structure data deposition date)
AuthorsCatalano, A. / Luciani, R. / Carocci, A. / Cortesi, D. / Pozzi, C. / Borsari, C. / Ferrari, S. / Mangani, S.
External linksEur. J. Med. Chem. / PubMed:27517810
MethodsX-ray diffraction
Resolution2.4 - 2.5 Å
Structure data

PDB-4o7u:
Etherocomplex of Enteroccocus faecalis thymidylate synthase with 5-hydroxymethilene-6-hydrofolic acid and the phtalimidic inhibitor SS7
Method: X-RAY DIFFRACTION / Resolution: 2.4 Å

PDB-5j7w:
Enterococcus faecalis thymidylate synthase complex with methotrexate
Method: X-RAY DIFFRACTION / Resolution: 2.5 Å

Chemicals

ChemComp-SO4:
SULFATE ION

ChemComp-THF:
5-HYDROXYMETHYLENE-6-HYDROFOLIC ACID

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-SS7:
4-{[(2S)-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propyl]oxy}-3,5-dimethylphenyl acetate

ChemComp-HOH:
WATER

ChemComp-MTX:
METHOTREXATE

Source
  • enterococcus faecalis (bacteria)
Keywordstransferase/transferase inhibitor / transferase / folate binding / transferase-transferase inhibitor complex / Enterococcus faecalis / thymidylate synthase / methotrexate / complex

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