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Title2'-Deoxyuridine 5'-Monophosphate Substrate Displacement in Thymidylate Synthase through 6-Hydroxy-2H-naphtho[1,8-bc]furan-2-one Derivatives.
Journal, issue, pagesJ. Med. Chem., Vol. 56, Page 9356-9360, Year 2013
Publish dateJul 20, 2013 (structure data deposition date)
AuthorsFerrari, S. / Calo, S. / Leone, R. / Luciani, R. / Costantino, L. / Sammak, S. / Di Pisa, F. / Pozzi, C. / Mangani, S. / Costi, M.P.
External linksJ. Med. Chem. / PubMed:24147825
MethodsX-ray diffraction
Resolution2.41 Å
Structure data

PDB-4lrr:
Ternary complex between E. coli thymidylate synthase, dUMP, and F9
Method: X-RAY DIFFRACTION / Resolution: 2.41 Å

Chemicals

ChemComp-SO4:
SULFATE ION

ChemComp-CF9:
2-oxo-2H-naphtho[1,8-bc]furan-6-yl 4-nitrobenzoate

ChemComp-UMP:
2'-DEOXYURIDINE 5'-MONOPHOSPHATE

ChemComp-HOH:
WATER

Source
  • escherichia coli (E. coli)
KeywordsTRANSFERASE / Thymidine monophosphate synthesis / N-terminal acetylated methionine / beta-mercaptoethanol modified cysteine

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