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Structure paper

TitleDiscovery of Thymidylate Synthase Inhibitors Using Flexible Docking and an Empirically Tuned Scoring Function
Journal, issue, pagesTo be Published
Publish dateOct 23, 1997 (structure data deposition date)
AuthorsWelch, W. / Sage, C.R. / Stout, T.J. / Klein, T. / Ruppert, J. / Stroud, R.M. / Jain, A.
External linksSearch PubMed
MethodsX-ray diffraction
Resolution1.7 Å
Structure data

PDB-1axw:
E. COLI THYMIDYLATE SYNTHASE IN COMPLEX WITH METHOTREXATE (MTX) AND 2'-DEOXYURIDINE 5'-MONOPHOSPHATE (DUMP)
Method: X-RAY DIFFRACTION / Resolution: 1.7 Å

Chemicals

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

ChemComp-MTX:
METHOTREXATE / chemotherapy*YM

ChemComp-HOH:
WATER

Source
  • escherichia coli (E. coli)
KeywordsMETHYLTRANSFERASE / TRANSFERASE / INHIBITOR

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