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TitleCrystal structure of binary and ternary complexes of thymidylate synthase (ThyA) from Mycobacterium tuberculosis: Insights into the selectivity and mode of inhibition
Journal, issue, pagesTo be Published
Publish dateJun 20, 2012 (structure data deposition date)
AuthorsReddy, M.C.M. / Bruning, J.B. / Sacchettini, J.C. / Harshbarger, W.
External linksSearch PubMed
MethodsX-ray diffraction
Resolution2.253 - 2.4 Å
Structure data

PDB-4foa:
Crystal Structure of the Mtb ThyA in Complex with 5-fluoro-dUMP
Method: X-RAY DIFFRACTION / Resolution: 2.253 Å

PDB-4fog:
Crystal Structure of Mtb ThyA in Complex with 5-Fluoro-dUMP and 5-methyltetrahydrofolic acid
Method: X-RAY DIFFRACTION / Resolution: 2.4 Å

PDB-4fox:
Crystal Structure of Mtb ThyA in complex with dUMP and Raltitrexed
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

Chemicals

ChemComp-UFP:
5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE / inhibitor*YM

ChemComp-HOH:
WATER

ChemComp-C2F:
5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID

ChemComp-D16:
TOMUDEX / chemotherapy, inhibitor*YM

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

Source
  • mycobacterium tuberculosis (bacteria)
KeywordsTRANSFERASE / Structural Genomics / TB Structural Genomics Consortium / TBSGC / thymidylate synthase

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