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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 dateJan 28, 2011 (structure data deposition date)
AuthorsReddy, M.C.M. / Bruning, J.B. / Harshbarger, W. / Sacchettini, J.C.
External linksSearch PubMed
MethodsX-ray diffraction
Resolution1.8 - 2.504 Å
Structure data

PDB-3qj7:
Crystal Structure of the Mycobacterium tuberculosis Thymidylate synthase (ThyA) bound to dUMP
Method: X-RAY DIFFRACTION / Resolution: 2.504 Å

PDB-4fqs:
Crystal Structure of Mycobacterium tuberculosis ThyA in complex with UMP and Pemetrexed
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

Chemicals

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

ChemComp-SPM:
SPERMINE

ChemComp-HOH:
WATER

ChemComp-LYA:
2-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYLAMINO}-PENTANEDIOIC ACID

Source
  • mycobacterium tuberculosis (bacteria)
KeywordsTRANSFERASE / Thymidilate synthase / Structural Genomics / TB Structural Genomics Consortium / TBSGC / TRANSFERASE/TRANSFERASE INHIBITOR / Folate binding / TRANSFERASE-TRANSFERASE INHIBITOR complex

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