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TitleEnzymatic and structural analysis of inhibitors designed against Mycobacterium tuberculosis thymidylate kinase. New insights into the phosphoryl transfer mechanism.
Journal, issue, pagesJ. Biol. Chem., Vol. 278, Page 4963-4971, Year 2003
Publish dateSep 18, 2002 (structure data deposition date)
AuthorsHaouz, A. / Vanheusden, V. / Munier-Lehmann, H. / Froeyen, M. / Herdewijn, P. / Van Calenbergh, S. / Delarue, M.
External linksJ. Biol. Chem. / PubMed:12454011
MethodsX-ray diffraction
Resolution2 - 2.45 Å
Structure data

PDB-1mrn:
CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS THYMIDYLATE KINASE COMPLEXED WITH BISUBSTRATE INHIBITOR (TP5A)
Method: X-RAY DIFFRACTION / Resolution: 2.45 Å

PDB-1mrs:
CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS THYMIDYLATE KINASE COMPLEXED WITH 5-CH2OH DEOXYURIDINE MONOPHOSPHATE
Method: X-RAY DIFFRACTION / Resolution: 2 Å

Chemicals

ChemComp-SO4:
SULFATE ION

ChemComp-MG:
Unknown entry

ChemComp-T5A:
P1-(5'-ADENOSYL)P5-(5'-THYMIDYL)PENTAPHOSPHATE

ChemComp-HOH:
WATER

ChemComp-5HU:
5-HYDROXYMETHYLURIDINE-2'-DEOXY-5'-MONOPHOSPHATE

Source
  • mycobacterium tuberculosis (bacteria)
KeywordsTRANSFERASE / TRANSFERASE (ATP:TMP PHOSPHOTRANSFERASE) / KINASE

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