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TitleSynthesis, crystal structure, and in vitro biological evaluation of C-6 pyrimidine derivatives: new lead structures for monitoring gene expression in vivo.
Journal, issue, pagesNucleosides Nucleotides Nucleic Acids, Vol. 30, Page 293-315, Year 2011
Publish dateOct 26, 2008 (structure data deposition date)
AuthorsMartic, M. / Pernot, L. / Westermaier, Y. / Perozzo, R. / Kraljevic, T.G. / Kristafor, S. / Raic-Malic, S. / Scapozza, L. / Ametamey, S.
External linksNucleosides Nucleotides Nucleic Acids / PubMed:21623543
MethodsX-ray diffraction
Resolution2 - 2.8 Å
Structure data

PDB-3f0t:
Crystal structure of thymidine kinase from Herpes simplex virus type 1 in complex with N-methyl-DHBT
Method: X-RAY DIFFRACTION / Resolution: 2 Å

PDB-3rdp:
Crystal structure of thymidine kinase from herpes simplex virus type 1 in complex with N-METHYL-FHBT
Method: X-RAY DIFFRACTION / Resolution: 2.8 Å

Chemicals

ChemComp-SO4:
SULFATE ION

ChemComp-NCV:
N-Methyl-6-(1,3-dihydroxy-isobutyl)thymine

ChemComp-HOH:
WATER

ChemComp-NMF:
6-[(2R)-2-(fluoromethyl)-3-hydroxy-propyl]-1,5-dimethyl-pyrimidine-2,4-dione

Source
  • herpes simplex virus (type 1 / strain 17)
  • human herpesvirus 1 (Herpes simplex virus type 1)
KeywordsTRANSFERASE / thymidine kinase / DNA-synthesis / PET tracer / ATP-binding / DNA synthesis / Early protein / Nucleotide-binding

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