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TitleA highly potent antibacterial inhibitor of Gram-positive bacterial thymidylate kinase (TMK): SAR of piperidinyl thymines at position C5 and L1
Journal, issue, pagesBioorg Med Chem Lett, Year 2015
Publish dateJan 28, 2015 (structure data deposition date)
AuthorsGuler, S.Y. / Martinez-Botella, G. / Breen, J. / Kawatkar, S. / Loch, J. / Olivier, N.B. / Wang, H. / Keating, T. / Otterson, L.
External linksSearch PubMed
MethodsX-ray diffraction
Resolution1.89 Å
Structure data

PDB-4xwa:
TMK from S.aureus in complex with the Piperidinyl Thymine class inhibitor with a C5 ethyl-amine
Method: X-RAY DIFFRACTION / Resolution: 1.89 Å

Chemicals

ChemComp-43N:
2-(3-chlorophenoxy)-6-(ethylamino)-4-[(R)-[(3S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl](phenyl)methyl]benzoic acid

ChemComp-HOH:
WATER

Source
  • staphylococcus aureus (strain mu3 / atcc 700698) (bacteria)
KeywordsTRANSFERASE / TMK / kinase / antibacterial / piperidine / thymidine

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