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Structure paper

TitleSulfonylpiperidines as novel, antibacterial inhibitors of Gram-positive thymidylate kinase (TMK).
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 23, Page 169-173, Year 2013
Publish dateOct 16, 2012 (structure data deposition date)
AuthorsMartinez-Botella, G. / Loch, J.T. / Green, O.M. / Kawatkar, S.P. / Olivier, N.B. / Boriack-Sjodin, P.A. / Keating, T.A.
External linksBioorg. Med. Chem. Lett. / PubMed:23206863
MethodsX-ray diffraction
Resolution1.55 - 2 Å
Structure data

PDB-4hlc:
Sulfonylpiperidines as Novel, Antibacterial Inhibitors of Gram-Positive Thymidylate Kinase (TMK): Compound 5
Method: X-RAY DIFFRACTION / Resolution: 1.55 Å

PDB-4hld:
Sulfonylpiperidines as Novel, Antibacterial Inhibitors of Gram-Positive Thymidylate Kinase (TMK): Compound 11
Method: X-RAY DIFFRACTION / Resolution: 2 Å

Chemicals

ChemComp-T05:
4-{[(3S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl]sulfonyl}-2-(3-methylphenoxy)benzoic acid

ChemComp-HOH:
WATER

ChemComp-16T:
1-[(3S)-1-{[3-(3-chlorophenoxy)-4-hydroxyphenyl]sulfonyl}piperidin-3-yl]-5-methylpyrimidine-2,4(1H,3H)-dione

Source
  • staphylococcus aureus subsp. aureus (bacteria)
Keywordstransferase/transferase inhibitor / TMK / kinase / thymidylate kinase / MRSA / pipiridine / transferase-transferase inhibitor complex

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