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TitleIn Vivo Validation of Thymidylate Kinase (TMK) with a Rationally Designed, Selective Antibacterial Compound.
Journal, issue, pagesAcs Chem. Biol., Vol. 7, Page 1866-1872, Year 2012
Publish dateAug 3, 2012 (structure data deposition date)
AuthorsKeating, T.A. / Newman, J.V. / Olivier, N.B. / Otterson, L.G. / Andrews, B. / Boriack-Sjodin, P.A. / Breen, J.N. / Doig, P. / Dumas, J. / Gangl, E. ...Keating, T.A. / Newman, J.V. / Olivier, N.B. / Otterson, L.G. / Andrews, B. / Boriack-Sjodin, P.A. / Breen, J.N. / Doig, P. / Dumas, J. / Gangl, E. / Green, O.M. / Guler, S.Y. / Hentemann, M.F. / Joseph-McCarthy, D. / Kawatkar, S. / Kutschke, A. / Loch, J.T. / McKenzie, A.R. / Pradeepan, S. / Prasad, S. / Martinez-Botella, G.
External linksAcs Chem. Biol. / PubMed:22908966
MethodsX-ray diffraction
Resolution1.8 Å
Structure data

PDB-4gfd:
Thymidylate kinase (TMK) from S. Aureus in complex with TK-666
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

Chemicals

ChemComp-0YB:
2-(3-bromophenoxy)-4-{(1R)-3,3-dimethyl-1-[(3S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl]butyl}benzoic acid

ChemComp-HOH:
WATER

Source
  • staphylococcus aureus subsp. aureus (bacteria)
KeywordsTRANSFERASE/TRANSFERASE INHIBITOR / kinase / thymidine monphosphate / soluble / TRANSFERASE-TRANSFERASE INHIBITOR complex

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