4HEJ
Discovery of Selective and Potent Inhibitors of Gram-positive Bacterial Thymidylate Kinase (TMK): Compund 16
Summary for 4HEJ
Entry DOI | 10.2210/pdb4hej/pdb |
Related | 4GSY 4HDC |
Descriptor | Thymidylate kinase, 5-methyl-1-[(3S)-1-{3-[3-(trifluoromethyl)phenoxy]benzyl}piperidin-3-yl]pyrimidine-2,4(1H,3H)-dione (3 entities in total) |
Functional Keywords | tmk, inhibitor, tmp, antibacterial, dna repair, kinase, dtmp atp, phosphorylation, transferase-transferase inhibitor complex, transferase/transferase inhibitor |
Biological source | Staphylococcus aureus subsp. aureus |
Total number of polymer chains | 2 |
Total formula weight | 47368.63 |
Authors | Martinez-Botella, G.,Breen, J.,Duffy, J.,Dumas, J.,Geng, B.,Gowers, I.,Green, O.,Guler, S.,Hentemann, M.,Hernandez-Juan, F.,Joseph-McCarthy, D.,Kawatkar, S.,Larsen, N.,Lazari, O.,Loch, J.,Macritchie, J. (deposition date: 2012-10-03, release date: 2012-10-24, Last modification date: 2024-02-28) |
Primary citation | Martinez-Botella, G.,Breen, J.N.,Duffy, J.E.,Dumas, J.,Geng, B.,Gowers, I.K.,Green, O.M.,Guler, S.,Hentemann, M.F.,Hernandez-Juan, F.A.,Joseph-McCarthy, D.,Kawatkar, S.,Larsen, N.A.,Lazari, O.,Loch, J.T.,Macritchie, J.A.,McKenzie, A.R.,Newman, J.V.,Olivier, N.B.,Otterson, L.G.,Owens, A.P.,Read, J.,Sheppard, D.W.,Keating, T.A. Discovery of Selective and Potent Inhibitors of Gram-Positive Bacterial Thymidylate Kinase (TMK). J.Med.Chem., 55:10010-10021, 2012 Cited by PubMed: 23043329DOI: 10.1021/jm3011806 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2 Å) |
Structure validation
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