4HDC

Discovery of Selective and Potent Inhibitors of Gram-positive Bacterial Thymidylate Kinase (TMK: Compound 41)

Summary for 4HDC

• Entry DOI: 10.2210/pdb4hdc/pdb
• Related: 4GFD 4GSY 4HEJ
• Descriptor: Thymidylate kinase, 2-(3-chlorophenoxy)-4-{(1R)-3-methyl-1-[(3S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl]butyl}benzoic acid (3 entities in total)
• Functional Keywords: kinase, tmp, active site, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• Biological source: Staphylococcus aureus subsp. aureus
• Total number of polymer chains: 2
• Total formula weight: 47961.22

Authors

Olivier, N.B. (deposition date: 2012-10-02, release date: 2012-10-24, Last modification date: 2024-04-03)

• 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; PubMed: 23043329; DOI: 10.1021/jm3011806

Experimental method

X-RAY DIFFRACTION (2.05 Å)