4XWA
TMK from S.aureus in complex with the Piperidinyl Thymine class inhibitor with a C5 ethyl-amine
Summary for 4XWA
Entry DOI | 10.2210/pdb4xwa/pdb |
Descriptor | Thymidylate kinase, 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 (3 entities in total) |
Functional Keywords | tmk, kinase, antibacterial, piperidine, thymidine, transferase |
Biological source | Staphylococcus aureus (strain Mu3 / ATCC 700698) |
Total number of polymer chains | 2 |
Total formula weight | 48087.33 |
Authors | Olivier, N.B. (deposition date: 2015-01-28, release date: 2015-02-11, Last modification date: 2024-05-01) |
Primary citation | Guler, S.Y.,Martinez-Botella, G.,Breen, J.,Kawatkar, S.,Loch, J.,Olivier, N.B.,Wang, H.,Keating, T.,Otterson, L. A highly potent antibacterial inhibitor of Gram-positive bacterial thymidylate kinase (TMK): SAR of piperidinyl thymines at position C5 and L1 Bioorg Med Chem Lett, 2015 |
Experimental method | X-RAY DIFFRACTION (1.89 Å) |
Structure validation
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