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4XWA

TMK from S.aureus in complex with the Piperidinyl Thymine class inhibitor with a C5 ethyl-amine

Summary for 4XWA
Entry DOI10.2210/pdb4xwa/pdb
DescriptorThymidylate 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 Keywordstmk, kinase, antibacterial, piperidine, thymidine, transferase
Biological sourceStaphylococcus aureus (strain Mu3 / ATCC 700698)
Total number of polymer chains2
Total formula weight48087.33
Authors
Olivier, N.B. (deposition date: 2015-01-28, release date: 2015-02-11)
Primary citationGuler, 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

217705

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