4XWA

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

4XWA の概要

• エントリーDOI: 10.2210/pdb4xwa/pdb
• 分子名称: 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)
• 機能のキーワード: tmk, kinase, antibacterial, piperidine, thymidine, transferase
• 由来する生物種: Staphylococcus aureus (strain Mu3 / ATCC 700698)
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 48087.33

構造登録者

Olivier, N.B. (登録日: 2015-01-28, 公開日: 2015-02-11, 最終更新日: 2024-05-01)

• 主引用文献: 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

実験手法

X-RAY DIFFRACTION (1.89 Å)