6YT1

Mtb TMK crystal structure in complex with compound 26

6YT1 の概要

• エントリーDOI: 10.2210/pdb6yt1/pdb
• 分子名称: Thymidylate kinase, 2-ethyl-~{N}-[[4-[4-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]piperidin-1-yl]phenyl]methyl]-1,2,3,5,6,7,8,8~{a}-octahydroimidazo[1,2-a]pyridine-3-carboxamide, CITRIC ACID, ... (4 entities in total)
• 機能のキーワード: kinase activity, inhibitor complex, transferase
• 由来する生物種: Mycobacterium tuberculosis H37Rv
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 46959.57

構造登録者

Merceron, R.,De Munck, S.,Jian, Y.,Munier-Lehmann, H.,Van Calenbergh, S.,Savvides, S.N. (登録日: 2020-04-23, 公開日: 2020-09-02, 最終更新日: 2024-01-24)

• 主引用文献: Jian, Y.,Merceron, R.,De Munck, S.,Forbes, H.E.,Hulpia, F.,Risseeuw, M.D.P.,Van Hecke, K.,Savvides, S.N.,Munier-Lehmann, H.,Boshoff, H.I.M.,Van Calenbergh, S.; Endeavors towards transformation of M. tuberculosis thymidylate kinase (MtbTMPK) inhibitors into potential antimycobacterial agents.; Eur.J.Med.Chem., 206:112659-112659, 2020; PubMed: 32823003; DOI: 10.1016/j.ejmech.2020.112659

実験手法

X-RAY DIFFRACTION (1.9 Å)