6YT1

Mtb TMK crystal structure in complex with compound 26

Summary for 6YT1

• Entry DOI: 10.2210/pdb6yt1/pdb
• Descriptor: 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)
• Functional Keywords: kinase activity, inhibitor complex, transferase
• Biological source: Mycobacterium tuberculosis H37Rv
• Total number of polymer chains: 2
• Total formula weight: 46959.57

Authors

Merceron, R.,De Munck, S.,Jian, Y.,Munier-Lehmann, H.,Van Calenbergh, S.,Savvides, S.N. (deposition date: 2020-04-23, release date: 2020-09-02, Last modification date: 2024-01-24)

• Primary citation: 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

Experimental method

X-RAY DIFFRACTION (1.9 Å)