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 Cited by PubMed: 32823003DOI: 10.1016/j.ejmech.2020.112659 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.9 Å) |
Structure validation
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