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TitleEndeavors towards transformation of M. tuberculosis thymidylate kinase (MtbTMPK) inhibitors into potential antimycobacterial agents.
Journal, issue, pagesEur. J. Med. Chem., Vol. 206, Page 112659-112659, Year 2020
Publish dateApr 23, 2020 (structure data deposition date)
AuthorsJian, 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.
External linksEur. J. Med. Chem. / PubMed:32823003
MethodsX-ray diffraction
Resolution1.9 Å
Structure data

PDB-6yt1:
Mtb TMK crystal structure in complex with compound 26
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

Chemicals

ChemComp-PK5:
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

ChemComp-CIT:
CITRIC ACID

ChemComp-HOH:
WATER

Source
  • mycobacterium tuberculosis h37rv (bacteria)
KeywordsTRANSFERASE / Kinase activity / Inhibitor complex

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