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Structure paper

TitlePotent 1,2,4-Triazino[5,6 b]indole-3-thioether Inhibitors of the Kanamycin Resistance Enzyme Eis from Mycobacterium tuberculosis.
Journal, issue, pagesACS Infect Dis, Vol. 4, Page 1030-1040, Year 2018
Publish dateSep 24, 2017 (structure data deposition date)
AuthorsNgo, H.X. / Green, K.D. / Gajadeera, C.S. / Willby, M.J. / Holbrook, S.Y.L. / Hou, C. / Garzan, A. / Mayhoub, A.S. / Posey, J.E. / Tsodikov, O.V. / Garneau-Tsodikova, S.
External linksACS Infect Dis / PubMed:29601176
MethodsX-ray diffraction
Resolution2.4 Å
Structure data

PDB-6b3t:
Crystal structure of acetyltransferase Eis from Mycobacterium tuberculosis in complex with a 1,2,4-triazino[5,6b]indole-3-thioether inhibitor analogue 39b
Method: X-RAY DIFFRACTION / Resolution: 2.4 Å

Chemicals

ChemComp-COA:
COENZYME A

ChemComp-CJ7:
8-fluoro-5-methyl-3-{[2-(piperidin-1-yl)ethyl]sulfanyl}-5H-[1,2,4]triazino[5,6-b]indole

ChemComp-NA:
Unknown entry

ChemComp-SO4:
SULFATE ION

ChemComp-HOH:
WATER

Source
  • mycobacterium tuberculosis (strain atcc 25618 / h37rv) (bacteria)
Keywordstransferase/transferase inhibitor / TRANSFERASE / tuberculosis / aminoglycoside / resistance / transferase-transferase inhibitor complex

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