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Structure paper

TitleDiscovery of substituted benzyloxy-benzylamine inhibitors of acetyltransferase Eis and their anti-mycobacterial activity.
Journal, issue, pagesEur. J. Med. Chem., Vol. 242, Page 114698-114698, Year 2022
Publish dateMay 27, 2022 (structure data deposition date)
AuthorsPang, A.H. / Green, K.D. / Chandrika, N.T. / Garzan, A. / Punetha, A. / Holbrook, S.Y.L. / Willby, M.J. / Posey, J.E. / Tsodikov, O.V. / Garneau-Tsodikova, S.
External linksEur. J. Med. Chem. / PubMed:36037791
MethodsX-ray diffraction
Resolution2.05 - 2.19 Å
Structure data

PDB-8d1r:
Crystal structure of acetyltransferase Eis from Mycobacterium tuberculosis in complex with inhibitor SGT520
Method: X-RAY DIFFRACTION / Resolution: 2.19 Å

PDB-8d23:
Crystal structure of acetyltransferase Eis from Mycobacterium tuberculosis in complex with inhibitor SGT529
Method: X-RAY DIFFRACTION / Resolution: 2.14 Å

PDB-8d25:
Crystal structure of acetyltransferase Eis from Mycobacterium tuberculosis in complex with inhibitor SGT530
Method: X-RAY DIFFRACTION / Resolution: 2.05 Å

Chemicals

ChemComp-PVF:
1-{3-[(4-chlorophenyl)methoxy]phenyl}methanamine

ChemComp-GOL:
GLYCEROL

ChemComp-HOH:
WATER

ChemComp-PVU:
1-{2-[(3-chlorophenyl)methoxy]phenyl}-N-[(pyridin-3-yl)methyl]methanamine

ChemComp-PV3:
1-{2-[(3-chlorophenyl)methoxy]phenyl}-N-[(pyridin-4-yl)methyl]methanamine

Source
  • mycobacterium tuberculosis h37rv (bacteria)
KeywordsTRANSFERASE/TRANSFERASE INHIBITOR / resistance / aminoglycoside / enzyme / inhibitor / acetyl transfer / TRANSFERASE / TRANSFERASE-TRANSFERASE INHIBITOR complex

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