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Structure paper

TitleDiscovery of High Affinity Inhibitors of Leishmania Donovani N-Myristoyltransferase.
Journal, issue, pagesMedchemcomm, Vol. 6, Page 1761-, Year 2015
Publish dateMay 15, 2015 (structure data deposition date)
AuthorsRackham, M.D. / Yu, Z. / Brannigan, J.A. / Heal, W.P. / Paape, D. / Barker, K.V. / Wilkinson, A.J. / Smith, D.F. / Leatherbarrow, R.J. / Tate, E.W.
External linksMedchemcomm / PubMed:26962429
MethodsX-ray diffraction
Resolution1.37 - 1.48 Å
Structure data

PDB-5a27:
Leishmania major N-myristoyltransferase in complex with a chlorophenyl 1,2,4-oxadiazole inhibitor.
Method: X-RAY DIFFRACTION / Resolution: 1.37 Å

PDB-5a28:
Leishmania major N-myristoyltransferase in complex with a chlorophenyl 1,3,4-oxadiazole inhibitor.
Method: X-RAY DIFFRACTION / Resolution: 1.48 Å

Chemicals

ChemComp-MYA:
TETRADECANOYL-COA

ChemComp-TUT:
5-chloranyl-N-[2-(3-methoxyphenyl)ethanimidoyl]-2-piperidin-4-yloxy-benzamide

ChemComp-MG:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-TUQ:
4-(4-chloro-2-{5-[(trimethyl-1H-pyrazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl}phenoxy)piperidine

Source
  • leishmania major (eukaryote)
KeywordsTRANSFERASE / MYRISTOYLATION / DRUG DESIGN / INHIBITOR

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