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Structure paper

TitleFragment-derived inhibitors of human N-myristoyltransferase block capsid assembly and replication of the common cold virus.
Journal, issue, pagesNat Chem, Vol. 10, Page 599-606, Year 2018
Publish dateJan 12, 2017 (structure data deposition date)
AuthorsMousnier, A. / Bell, A.S. / Swieboda, D.P. / Morales-Sanfrutos, J. / Perez-Dorado, I. / Brannigan, J.A. / Newman, J. / Ritzefeld, M. / Hutton, J.A. / Guedan, A. ...Mousnier, A. / Bell, A.S. / Swieboda, D.P. / Morales-Sanfrutos, J. / Perez-Dorado, I. / Brannigan, J.A. / Newman, J. / Ritzefeld, M. / Hutton, J.A. / Guedan, A. / Asfor, A.S. / Robinson, S.W. / Hopkins-Navratilova, I. / Wilkinson, A.J. / Johnston, S.L. / Leatherbarrow, R.J. / Tuthill, T.J. / Solari, R. / Tate, E.W.
External linksNat Chem / PubMed:29760414
MethodsX-ray diffraction
Resolution1.29 - 1.88 Å
Structure data

PDB-5mu6:
Human N-myristoyltransferase (NMT1) with Myristoyl-CoA and IMP-1088 inhibitor bound
Method: X-RAY DIFFRACTION / Resolution: 1.88 Å

PDB-5o48:
P.vivax NMT with an aminomethylindazole inhibitor bound
Method: X-RAY DIFFRACTION / Resolution: 1.69 Å

PDB-5o4v:
P.vivax NMT with aminomethylindazole and quinoline inhibitors bound
Method: X-RAY DIFFRACTION / Resolution: 1.7 Å

PDB-5o6h:
Human NMT1 in complex with myristoyl-CoA and inhibitor IMP-917
Method: X-RAY DIFFRACTION / Resolution: 1.29 Å

PDB-5o6j:
Human NMT1 in complex with myristoyl-CoA and inhibitor IMP-1031
Method: X-RAY DIFFRACTION / Resolution: 1.45 Å

Chemicals

ChemComp-MYA:
TETRADECANOYL-COA

ChemComp-MG:
Unknown entry

ChemComp-GOL:
GLYCEROL

ChemComp-KFK:
1-[5-[3,4-bis(fluoranyl)-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethoxy]phenyl]-1-methyl-indazol-3-yl]-~{N},~{N}-dimethyl-methanamine / inhibitor*YM

ChemComp-HOH:
WATER

ChemComp-NHW:
2-oxopentadecyl-CoA

ChemComp-9K2:
1-[5-(4-fluoranyl-2-methyl-phenyl)-1~{H}-indazol-3-yl]-~{N},~{N}-dimethyl-methanamine

ChemComp-DMS:
DIMETHYL SULFOXIDE / DMSO, precipitant*YM

ChemComp-CL:
Unknown entry

ChemComp-SO4:
SULFATE ION

ChemComp-9KZ:
ethyl 2,4-dimethylquinoline-3-carboxylate

ChemComp-PO4:
PHOSPHATE ION

ChemComp-9M2:
1-[5-[4-fluoranyl-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethoxy]phenyl]-2~{H}-indazol-3-yl]-~{N},~{N}-dimethyl-methanamine

ChemComp-9M8:
1-[5-[3-fluoranyl-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethoxy]phenyl]-1-methyl-indazol-3-yl]-~{N},~{N}-dimethyl-methanamine

Source
  • homo sapiens (human)
  • plasmodium vivax (malaria parasite P. vivax)
KeywordsTRANSFERASE / N-myristoylation / Inhibitor / Rhinovirus capsule assembly / MYRISTOYL

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