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TitleRivastigmine and metabolite analogues with putative Alzheimer's disease-modifying properties in a Caenorhabditis elegans model
Journal, issue, pagesCommun Chem, Year 2019
Publish dateOct 30, 2017 (structure data deposition date)
AuthorsDighe, S. / De la Mora, E. / Chan, S. / Kantham, S. / McColl, G. / Veliyath, S.K. / Miles, J.A. / Nessar, Z.Y. / Mcgeary, R. / Silman, I. ...Dighe, S. / De la Mora, E. / Chan, S. / Kantham, S. / McColl, G. / Veliyath, S.K. / Miles, J.A. / Nessar, Z.Y. / Mcgeary, R. / Silman, I. / Weik, I. / Parat, M.O. / Brazzolotto, X. / Ross, B.
External linksCommun Chem / Search PubMed
MethodsX-ray diffraction
Resolution2 - 2.6 Å
Structure data

PDB-6eue:
Rivastigmine analogue bound to Tc ACHE.
Method: X-RAY DIFFRACTION / Resolution: 2 Å

PDB-6eyf:
Butyrylcolinesterase expressed in CHO cells co-crystallised with a rivastigmine analogue
Method: X-RAY DIFFRACTION / Resolution: 2.6 Å

Chemicals

ChemComp-1PE:
PENTAETHYLENE GLYCOL / precipitant*YM

ChemComp-NAG:
2-acetamido-2-deoxy-beta-D-glucopyranose

ChemComp-HOH:
WATER

ChemComp-BY2:
[3-[(1~{R})-1-(dimethylamino)ethyl]-4-oxidanyl-phenyl] ~{N}-ethyl-~{N}-methyl-carbamate

ChemComp-GOL:
GLYCEROL

ChemComp-SO4:
SULFATE ION

Source
  • tetronarce californica (Pacific electric ray)
  • homo sapiens (human)
KeywordsHYDROLASE / Cholinesterase / alzheimer disease / organophosphate / carbamylated / Butyrylcholinesterase / rivastigmine analogue / rational design

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