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Structure paper

TitleKinetic and structural studies on the interactions of Torpedo californica acetylcholinesterase with two donepezil-like rigid analogues.
Journal, issue, pagesJ Enzyme Inhib Med Chem, Vol. 33, Page 794-803, Year 2018
Publish dateFeb 28, 2017 (structure data deposition date)
AuthorsCaliandro, R. / Pesaresi, A. / Cariati, L. / Procopio, A. / Oliverio, M. / Lamba, D.
External linksJ Enzyme Inhib Med Chem / PubMed:29651884
MethodsX-ray diffraction
Resolution2.17 - 2.25 Å
Structure data

PDB-5nap:
Torpedo californica acetylcholinesterase in complex with a non-chiral donepezil-like inhibitor 17
Method: X-RAY DIFFRACTION / Resolution: 2.17 Å

PDB-5nau:
Torpedo californica acetylcholinesterase in complex with a non-chiral donepezil-like compound 20
Method: X-RAY DIFFRACTION / Resolution: 2.25 Å

Chemicals

ChemComp-DZ7:
(2~{E})-5,6-dimethoxy-2-[[1-(phenylmethyl)piperidin-4-yl]methylidene]-3~{H}-inden-1-one

ChemComp-HOH:
WATER

ChemComp-DZ0:
(2~{E})-5-methoxy-2-[[1-(phenylmethyl)piperidin-4-yl]methylidene]-3~{H}-inden-1-one

Source
  • tetronarce californica (Pacific electric ray)
KeywordsHYDROLASE / Acetylcholinesterase / inhibitors / Alzheimer's disease / donepezil analogues / green chemistry

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