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TitleDiscovery of multifunctional anti-Alzheimer's agents with a unique mechanism of action including inhibition of the enzyme butyrylcholinesterase and gamma-aminobutyric acid transporters.
Journal, issue, pagesEur. J. Med. Chem., Vol. 218, Page 113397-113397, Year 2021
Publish dateOct 10, 2020 (structure data deposition date)
AuthorsPasieka, A. / Panek, D. / Jonczyk, J. / Godyn, J. / Szalaj, N. / Latacz, G. / Tabor, J. / Mezeiova, E. / Chantegreil, F. / Dias, J. ...Pasieka, A. / Panek, D. / Jonczyk, J. / Godyn, J. / Szalaj, N. / Latacz, G. / Tabor, J. / Mezeiova, E. / Chantegreil, F. / Dias, J. / Knez, D. / Lu, J. / Pi, R. / Korabecny, J. / Brazzolotto, X. / Gobec, S. / Hofner, G. / Wanner, K. / Wieckowska, A. / Malawska, B.
External linksEur. J. Med. Chem. / PubMed:33838585
MethodsX-ray diffraction
Resolution2.25 Å
Structure data

PDB-7amz:
Crystal structure of human Butyrylcholinesterase in complex with N-((2S,3R)-4-((2,2-dimethylpropyl)amino)-3-hydroxy-1-phenylbutan-2-yl)-2,2-diphenylacetamide
Method: X-RAY DIFFRACTION / Resolution: 2.25 Å

Chemicals

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

ChemComp-GOL:
GLYCEROL

ChemComp-SIA:
N-acetyl-alpha-neuraminic acid

ChemComp-RNZ:
2,2-dimethylpropyl-[(2~{R},3~{S})-3-(2,2-diphenylethanoylamino)-2-oxidanyl-4-phenyl-butyl]azanium

ChemComp-MES:
2-(N-MORPHOLINO)-ETHANESULFONIC ACID / pH buffer*YM

ChemComp-SO4:
SULFATE ION

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsHYDROLASE / Butyrylcholinesterase / Inhibitor / Complex

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