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TitleTargeting Acetylcholinesterase: Identification of Chemical Leads by High Throughput Screening, Structure Determination and Molecular Modeling.
Journal, issue, pagesPlos One, Vol. 6, Page 26039-, Year 2011
Publish dateSep 22, 2011 (structure data deposition date)
AuthorsBerg, L. / Andersson, C.D. / Artursson, E. / Hornberg, A. / Tunemalm, A.K. / Linusson, A. / Ekstrom, F.
External linksPlos One / PubMed:22140425
MethodsX-ray diffraction
Resolution2.4 Å
Structure data

PDB-4a23:
Mus musculus Acetylcholinesterase in complex with racemic C5685
Method: X-RAY DIFFRACTION / Resolution: 2.4 Å

Chemicals

ChemComp-C56:
4-(DIMETHYLAMINO)-N-{[(2R)-1-ETHYLPYRROLIDIN-2-YL]METHYL}-2-METHOXY-5-NITROBENZAMIDE

ChemComp-C57:
4-(DIMETHYLAMINO)-N-{[(2S)-1-ETHYLPYRROLIDIN-2-YL]METHYL}-2-METHOXY-5-NITROBENZAMIDE

ChemComp-PEG:
DI(HYDROXYETHYL)ETHER

ChemComp-PE4:
2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL / precipitant*YM

ChemComp-HOH:
WATER

Source
  • mus musculus (house mouse)
KeywordsHYDROLASE / CHOLINESTERASE

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