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Structure paper

TitleStructures of human acetylcholinesterase in complex with pharmacologically important ligands.
Journal, issue, pagesJ. Med. Chem., Vol. 55, Page 10282-10286, Year 2012
Publish dateMay 1, 2012 (structure data deposition date)
AuthorsCheung, J. / Rudolph, M.J. / Burshteyn, F. / Cassidy, M.S. / Gary, E.N. / Love, J. / Franklin, M.C. / Height, J.J.
External linksJ. Med. Chem. / PubMed:23035744
MethodsX-ray diffraction
Resolution2.156 - 2.5958 Å
Structure data

PDB-4ey4:
Crystal Structure of Recombinant Human Acetylcholinesterase in the Apo state
Method: X-RAY DIFFRACTION / Resolution: 2.156 Å

PDB-4ey5:
Crystal Structure of Recombinant Human Acetylcholinesterase in Complex with (-)-huperzine A
Method: X-RAY DIFFRACTION / Resolution: 2.3012 Å

PDB-4ey6:
Crystal Structure of Recombinant Human Acetylcholinesterase in Complex with (-)-galantamine
Method: X-RAY DIFFRACTION / Resolution: 2.3983 Å

PDB-4ey7:
Crystal Structure of Recombinant Human Acetylcholinesterase in Complex with Donepezil
Method: X-RAY DIFFRACTION / Resolution: 2.3509 Å

PDB-4ey8:
Crystal structure of recombinant human acetylcholinesterase in complex with fasciculin-2
Method: X-RAY DIFFRACTION / Resolution: 2.5958 Å

Chemicals

ChemComp-EDO:
1,2-ETHANEDIOL

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

ChemComp-NO3:
NITRATE ION

ChemComp-PE8:
3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL

ChemComp-HOH:
WATER

ChemComp-HUP:
Huperzine A / alkaloid*YM

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

ChemComp-GNT:
(-)-GALANTHAMINE / inhibitor, alkaloid*YM

ChemComp-E20:
1-BENZYL-4-[(5,6-DIMETHOXY-1-INDANON-2-YL)METHYL]PIPERIDINE

ChemComp-SO4:
SULFATE ION

Source
  • homo sapiens (human)
  • dendroaspis angusticeps (eastern green mamba)
KeywordsHYDROLASE / acetylcholinesterase / apo / HYDROLASE/HYDROLASE INHIBITOR / huperzine A / inhibitor / HYDROLASE-HYDROLASE INHIBITOR complex / galantamine / galanthamine / donepezil / fasciculin 2 / snake venom toxin

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