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TitleCrystal structure of human acetylcholinesterase in complex with tacrine: Implications for drug discovery
Journal, issue, pagesInt. J. Biol. Macromol., Vol. 210, Page 172-181, Year 2022
Publish dateFeb 8, 2021 (structure data deposition date)
AuthorsDileep, K. / Ihara, K. / Mishima-Tsumagari, C. / Kukimoto-Niino, M. / Yonemochi, M. / Hanada, K. / Shirouzu, M. / Zhang, K.Y.
External linksInt. J. Biol. Macromol. / Search PubMed
MethodsX-ray diffraction
Resolution2.45 - 2.85 Å
Structure data

PDB-7e3d:
Crystal structure of human acetylcholinesterase
Method: X-RAY DIFFRACTION / Resolution: 2.5 Å

PDB-7e3h:
Crystal structure of human acetylcholinesterase in complex with donepezil
Method: X-RAY DIFFRACTION / Resolution: 2.45 Å

PDB-7xn1:
Crystal structure of human acetylcholinesterase in complex with tacrine
Method: X-RAY DIFFRACTION / Resolution: 2.85 Å

Chemicals

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

ChemComp-HOH:
WATER

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

ChemComp-THA:
TACRINE / inhibitor, agonist*YM

Source
  • homo sapiens (human)
KeywordsHYDROLASE / Human acetylcholinesterase / hAChE / Alzheimer's disease

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