AChE inhibitors and substrates

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Treatment of Alzheimer's disease

Please see pages AChE inhibitors and substrates (Part II) and AChE inhibitors and substrates (Part III).

AChE bivalent inhibitors

Please see pages AChE bivalent inhibitors and AChE bivalent inhibitors (Part II)

Selected 3D Structures of AChE

  • 2ace This is the original solved structure for Torpedo Californica
  • 1ea5 This is one of the highest quality representative X-ray structures in the PDB.
  • 1eve The E2020 (Aricept) complex.
  • 1ax9 Endrophonium complex.
  • 1vot Complex with Huperzine, a Chinese folk medicine.
  • 1fss Complex with snake venum toxin Fasciculin-II.
  • 1acj Complex with tacrine.
  • 1e66 Complex with huprine X.
  • 1dx6 Complex with galanthamine.
  • 1qti Complex with galanthamine.
  • 1w6r Complex with galanthamine iminium derivative.
  • 2ack Complex with edrophonium.
  • 1vzj Structure of the tetramerization domain of acetylcholinesterase.
  • 1gqr Complex with rivastigmine.
  • 1gqs Complex with NAP alone.
  • 1vxr Complex with VX.
  • 2vja Complex with OTMA.
  • 1som Complex with soman.
  • 2wfz Complex with nonaged soman.
  • 2wg0 Complex with aged soman.
  • 2wg1 Complex with aged soman and 2-PAM.
  • 1cfj Complex with aged sarin.
  • 2dfp Complex with aged DFP.

Additional Resources

For additional information, see: Alzheimer's Disease


  1. Sussman JL, Harel M, Frolow F, Oefner C, Goldman A, Toker L, Silman I. Atomic structure of acetylcholinesterase from Torpedo californica: a prototypic acetylcholine-binding protein. Science. 1991 Aug 23;253(5022):872-9. PMID:1678899
  2. Botti SA, Felder CE, Lifson S, Sussman JL, Silman I. A modular treatment of molecular traffic through the active site of cholinesterase. Biophys J. 1999 Nov;77(5):2430-50. PMID:10545346
  3. Raves ML, Harel M, Pang YP, Silman I, Kozikowski AP, Sussman JL. Structure of acetylcholinesterase complexed with the nootropic alkaloid, (-)-huperzine A. Nat Struct Biol. 1997 Jan;4(1):57-63. PMID:8989325
  4. Sanson B, Nachon F, Colletier JP, Froment MT, Toker L, Greenblatt HM, Sussman JL, Ashani Y, Masson P, Silman I, Weik M. Crystallographic Snapshots of Nonaged and Aged Conjugates of Soman with Acetylcholinesterase, and of a Ternary Complex of the Aged Conjugate with Pralidoxime (dagger). J Med Chem. 2009 Jul 30. PMID:19642642 doi:10.1021/jm900433t
  5. 5.0 5.1 5.2 Millard CB, Kryger G, Ordentlich A, Greenblatt HM, Harel M, Raves ML, Segall Y, Barak D, Shafferman A, Silman I, Sussman JL. Crystal structures of aged phosphonylated acetylcholinesterase: nerve agent reaction products at the atomic level. Biochemistry. 1999 Jun 1;38(22):7032-9. PMID:10353814 doi:

Proteopedia Page Contributors and Editors (what is this?)

Alexander Berchansky, Michal Harel, Jaime Prilusky, Joel L. Sussman, David Canner

DOI: (?)
Citation: Sussman J L, Berchansky A, Harel M, Canner D, Prilusky J, 2013, "AChE inhibitors and substrates", Proteopedia, DOI:
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