3i6z

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Image:3i6z.jpg

Template:STRUCTURE 3i6z

3D Structure of Torpedo californica acetylcholinesterase complexed with N-saccharinohexyl-galanthamine

Template:ABSTRACT PUBMED 20025280

About this Structure

3I6Z is a 1 chain structure of sequence from Torpedo californica. Full crystallographic information is available from OCA.

Reference

  • Bartolucci C, Haller LA, Jordis U, Fels G, Lamba D. Probing Torpedo californica Acetylcholinesterase Catalytic Gorge with Two Novel Bis-functional Galanthamine Derivatives. J Med Chem. 2009 Dec 21. PMID:20025280 doi:10.1021/jm901296p
  • Greenblatt HM, Guillou C, Guenard D, Argaman A, Botti S, Badet B, Thal C, Silman I, Sussman JL. The complex of a bivalent derivative of galanthamine with torpedo acetylcholinesterase displays drastic deformation of the active-site gorge: implications for structure-based drug design. J Am Chem Soc. 2004 Dec 1;126(47):15405-11. PMID:15563167 doi:http://dx.doi.org/10.1021/ja0466154
  • Greenblatt HM, Kryger G, Lewis T, Silman I, Sussman JL. Structure of acetylcholinesterase complexed with (-)-galanthamine at 2.3 A resolution. FEBS Lett. 1999 Dec 17;463(3):321-6. PMID:10606746
  • Bartolucci C, Perola E, Pilger C, Fels G, Lamba D. Three-dimensional structure of a complex of galanthamine (Nivalin) with acetylcholinesterase from Torpedo californica: implications for the design of new anti-Alzheimer drugs. Proteins. 2001 Feb 1;42(2):182-91. PMID:11119642
  • Pilger C, Bartolucci C, Lamba D, Tropsha A, Fels G. Accurate prediction of the bound conformation of galanthamine in the active site of Torpedo californica acetylcholinesterase using molecular docking. J Mol Graph Model. 2001;19(3-4):288-96, 374-8. PMID:11449566
  • Luttmann E, Linnemann E, Fels G. Galanthamine as bis-functional ligand for the acetylcholinesterase. J Mol Model. 2002 Jun;8(6):208-16. PMID:12140604 doi:10.1007/s00894-002-0086-9
  • Alisaraie L, Haller LA, Fels G. A QXP-based multistep docking procedure for accurate prediction of protein-ligand complexes. J Chem Inf Model. 2006 May-Jun;46(3):1174-87. PMID:16711737 doi:10.1021/ci050343m

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