7B38
 
 | | Torpedo californica acetylcholinesterase complexed with Mg+2 | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, ... | | Authors: | Silman, I, Shnyrov, V.L, Ashani, Y, Roth, E, Nicolas, A, Sussman, J.L, Weiner, L. | | Deposit date: | 2020-11-29 | | Release date: | 2021-03-17 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Torpedo californica acetylcholinesterase is stabilized by binding of a divalent metal ion to a novel and versatile 4D motif.
Protein Sci., 30, 2021
|
|
7B8E
 | | Torpedo californica acetylcholinesterase complexed with Ca+2 | | Descriptor: | 1,2-ETHANEDIOL, 2-[2-(2-ethoxyethoxy)ethoxy]ethanol, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Silman, I, Shnyrov, V.L, Ashani, Y, Roth, E, Nicolas, A, Sussman, J.L. | | Deposit date: | 2020-12-12 | | Release date: | 2021-03-17 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | Torpedo californica acetylcholinesterase is stabilized by binding of a divalent metal ion to a novel and versatile 4D motif.
Protein Sci., 30, 2021
|
|
7B2W
 | | Torpedo californica acetylcholinesterase complexed with UO2 | | Descriptor: | Acetylcholinesterase, URANYL (VI) ION | | Authors: | Silman, I, Shnyrov, V.L, Ashani, Y, Roth, E, Nicolas, A, Sussman, J.L, Weiner, L. | | Deposit date: | 2020-11-28 | | Release date: | 2021-03-17 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Torpedo californica acetylcholinesterase is stabilized by binding of a divalent metal ion to a novel and versatile 4D motif.
Protein Sci., 30, 2021
|
|
2ACK
 | | ACETYLCHOLINESTERASE COMPLEXED WITH EDROPHONIUM, MONOCHROMATIC DATA | | Descriptor: | ACETYLCHOLINESTERASE, EDROPHONIUM ION | | Authors: | Raves, M.L, Sussman, J.L, Harel, M, Silman, I. | | Deposit date: | 1997-10-29 | | Release date: | 1998-02-11 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Static Laue diffraction studies on acetylcholinesterase.
Acta Crystallogr.,Sect.D, 54, 1998
|
|
1H22
 | | Structure of acetylcholinesterase (E.C. 3.1.1.7) complexed with (S,S)-(-)-bis(10)-hupyridone at 2.15A resolution | | Descriptor: | (S,S)-(-)-N,N'-DI-5'-[5',6',7',8'-TETRAHYDRO- 2'(1'H)-QUINOLYNYL]-1,10-DIAMINODECANE DIHYDROCHLORIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE | | Authors: | Wong, D.M, Greenblatt, H.M, Carlier, P.R, Han, Y.-F, Pang, Y.-P, Silman, I, Sussman, J.L. | | Deposit date: | 2002-07-30 | | Release date: | 2002-12-23 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Acetylcholinesterase Complexed with Bivalent Ligands Related to Huperzine A: Experimental Evidence for Species-Dependent Protein-Ligand Complementarity
J.Am.Chem.Soc., 125, 2003
|
|
6I2T
 | | CryoEM reconstruction of full-length, fully-glycosylated human butyrylcholinesterase tetramer | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Cholinesterase, lamellipodin-derived polyproline peptide | | Authors: | Leung, M.R, van Bezouwen, L.S, Schopfer, L.M, Sussman, J.L, Silman, I, Lockridge, O, Zeev-Ben-Mordehai, T. | | Deposit date: | 2018-11-01 | | Release date: | 2018-12-19 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (5.7 Å) | | Cite: | Cryo-EM structure of the native butyrylcholinesterase tetramer reveals a dimer of dimers stabilized by a superhelical assembly.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
|
|
2XI4
 | | Torpedo californica Acetylcholinesterase in Complex with Aflatoxin B1 (Orthorhombic Space Group) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, AFLATOXIN B1, ... | | Authors: | Sanson, B, Colletier, J.P, Xu, Y, Lang, P.T, Jiang, H, Silman, I, Sussman, J.L, Weik, M. | | Deposit date: | 2010-06-28 | | Release date: | 2011-03-23 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Backdoor Opening Mechanism in Acetylcholinesterase Based on X-Ray Crystallography and Molecular Dynamics Simulations.
Protein Sci., 20, 2011
|
|
2XWD
 | | X-RAY STRUCTURE OF ACID-BETA-GLUCOSIDASE WITH 5N,6O-(N'-(N-OCTYL)IMINO)NOJIRIMYCIN IN THE ACTIVE SITE | | Descriptor: | (3Z,5S,6R,7S,8R,8aR)-3-(octylimino)hexahydro[1,3]oxazolo[3,4-a]pyridine-5,6,7,8-tetrol, GLUCOSYLCERAMIDASE, SULFATE ION, ... | | Authors: | Brumshtein, B, Aguilar-Moncayo, M, Benito, J.M, Ortiz Mellet, C, Garcia Fernandez, J.M, Silman, I, Shaaltiel, Y, Sussman, J.L, Futerman, A.H. | | Deposit date: | 2010-11-01 | | Release date: | 2011-09-14 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.66 Å) | | Cite: | Cyclodextrin-Mediated Crystallization of Acid Beta-Glucosidase in Complex with Amphiphilic Bicyclic Nojirimycin Analogues.
Org.Biomol.Chem., 9, 2011
|
|
1HBJ
 | | X-ray Crystal structure of complex between Torpedo californica AChE and a reversible inhibitor, 4-Amino-5-fluoro-2-methyl-3-(3-trifluoroacetylbenzylthiomethyl)quinoline | | Descriptor: | 1-[3-({[(4-AMINO-5-FLUORO-2-METHYLQUINOLIN-3-YL)METHYL]THIO}METHYL)PHENYL]-2,2,2-TRIFLUOROETHANE-1,1-DIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Greenblatt, H.M, Kryger, G, Lewis, T.L, Doucet, C, Viner, R, Silman, I, Sussman, J.L. | | Deposit date: | 2001-04-16 | | Release date: | 2001-09-25 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | A Structure-Based Design Approach to the Development of Novel, Reversible Ache Inhibitors
J.Med.Chem., 44, 2001
|
|
8GCH
 | |
6EUE
 | | Rivastigmine analogue bound to Tc ACHE. | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, PENTAETHYLENE GLYCOL | | Authors: | De la Mora, E, Brazzolotto, X, Dighe, S.N, Silman, I, Weik, M, Ross, B. | | Deposit date: | 2017-10-30 | | Release date: | 2018-11-14 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Rivastigmine and metabolite analogues with putative Alzheimer's disease-modifying properties in a Caenorhabditis elegans model
Commun Chem, 2019
|
|
2XWE
 | | X-RAY STRUCTURE OF ACID-BETA-GLUCOSIDASE WITH 5N,6S-(N'-(N-OCTYL)IMINO)-6-THIONOJIRIMYCIN IN THE ACTIVE SITE | | Descriptor: | (3Z,5S,6R,7S,8R,8aS)-3-(octylimino)hexahydro[1,3]thiazolo[3,4-a]pyridine-5,6,7,8-tetrol, GLUCOSYLCERAMIDASE, PHOSPHATE ION, ... | | Authors: | Brumshtein, B, Aguilar-Moncayo, M, Benito, J.M, Ortiz Mellet, C, Garcia Fernandez, J.M, Silman, I, Shaaltiel, Y, Sussman, J.L, Futerman, A.H. | | Deposit date: | 2010-11-02 | | Release date: | 2011-09-14 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Cyclodextrin-Mediated Crystallization of Acid Beta-Glucosidase in Complex with Amphiphilic Bicyclic Nojirimycin Analogues.
Org.Biomol.Chem., 9, 2011
|
|
5HQ3
 | | Stable, high-expression variant of human acetylcholinesterase | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Acetylcholinesterase, O-ETHYLMETHYLPHOSPHONIC ACID ESTER GROUP | | Authors: | Goldenzweig, A, Goldsmith, M, Hill, S.E, Gertman, O, Laurino, P, Ashani, Y, Dym, O, Albeck, S, Unger, T, Prilusky, J, Lieberman, R.L, Aharoni, A, Silman, I, Sussman, J.L, Tawfik, D.S, Fleishman, S.J. | | Deposit date: | 2016-01-21 | | Release date: | 2016-07-27 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Automated Structure- and Sequence-Based Design of Proteins for High Bacterial Expression and Stability.
Mol.Cell, 63, 2016
|
|
1AX9
 | | ACETYLCHOLINESTERASE COMPLEXED WITH EDROPHONIUM, LAUE DATA | | Descriptor: | ACETYLCHOLINESTERASE, EDROPHONIUM ION | | Authors: | Raves, M.L, Ravelli, R.B.G, Sussman, J.L, Harel, M, Silman, I. | | Deposit date: | 1997-11-03 | | Release date: | 1998-02-11 | | Last modified: | 2023-08-02 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Static Laue diffraction studies on acetylcholinesterase.
Acta Crystallogr.,Sect.D, 54, 1998
|
|
1JJB
 | | A neutral molecule in cation-binding site: Specific binding of PEG-SH to Acetylcholinesterase from Torpedo californica | | Descriptor: | 1-DEOXY-1-THIO-HEPTAETHYLENE GLYCOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE | | Authors: | Koellner, G, Steiner, T, Millard, C.B, Silman, I, Sussman, J.L. | | Deposit date: | 2001-07-04 | | Release date: | 2002-07-17 | | Last modified: | 2021-06-02 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | A neutral molecule in a cation-binding site: specific binding of a PEG-SH to acetylcholinesterase from Torpedo californica.
J.Mol.Biol., 320, 2002
|
|
4PQE
 | | Crystal Structure of Human Acetylcholinesterase | | Descriptor: | Acetylcholinesterase | | Authors: | Dym, O, Unger, T, Toker, L, Silman, I, Sussman, J.L, Israel Structural Proteomics Center (ISPC) | | Deposit date: | 2014-03-02 | | Release date: | 2015-04-08 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystal Structure of Human Acetylcholinesterase
To be Published
|
|
1ODC
 | | STRUCTURE OF ACETYLCHOLINESTERASE (E.C. 3.1.1.7) COMPLEXED WITH N-4'-QUINOLYL-N'-9"-(1",2",3",4"-TETRAHYDROACRIDINYL)-1,8- DIAMINOOCTANE AT 2.2A RESOLUTION | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, N-QUINOLIN-4-YL-N'-(1,2,3,4-TETRAHYDROACRIDIN-9-YL)OCTANE-1,8-DIAMINE | | Authors: | Wong, D.M, Greenblatt, H.M, Carlier, P.R, Han, Y.-F, Pang, Y.-P, Silman, I, Sussman, J.L. | | Deposit date: | 2003-02-15 | | Release date: | 2005-03-23 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Complexes of Alkylene-Linked Tacrine Dimers with Torpedo Californica Acetylcholinesterase: Binding of Bis(5)-Tacrine Produces a Dramatic Rearrangement in the Active-Site Gorge.
J.Med.Chem., 49, 2006
|
|
3LII
 | | Recombinant human acetylcholinesterase | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, SULFATE ION | | Authors: | Dvir, H, Rosenberry, T, Harel, M, Silman, I, Sussman, J. | | Deposit date: | 2010-01-25 | | Release date: | 2010-03-16 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Acetylcholinesterase: From 3D structure to function.
Chem.Biol.Interact, 187, 2010
|
|
3M3D
 | | Crystal structure of Acetylcholinesterase in complex with Xenon | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Behnen, J, Brumshtein, B, Toker, L, Silman, I, Sussman, J.L, Klebe, G, Heine, A. | | Deposit date: | 2010-03-09 | | Release date: | 2011-03-09 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | Old acquantance rediscover; use of xenon/protein complexes as a generic tool for SAD phasing of inhouse data
To be Published
|
|
1ACL
 | |
1ACJ
 | |
2J4F
 | | Torpedo acetylcholinesterase - Hg heavy-atom derivative | | Descriptor: | ACETYLCHOLINESTERASE, MERCURY (II) ION | | Authors: | Kreimer, D.I, Dolginova, E.A, Raves, M, Sussman, J.L, Silman, I, Weiner, L. | | Deposit date: | 2006-08-30 | | Release date: | 2006-09-05 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | A Metastable State of Torpedo Californica Acetylcholinesterase Generated by Modification with Organomercurials
Biochemistry, 33, 1994
|
|
1UT6
 | | Structure of acetylcholinesterase (E.C. 3.1.1.7) complexed with N-9-(1',2',3',4'-Tetrahydroacridinyl)-1,8- diaminooctane at 2.4 angstroms resolution. | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, N-9-(1',2',3',4'-TETRAHYDROACRIDINYL)-1,8-DIAMINOOCTANE | | Authors: | Brumshtein, B, Wong, D.M, Greenblatt, H.M, Carlier, P.R, Pang, Y.-P, Silman, I, Sussman, J.L. | | Deposit date: | 2003-12-04 | | Release date: | 2005-04-21 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Complexes of Alkylene-Linked Tacrine Dimers with Torpedo Californica Acetylcholinesterase: Binding of Bis(5)-Tacrine Produces a Dramatic Rearrangement in the Active-Site Gorge.
J.Med.Chem., 49, 2006
|
|
2ACE
 | | NATIVE ACETYLCHOLINESTERASE (E.C. 3.1.1.7) FROM TORPEDO CALIFORNICA | | Descriptor: | ACETYLCHOLINE, ACETYLCHOLINESTERASE | | Authors: | Harel, M, Raves, M.L, Silman, I, Sussman, J.L. | | Deposit date: | 1996-06-23 | | Release date: | 1996-11-08 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure of acetylcholinesterase complexed with the nootropic alkaloid, (-)-huperzine A.
Nat.Struct.Biol., 4, 1997
|
|
1AMN
 | | TRANSITION STATE ANALOG: ACETYLCHOLINESTERASE COMPLEXED WITH M-(N,N,N-TRIMETHYLAMMONIO)TRIFLUOROACETOPHENONE | | Descriptor: | ACETYLCHOLINESTERASE, M-(N,N,N-TRIMETHYLAMMONIO)-2,2,2-TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE, SULFATE ION | | Authors: | Harel, M, Silman, I, Sussman, J.L. | | Deposit date: | 1996-02-13 | | Release date: | 1996-04-03 | | Last modified: | 2021-06-02 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | The X-ray structure of a transition state analog complex reveals the molecular origins of the catalytic power and substrate specificity of acetylcholinesterase.
J.Am.Chem.Soc., 118, 1996
|
|
