1H23
 
 | | Structure of acetylcholinesterase (E.C. 3.1.1.7) complexed with (S,S)-(-)-bis(12)-hupyridone at 2.15A resolution | | Descriptor: | (S,S)-(-)-N,N'-DI-5'-[5',6',7',8'-TETRAHYDRO- 2'(1'H)-QUINOLYNYL]-1,12-DIAMINODODECANE 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
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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
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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
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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
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1C2B
 | | ELECTROPHORUS ELECTRICUS ACETYLCHOLINESTERASE | | Descriptor: | ACETYLCHOLINESTERASE | | Authors: | Bourne, Y, Marchot, P. | | Deposit date: | 1999-07-26 | | Release date: | 1999-12-29 | | Last modified: | 2021-06-02 | | Method: | X-RAY DIFFRACTION (4.5 Å) | | Cite: | Conformational flexibility of the acetylcholinesterase tetramer suggested by x-ray crystallography.
J.Biol.Chem., 274, 1999
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1C2O
 | | ELECTROPHORUS ELECTRICUS ACETYLCHOLINESTERASE | | Descriptor: | ACETYLCHOLINESTERASE | | Authors: | Bourne, Y, Marchot, P. | | Deposit date: | 1999-07-26 | | Release date: | 2000-01-19 | | Last modified: | 2021-06-02 | | Method: | X-RAY DIFFRACTION (4.2 Å) | | Cite: | Conformational flexibility of the acetylcholinesterase tetramer suggested by x-ray crystallography.
J.Biol.Chem., 274, 1999
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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
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1MAH
 | | FASCICULIN2-MOUSE ACETYLCHOLINESTERASE COMPLEX | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, FASCICULIN 2 | | Authors: | Bourne, Y, Taylor, P, Marchot, P. | | Deposit date: | 1995-11-21 | | Release date: | 1996-04-03 | | Last modified: | 2021-03-31 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Acetylcholinesterase inhibition by fasciculin: crystal structure of the complex.
Cell(Cambridge,Mass.), 83, 1995
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1VOT
 | | ACETYLCHOLINESTERASE (E.C. 3.1.1.7) COMPLEXED WITH HUPERZINE A | | Descriptor: | ACETYLCHOLINESTERASE, Huperzine A | | Authors: | Raves, M.L, Harel, M, Silman, I, Sussman, J.L. | | Deposit date: | 1996-06-23 | | Release date: | 1997-06-16 | | 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
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1OCE
 | | ACETYLCHOLINESTERASE (E.C. 3.1.1.7) COMPLEXED WITH MF268 | | Descriptor: | ACETYLCHOLINESTERASE, CIS-2,6-DIMETHYLMORPHOLINOOCTYLCARBAMYLESEROLINE | | Authors: | Bartolucci, C, Perola, E, Cellai, L, Brufani, M, Lamba, D. | | Deposit date: | 1998-06-12 | | Release date: | 1999-05-18 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | "Back door" opening implied by the crystal structure of a carbamoylated acetylcholinesterase.
Biochemistry, 38, 1999
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5DTI
 | | Crystal structure of mouse acetylcholinesterase | | Descriptor: | Acetylcholinesterase | | Authors: | Tran, T.H, Tong, L. | | Deposit date: | 2015-09-18 | | Release date: | 2015-10-21 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.003 Å) | | Cite: | Discovery of New Classes of Compounds that Reactivate Acetylcholinesterase Inhibited by Organophosphates.
Chembiochem, 16, 2015
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5OV9
 | | Crystal structure of Acetylcholinesterase in complex with Crystal Violet | | Descriptor: | 1,2-ETHANEDIOL, 2-(2-ETHOXYETHOXY)ETHANOL, 2-(2-METHOXYETHOXY)ETHANOL, ... | | Authors: | Allgardsson, A, Andersson, C.D, Akfur, C, Worek, F, Linusson, A, Ekstrom, F. | | Deposit date: | 2017-08-28 | | Release date: | 2017-09-06 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | An Unusual Dimeric Inhibitor of Acetylcholinesterase: Cooperative Binding of Crystal Violet.
Molecules, 22, 2017
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4M0F
 | | Structure of human acetylcholinesterase in complex with territrem B | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Cheung, J, Gary, E.N, Shiomi, K, Rosenberry, T.L. | | Deposit date: | 2013-08-01 | | Release date: | 2013-10-16 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.304 Å) | | Cite: | Structures of human acetylcholinesterase bound to dihydrotanshinone I and territrem B show peripheral site flexibility.
ACS Med Chem Lett, 4, 2013
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4M0E
 | | Structure of human acetylcholinesterase in complex with dihydrotanshinone I | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Cheung, J, Gary, E.N, Shiomi, K, Rosenberry, T.L. | | Deposit date: | 2013-08-01 | | Release date: | 2013-10-16 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structures of human acetylcholinesterase bound to dihydrotanshinone I and territrem B show peripheral site flexibility.
ACS Med Chem Lett, 4, 2013
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1FSS
 | | ACETYLCHOLINESTERASE (E.C. 3.1.1.7) COMPLEXED WITH FASCICULIN-II | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, FASCICULIN II, ... | | Authors: | Harel, M, Kleywegt, G.J, Silman, I, Sussman, J.L. | | Deposit date: | 1995-10-25 | | Release date: | 1996-03-08 | | Last modified: | 2021-06-02 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Crystal structure of an acetylcholinesterase-fasciculin complex: interaction of a three-fingered toxin from snake venom with its target.
Structure, 3, 1995
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5FOQ
 | | Acetylcholinesterase in complex with C7653 | | Descriptor: | 2,5,8,11,14,17-HEXAOXANONADECAN-19-OL, 2-(2,4-dichlorophenoxy)-N-[4-(1-piperidinylmethyl)phenyl]acetamide, 2-(2-METHOXYETHOXY)ETHANOL, ... | | Authors: | Berg, L, Mishra, B.K, Andersson, D.C, Ekstrom, F, Linusson, A. | | Deposit date: | 2015-11-25 | | Release date: | 2016-03-02 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The Nature of Activated Non-Classical Hydrogen Bonds: A Case Study on Acetylcholinesterase-Ligand Complexes.
Chemistry, 22, 2016
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5NAU
 | | Torpedo californica acetylcholinesterase in complex with a non-chiral donepezil-like compound 20 | | Descriptor: | (2~{E})-5-methoxy-2-[[1-(phenylmethyl)piperidin-4-yl]methylidene]-3~{H}-inden-1-one, Acetylcholinesterase, alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Caliandro, R, Pesaresi, A, Lamba, D. | | Deposit date: | 2017-02-28 | | Release date: | 2018-05-02 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Kinetic and structural studies on the interactions of Torpedo californica acetylcholinesterase with two donepezil-like rigid analogues.
J Enzyme Inhib Med Chem, 33, 2018
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5NAP
 | | Torpedo californica acetylcholinesterase in complex with a non-chiral donepezil-like inhibitor 17 | | Descriptor: | (2~{E})-5,6-dimethoxy-2-[[1-(phenylmethyl)piperidin-4-yl]methylidene]-3~{H}-inden-1-one, Acetylcholinesterase, alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Caliandro, R, Pesaresi, A, Lamba, D. | | Deposit date: | 2017-02-28 | | Release date: | 2018-05-02 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.17 Å) | | Cite: | Kinetic and structural studies on the interactions of Torpedo californica acetylcholinesterase with two donepezil-like rigid analogues.
J Enzyme Inhib Med Chem, 33, 2018
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4A23
 | | Mus musculus Acetylcholinesterase in complex with racemic C5685 | | Descriptor: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, 4-(DIMETHYLAMINO)-N-{[(2R)-1-ETHYLPYRROLIDIN-2-YL]METHYL}-2-METHOXY-5-NITROBENZAMIDE, 4-(DIMETHYLAMINO)-N-{[(2S)-1-ETHYLPYRROLIDIN-2-YL]METHYL}-2-METHOXY-5-NITROBENZAMIDE, ... | | Authors: | Berg, L, Andersson, C.D, Artrursson, E, Hornberg, A, Tunemalm, A.K, Linusson, A, Ekstrom, F. | | Deposit date: | 2011-09-22 | | Release date: | 2011-12-07 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Targeting Acetylcholinesterase: Identification of Chemical Leads by High Throughput Screening, Structure Determination and Molecular Modeling.
Plos One, 6, 2011
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2C5F
 | | Torpedo californica acetylcholinesterase in complex with a non hydrolysable substrate analogue, 4-oxo-N,N,N-trimethylpentanaminium | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4,4-DIHYDROXY-N,N,N-TRIMETHYLPENTAN-1-AMINIUM, ACETYLCHOLINESTERASE, ... | | Authors: | Colletier, J.P, Fournier, D, Greenblatt, H.M, Sussman, J.L, Zaccai, G, Silman, I, Weik, M. | | Deposit date: | 2005-10-27 | | Release date: | 2006-06-14 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural Insights Into Substrate Traffic and Inhibition in Acetylcholinesterase.
Embo J., 25, 2006
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2C4H
 | | Torpedo californica acetylcholinesterase in complex with 500mM acetylthiocholine | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ACETYL GROUP, ... | | Authors: | Colletier, J.P, Fournier, D, Greenblatt, H.M, Sussman, J.L, Zaccai, G, Silman, I, Weik, M. | | Deposit date: | 2005-10-19 | | Release date: | 2006-06-14 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structural insights into substrate traffic and inhibition in acetylcholinesterase.
EMBO J., 25, 2006
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2C58
 | | Torpedo californica acetylcholinesterase in complex with 20mM acetylthiocholine | | Descriptor: | 2-(TRIMETHYLAMMONIUM)ETHYL THIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, ... | | Authors: | Colletier, J.P, Fournier, D, Greenblatt, H.M, Sussman, J.L, Zaccai, G, Silman, I, Weik, M. | | Deposit date: | 2005-10-26 | | Release date: | 2006-06-14 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural Insights Into Substrate Traffic and Inhibition in Acetylcholinesterase.
Embo J., 25, 2006
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2C5G
 | | Torpedo californica acetylcholinesterase in complex with 20mM thiocholine | | Descriptor: | 2-(TRIMETHYLAMMONIUM)ETHYL THIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, ... | | Authors: | Colletier, J.P, Fournier, D, Greenblatt, H.M, Sussman, J.L, Zaccai, G, Silman, I, Weik, M. | | Deposit date: | 2005-10-27 | | Release date: | 2006-06-14 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structural Insights Into Substrate Traffic and Inhibition in Acetylcholinesterase.
Embo J., 25, 2006
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2C0Q
 | | non-aged form of mouse acetylcholinesterase inhibited by tabun | | Descriptor: | ACETYLCHOLINESTERASE, HEXAETHYLENE GLYCOL, R-ETHYL N,N-DIMETHYLPHOSPHONAMIDATE | | Authors: | Ekstrom, F, Akfur, C, Tunemalm, A.-K, Lundberg, S. | | Deposit date: | 2005-09-07 | | Release date: | 2006-01-09 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural Changes of Phenylalanine 338 and Histidine 447 Revealed by the Crystal Structures of Tabun-Inhibited Murine Acetylcholinesterase.
Biochemistry, 45, 2006
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2C0P
 | | Aged form of mouse acetylcholinesterase inhibited by tabun | | Descriptor: | ACETYLCHOLINESTERASE, ETHYL HYDROGEN PHOSPHONATE | | Authors: | Ekstrom, F, Akfur, C, Tunemalm, A.-K, Lundberg, S. | | Deposit date: | 2005-09-07 | | Release date: | 2006-01-09 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural Changes of Phenylalanine 338 and Histidine 447 Revealed by the Crystal Structures of Tabun-Inhibited Murine Acetylcholinesterase.
Biochemistry, 45, 2006
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