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
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1Q83
| Crystal structure of the mouse acetylcholinesterase-TZ2PA6 syn complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3,8-DIAMINO-6-PHENYL-5-[6-[1-[2-[(1,2,3,4-TETRAHYDRO-9-ACRIDINYL)AMINO]ETHYL]-1H-1,2,3-TRIAZOL-5-YL]HEXYL]-PHENANTHRIDINIUM, Acetylcholinesterase, ... | Authors: | Bourne, Y, Kolb, H.C, Radic, Z, Sharpless, K.B, Taylor, P, Marchot, P. | Deposit date: | 2003-08-20 | Release date: | 2004-02-10 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Freeze-frame inhibitor captures acetylcholinesterase in a unique conformation. Proc.Natl.Acad.Sci.Usa, 101, 2004
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1Q84
| Crystal structure of the mouse acetylcholinesterase-TZ2PA6 anti complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3,8-DIAMINO-6-PHENYL-5-[6-[1-[2-[(1,2,3,4-TETRAHYDRO-9-ACRIDINYL)AMINO]ETHYL]-1H-1,2,3-TRIAZOL-4-YL]HEXYL]-PHENANTHRIDINIUM, Acetylcholinesterase, ... | Authors: | Bourne, Y, Kolb, H.C, Radic, Z, Sharpless, K.B, Taylor, P, Marchot, P. | Deposit date: | 2003-08-20 | Release date: | 2004-02-10 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Freeze-frame inhibitor captures acetylcholinesterase in a unique conformation. Proc.Natl.Acad.Sci.Usa, 101, 2004
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1UKC
| Crystal Structure of Aspergillus niger EstA | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Bourne, Y, Hasper, A.A, Chahinian, H, Juin, M, De Graaff, L.H, Marchot, P. | Deposit date: | 2003-08-19 | Release date: | 2004-07-27 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Aspergillus niger protein EstA defines a new class of fungal esterases within the alpha/beta hydrolase fold superfamily of proteins STRUCTURE, 12, 2004
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1P0M
| Crystal structure of human butyryl cholinesterase in complex with a choline molecule | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 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: | Nicolet, Y, Lockridge, O, Masson, P, Fontecilla-Camps, J.C, Nachon, F. | Deposit date: | 2003-04-10 | Release date: | 2003-08-05 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Crystal structure of human butyrylcholinesterase and of its complexes with substrate and products. J.Biol.Chem., 278, 2003
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1P0Q
| Crystal structure of soman-aged human butyryl cholinesterase | Descriptor: | 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, CHLORIDE ION, ... | Authors: | Nicolet, Y, Lockridge, O, Masson, P, Fontecilla-Camps, J.C, Nachon, F. | Deposit date: | 2003-04-10 | Release date: | 2003-08-05 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Crystal structure of human butyrylcholinesterase and of its complexes with substrate and products. J.Biol.Chem., 278, 2003
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1P0I
| Crystal structure of human butyryl cholinesterase | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 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: | Nicolet, Y, Lockridge, O, Masson, P, Fontecilla-Camps, J.C, Nachon, F. | Deposit date: | 2003-04-10 | Release date: | 2003-08-05 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of human butyrylcholinesterase and of its complexes with substrate and products. J.Biol.Chem., 278, 2003
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1P0P
| Crystal structure of soman-aged human butyryl cholinesterase in complex with the substrate analog butyrylthiocholine | Descriptor: | 2-(BUTYRYLSULFANYL)-N,N,N-TRIMETHYLETHANAMINIUM, 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: | Nicolet, Y, Lockridge, O, Masson, P, Fontecilla-Camps, J.C, Nachon, F. | Deposit date: | 2003-04-10 | Release date: | 2003-08-05 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of human butyrylcholinesterase and of its complexes with substrate and products. J.Biol.Chem., 278, 2003
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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
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1J07
| Crystal structure of the mouse acetylcholinesterase-decidium complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3,8-DIAMINO-5,10'-(TRIMETHYLAMMONIUM)DECYL-6-PHENYL PHENANTHRIDINIUM, CARBONATE ION, ... | Authors: | Bourne, Y, Taylor, P, Radic, Z, Marchot, P. | Deposit date: | 2002-11-07 | Release date: | 2003-02-04 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structural insights into ligand interactions at the acetylcholinesterase peripheral anionic site EMBO J., 22, 2003
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1N5R
| Crystal structure of the mouse acetylcholinesterase-propidium complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3,8-DIAMINO-5[3-(DIETHYLMETHYLAMMONIO)PROPYL]-6-PHENYLPHENANTHRIDINIUM, ACETIC ACID, ... | Authors: | Bourne, Y, Taylor, P, Radic, Z, Marchot, P. | Deposit date: | 2002-11-07 | Release date: | 2003-02-04 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structural insights into ligand interactions at the acetylcholinesterase peripheral anionic site EMBO J., 22, 2003
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1J06
| Crystal structure of mouse acetylcholinesterase in the apo form | Descriptor: | 2-(2-ETHOXYETHOXY)ETHANOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CARBONATE ION, ... | Authors: | Bourne, Y, Taylor, P, Radic, Z, Marchot, P. | Deposit date: | 2002-11-07 | Release date: | 2003-02-04 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structural insights into ligand interactions at the acetylcholinesterase peripheral anionic site EMBO J., 22, 2003
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1N5M
| Crystal structure of the mouse acetylcholinesterase-gallamine complex | Descriptor: | 2,2',2"-[1,2,3-BENZENE-TRIYLTRIS(OXY)]TRIS[N,N,N-TRIETHYLETHANAMINIUM], 2-acetamido-2-deoxy-beta-D-glucopyranose, CARBONATE ION, ... | Authors: | Bourne, Y, Taylor, P, Radic, Z, Marchot, P. | Deposit date: | 2002-11-06 | Release date: | 2003-02-04 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural insights into ligand interactions at the acetylcholinesterase peripheral anionic site EMBO J., 22, 2003
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1MX9
| Crystal Structure of Human Liver Carboxylesterase in complexed with naloxone methiodide, a heroin analogue | Descriptor: | (5A,17R)-4,5-EPOXY-3,14-DIHYDROXY-17-METHYL-6-OXO-17-(2-PROPENYL)-MORPHINANIUM, 2-acetamido-2-deoxy-beta-D-glucopyranose, liver Carboxylesterase I | Authors: | Bencharit, S, Morton, C.L, Xue, Y, Potter, P.M, Redinbo, M.R. | Deposit date: | 2002-10-01 | Release date: | 2003-04-08 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural Basis of Heroin and Cocaine Metabolism by a Promiscuous Human Drug-Processing Enzyme Nat.Struct.Biol., 10, 2003
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1MX5
| Crystal Structure of Human Liver Carboxylesterase in complexed with homatropine, a cocaine analogue | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, HOMOTROPINE, ... | Authors: | Bencharit, S, Morton, C.L, Xue, Y, Potter, P.M, Redinbo, M.R. | Deposit date: | 2002-10-01 | Release date: | 2003-04-08 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural Basis of Heroin and Cocaine Metabolism by a Promiscuous Human Drug-Processing Enzyme Nat.Struct.Biol., 10, 2003
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1MX1
| Crystal Structure of Human Liver Carboxylesterase in complex with tacrine | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, N-acetyl-alpha-neuraminic acid, ... | Authors: | Bencharit, S, Morton, C.L, Hyatt, J.L, Kuhn, P, Danks, M.K, Potter, P.M, Redinbo, M.R. | Deposit date: | 2002-10-01 | Release date: | 2003-04-22 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal Structure of Human Carboxylesterase 1 Complexed with the Alzheimer's
Drug Tacrine: From Binding Promiscuity to Selective Inhibition CHEM.BIOL., 10, 2003
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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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1GZ7
| Crystal structure of the closed state of lipase 2 from Candida rugosa | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, LIPASE 2 | Authors: | Mancheno, J.M, Hermoso, J.A. | Deposit date: | 2002-05-17 | Release date: | 2003-06-12 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Structural Insights Into the Lipase/Esterase Behavior in the Candida Rugosa Lipases Family: Crystal Structure of the Lipase 2 Isoenzyme at 1.97A Resolution J.Mol.Biol., 332, 2003
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1LLF
| Cholesterol Esterase (Candida Cylindracea) Crystal Structure at 1.4A resolution | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Lipase 3, TRICOSANOIC ACID | Authors: | Pletnev, V, Addlagatta, A, Wawrzak, Z, Duax, W. | Deposit date: | 2002-04-28 | Release date: | 2003-01-07 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Three-dimensional structure of homodimeric cholesterol esterase-ligand complex at 1.4 A resolution. Acta Crystallogr.,Sect.D, 59, 2003
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1KU6
| Fasciculin 2-Mouse Acetylcholinesterase Complex | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, ... | Authors: | Bourne, Y, Burmeister, W, Taylor, P, Marchot, P. | Deposit date: | 2002-01-21 | Release date: | 2003-12-23 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural insights into ligand interactions at the acetylcholinesterase peripheral anionic site. EMBO J., 22, 2003
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1GQR
| ACETYLCHOLINESTERASE (E.C. 3.1.1.7) COMPLEXED WITH RIVASTIGMINE | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOL, ACETYLCHOLINESTERASE, ... | Authors: | Raves, M.L, Harel, M, Silman, I, Sussman, J.L. | Deposit date: | 2001-12-04 | Release date: | 2002-03-15 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Kinetic and Structural Studies on the Interaction of Cholinesterases with the Anti-Alzheimer Drug Rivastigmine Biochemistry, 41, 2002
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1GQS
| ACETYLCHOLINESTERASE (E.C. 3.1.1.7) COMPLEXED WITH NAP | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOL, ACETYLCHOLINESTERASE | Authors: | Bar-on, P, Millard, C.B, Harel, M, Dvir, H, Enz, A, Sussman, J.L, Silman, I. | Deposit date: | 2001-12-04 | Release date: | 2002-03-15 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Kinetic and Structural Studies on the Interaction of Cholinesterases with the Anti-Alzheimer Drug Rivastigmine Biochemistry, 41, 2002
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1GPN
| STRUCTURE OF ACETYLCHOLINESTERASE COMPLEXED WITH HUPERZINE B AT 2.35A RESOLUTION | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, HUPERZINE B | Authors: | Dvir, H, Harel, M, Jiang, H.L, Silman, I, Sussman, J.L. | Deposit date: | 2001-11-07 | Release date: | 2002-08-29 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | X-Ray Structures of Torpedo Californica Acetylcholinesterase Complexed with (+)-Huperzine a and (-)-Huperzine B: Structural Evidence for an Active Site Rearrangement Biochemistry, 41, 2002
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1GPK
| Structure of Acetylcholinesterase Complex with (+)-Huperzine A at 2.1A Resolution | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, ... | Authors: | Dvir, H, Harel, M, Chetrit, M, Silman, I, Sussman, J.L. | Deposit date: | 2001-11-05 | Release date: | 2002-08-29 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | X-Ray Structures of Torpedo Californica Acetylcholinesterase Complexed with (+)-Huperzine a and (-)-Huperzine B: Structural Evidence for an Active Site Rearrangement Biochemistry, 41, 2002
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