2VQ6
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2J3Q
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![BU of 2j3q by Molmil](/molmil-images/mine/2j3q) | Torpedo acetylcholinesterase complexed with fluorophore thioflavin T | Descriptor: | 2-[4-(DIMETHYLAMINO)PHENYL]-6-HYDROXY-3-METHYL-1,3-BENZOTHIAZOL-3-IUM, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, ... | Authors: | Harel, M, Cusack, B, Johnson, J.L, Silman, I, Sussman, J.L, Rosenberry, T.L. | Deposit date: | 2006-08-23 | Release date: | 2007-09-04 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structure of thioflavin T bound to the peripheral site of Torpedo californica acetylcholinesterase reveals how thioflavin T acts as a sensitive fluorescent reporter of ligand binding to the acylation site. J. Am. Chem. Soc., 130, 2008
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2J3D
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8GCH
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1FSS
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![BU of 1fss by Molmil](/molmil-images/mine/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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1GCD
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1GMH
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1AMN
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![BU of 1amn by Molmil](/molmil-images/mine/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
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1HC9
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![BU of 1hc9 by Molmil](/molmil-images/mine/1hc9) | alpha-bungarotoxin complexed with high affinity peptide | Descriptor: | ALPHA-BUNGAROTOXIN ISOFORM A31, ALPHA-BUNGAROTOXIN ISOFORM V31, IODIDE ION, ... | Authors: | Harel, M, Kasher, R, Sussman, J.L. | Deposit date: | 2001-05-02 | Release date: | 2001-11-10 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The Binding Site of Acetylcholine Receptor as Visualized in the X-Ray Structure of a Complex between Alpha-Bungarotoxin and a Mimotope Peptide. Neuron, 32, 2001
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1U65
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![BU of 1u65 by Molmil](/molmil-images/mine/1u65) | Ache W. CPT-11 | Descriptor: | (4S)-4,11-DIETHYL-4-HYDROXY-3,14-DIOXO-3,4,12,14-TETRAHYDRO-1H-PYRANO[3',4':6,7]INDOLIZINO[1,2-B]QUINOLIN-9-YL 1,4'-BIPIPERIDINE-1'-CARBOXYLATE, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, ... | Authors: | Harel, M, Hyatt, J.L, Brumshtein, B, Morton, C.L, Wadkins, R.W, Silman, I, Sussman, J.L, Potter, P.M, Israel Structural Proteomics Center (ISPC) | Deposit date: | 2004-07-29 | Release date: | 2005-07-19 | Last modified: | 2021-06-02 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | The crystal structure of the complex of the anticancer prodrug 7-ethyl-10-[4-(1-piperidino)-1-piperidino]-carbonyloxycamptothecin (CPT-11) with Torpedo californica acetylcholinesterase provides a molecular explanation for its cholinergic action Mol.Pharmacol., 67, 2005
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1V04
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![BU of 1v04 by Molmil](/molmil-images/mine/1v04) | serum paraoxonase by directed evolution | Descriptor: | CALCIUM ION, PHOSPHATE ION, SERUM PARAOXONASE/ARYLESTERASE 1 | Authors: | Harel, M, Aharoni, A, Gaidukov, L, Brumshtein, B, Khersonsky, O, Yagur, S, Meged, R, Dvir, H, Ravelli, R.B.G, McCarthy, A, Toker, L, Silman, I, Sussman, J.L, Tawfik, D.S. | Deposit date: | 2004-03-22 | Release date: | 2004-04-23 | Last modified: | 2017-03-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure and Evolution of the Serum Paraoxonase Family of Detoxifying and Anti-Atherosclerotic Enzymes Nat.Struct.Mol.Biol., 11, 2004
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1EA5
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![BU of 1ea5 by Molmil](/molmil-images/mine/1ea5) | NATIVE ACETYLCHOLINESTERASE (E.C. 3.1.1.7) FROM TORPEDO CALIFORNICA at 1.8A resolution | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE | Authors: | Harel, M, Weik, M, Silman, I, Sussman, J.L. | Deposit date: | 2000-11-06 | Release date: | 2000-11-08 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.8 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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2ACE
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![BU of 2ace by Molmil](/molmil-images/mine/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
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1ACL
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1ACJ
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1E66
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![BU of 1e66 by Molmil](/molmil-images/mine/1e66) | STRUCTURE OF ACETYLCHOLINESTERASE COMPLEXED WITH (-)-HUPRINE X AT 2.1A RESOLUTION | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-CHLORO-9-ETHYL-6,7,8,9,10,11-HEXAHYDRO-7,11-METHANOCYCLOOCTA[B]QUINOLIN-12-AMINE, ACETYLCHOLINESTERASE | Authors: | Dvir, H, Harel, M, Silman, I, Sussman, J.L. | Deposit date: | 2000-08-08 | Release date: | 2001-08-02 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | 3D Structure of Torpedo Californica Acetylcholinesterase Complexed with Huprine X at 2. 1 A Resolution: Kinetic and Molecular Dynamic Correlates. Biochemistry, 41, 2002
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3LII
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![BU of 3lii by Molmil](/molmil-images/mine/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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2ACK
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![BU of 2ack by Molmil](/molmil-images/mine/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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3C84
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![BU of 3c84 by Molmil](/molmil-images/mine/3c84) | Crystal structure of a complex of AChBP from aplysia californica and the neonicotinoid thiacloprid | Descriptor: | ISOPROPYL ALCOHOL, MAGNESIUM ION, Soluble acetylcholine receptor, ... | Authors: | Talley, T.T, Harel, M, Hibbs, R.E, Tomizawa, M, Casida, J.E, Taylor, P.W. | Deposit date: | 2008-02-08 | Release date: | 2008-05-20 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Atomic interactions of neonicotinoid agonists with AChBP: molecular recognition of the distinctive electronegative pharmacophore. Proc.Natl.Acad.Sci.Usa, 105, 2008
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3C79
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![BU of 3c79 by Molmil](/molmil-images/mine/3c79) | Crystal structure of Aplysia californica AChBP in complex with the neonicotinoid imidacloprid | Descriptor: | (2E)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimidazolidin-2-imine, ISOPROPYL ALCOHOL, Soluble acetylcholine receptor | Authors: | Talley, T.T, Harel, M, Hibbs, R.E, Tomizawa, M, Casida, J.E, Taylor, P.W. | Deposit date: | 2008-02-06 | Release date: | 2008-05-20 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Atomic interactions of neonicotinoid agonists with AChBP: molecular recognition of the distinctive electronegative pharmacophore. Proc.Natl.Acad.Sci.Usa, 105, 2008
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5TSF
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![BU of 5tsf by Molmil](/molmil-images/mine/5tsf) | Crystal structure of AChBP from Aplysia californica complex with 2-aminopyrimidine at pH 7.0 spacegroup P212121 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-chloro-N~4~,N~4~-bis[(pyridin-3-yl)methyl]pyrimidine-2,4-diamine, Soluble acetylcholine receptor | Authors: | Camacho-Hernandez, G.A, Kaczanowska, K, Harel, M, Finn, M.G, Taylor, P.W. | Deposit date: | 2016-10-28 | Release date: | 2017-10-25 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.286 Å) | Cite: | Crystal structure of AChBP from Aplysia californica complex with 2-aminopyrimidine at pH 7.0 spacegroup P212121 To Be Published
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5TVH
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![BU of 5tvh by Molmil](/molmil-images/mine/5tvh) | Crystal structure of AChBP from Aplysia californica complex with 2-aminopyrimidine at pH 8.0 spacegroup P21 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-chloro-N~4~,N~4~-bis[(pyridin-3-yl)methyl]pyrimidine-2,4-diamine, DIMETHYL SULFOXIDE, ... | Authors: | Camacho-Hernandez, G.A, Kaczanowska, K, Harel, M, Finn, M.G, Taylor, P.W. | Deposit date: | 2016-11-08 | Release date: | 2017-11-15 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of AChBP from Aplysia californica complex with 2-aminopyrimidine at pH 7.0 spacegroup P212121 To Be Published
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3POY
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![BU of 3poy by Molmil](/molmil-images/mine/3poy) | Crystal Structure of the alpha-Neurexin-1 ectodomain, LNS 2-6 | Descriptor: | Neurexin-1-alpha, beta-D-glucopyranose, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Miller, M.T, Mileni, M, Comoletti, D, Stevens, R.C, Harel, M, Taylor, P. | Deposit date: | 2010-11-23 | Release date: | 2011-06-08 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (3.02 Å) | Cite: | The crystal structure of the alpha-neurexin-1 extracellular region reveals a hinge point for mediating synaptic adhesion and function. Structure, 19, 2011
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1AX9
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![BU of 1ax9 by Molmil](/molmil-images/mine/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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4QAC
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![BU of 4qac by Molmil](/molmil-images/mine/4qac) | X-RAY STRUCTURE OF ACETYLCHOLINE BINDING PROTEIN (ACHBP) IN COMPLEX WITH 4-(4-methylpiperidin-1-yl)-6-(4-(trifluoromethyl)phenyl)pyrimidin-2-amine | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(4-methylpiperidin-1-yl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine, Acetylcholine-binding protein, ... | Authors: | Kaczanowska, K, Harel, M, Radic, Z, Changeux, J.-P, Finn, M.G, Taylor, P. | Deposit date: | 2014-05-03 | Release date: | 2014-07-16 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural basis for cooperative interactions of substituted 2-aminopyrimidines with the acetylcholine binding protein. Proc.Natl.Acad.Sci.USA, 111, 2014
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