6TNA
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![BU of 6tna by Molmil](/molmil-images/mine/6tna) | CRYSTAL STRUCTURE OF YEAST PHENYLALANINE T-RNA. I.CRYSTALLOGRAPHIC REFINEMENT | Descriptor: | MAGNESIUM ION, TRNAPHE | Authors: | Sussman, J.L, Holbrook, S.R, Warrant, R.W, Church, G.M, Kim, S.-H. | Deposit date: | 1978-11-16 | Release date: | 1979-01-16 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structure of yeast phenylalanine transfer RNA. I. Crystallographic refinement. J.Mol.Biol., 123, 1978
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1ACL
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1ACJ
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8P7K
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![BU of 8p7k by Molmil](/molmil-images/mine/8p7k) | The impact of molecular variants, crystallization conditions and space group on structure-ligand complexes: A case study on Bacterial Phosphotriesterase Variants and complexes | Descriptor: | (2~{R})-2-methylpentanedioic acid, FORMIC ACID, Parathion hydrolase, ... | Authors: | Dym, O, Aggawal, N, Ashani, Y, Albeck, S, Unger, T, Hamer Rogotner, S, Silman, I, Sussman, J.L. | Deposit date: | 2023-05-30 | Release date: | 2023-06-07 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.929 Å) | Cite: | The impact of molecular variants, crystallization conditions and the space group on ligand-protein complexes: a case study on bacterial phosphotriesterase. Acta Crystallogr D Struct Biol, 79, 2023
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5HQ3
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![BU of 5hq3 by Molmil](/molmil-images/mine/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
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1VZJ
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![BU of 1vzj by Molmil](/molmil-images/mine/1vzj) | Structure of the tetramerization domain of acetylcholinesterase: four-fold interaction of a WWW motif with a left-handed polyproline helix | Descriptor: | ACETYLCHOLINESTERASE, ACETYLCHOLINESTERASE COLLAGENIC TAIL PEPTIDE | Authors: | Dvir, H, Harel, M, Bon, S, Liu, W.-Q, Vidal, M, Garbay, C, Sussman, J.L, Massoulie, J, Silman, I. | Deposit date: | 2004-05-20 | Release date: | 2005-01-10 | Last modified: | 2019-10-16 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | The Synaptic Acetylcholinesterase Tetramer Assembles Around a Polyproline-II Helix Embo J., 23, 2004
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1W76
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![BU of 1w76 by Molmil](/molmil-images/mine/1w76) | Orthorhombic form of Torpedo californica acetylcholinesterase (AChE) complexed with bis-acting galanthamine derivative | Descriptor: | (-)-GALANTHAMINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE | Authors: | Greenblatt, H.M, Guillou, C, Guenard, D, Badet, B, Thal, C, Silman, I, Sussman, J.L. | Deposit date: | 2004-08-30 | Release date: | 2004-11-25 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | 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., 126, 2004
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8GCH
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7B38
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![BU of 7b38 by Molmil](/molmil-images/mine/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
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7B8E
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![BU of 7b8e by Molmil](/molmil-images/mine/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
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7B2W
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![BU of 7b2w by Molmil](/molmil-images/mine/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
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4AB1
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![BU of 4ab1 by Molmil](/molmil-images/mine/4ab1) | Recombinant Human Carboxylesterase 1 from whole Cabbage Loopers | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, LIVER CARBOXYLESTERASE 1, THIOCYANATE ION | Authors: | Greenblatt, H.M, Otto, T.C, Cerasoli, D.M, Sussman, J.L. | Deposit date: | 2011-12-06 | Release date: | 2012-03-07 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure of Recombinant Human Carboxylesterase 1 Isolated from Whole Cabbage Looper Larvae. Acta Crystallogr.,Sect.F, 68, 2012
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6XYS
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![BU of 6xys by Molmil](/molmil-images/mine/6xys) | Update of native acetylcholinesterase from Drosophila Melanogaster | Descriptor: | ACETATE ION, Acetylcholinesterase, CHLORIDE ION, ... | Authors: | Nachon, F, Sussman, J.L. | Deposit date: | 2020-01-31 | Release date: | 2020-03-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.46 Å) | Cite: | A Second Look at the Crystal Structures ofDrosophila melanogasterAcetylcholinesterase in Complex with Tacrine Derivatives Provides Insights Concerning Catalytic Intermediates and the Design of Specific Insecticides. Molecules, 25, 2020
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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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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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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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1ZGB
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![BU of 1zgb by Molmil](/molmil-images/mine/1zgb) | Crystal Structure of Torpedo Californica Acetylcholinesterase in Complex With an (R)-Tacrine(10)-Hupyridone Inhibitor. | Descriptor: | (5R)-5-{[10-(1,2,3,4-TETRAHYDROACRIDIN-9-YLAMINO)DECYL]AMINO}-5,6,7,8-TETRAHYDROQUINOLIN-2(1H)-ONE, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase | Authors: | Haviv, H, Wong, D.M, Greenblatt, H.M, Carlier, P.R, Pang, Y.P, Silman, I, Sussman, J.L, Israel Structural Proteomics Center (ISPC) | Deposit date: | 2005-04-21 | Release date: | 2005-08-16 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal Packing Mediates Enantioselective Ligand Recognition at the Peripheral Site of Acetylcholinesterase J.Am.Chem.Soc., 127, 2005
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1ZGC
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![BU of 1zgc by Molmil](/molmil-images/mine/1zgc) | Crystal Structure of Torpedo Californica Acetylcholinesterase in Complex With an (RS)-Tacrine(10)-Hupyridone Inhibitor. | Descriptor: | (5S)-5-{[10-(1,2,3,4-TETRAHYDROACRIDIN-9-YLAMINO)DECYL]AMINO}-5,6,7,8-TETRAHYDROQUINOLIN-2(1H)-ONE, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase | Authors: | Haviv, H, Wong, D.M, Greenblatt, H.M, Carlier, P.R, Pang, Y.P, Silman, I, Sussman, J.L, Israel Structural Proteomics Center (ISPC) | Deposit date: | 2005-04-21 | Release date: | 2005-08-16 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal Packing Mediates Enantioselective Ligand Recognition at the Peripheral Site of Acetylcholinesterase J.Am.Chem.Soc., 127, 2005
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1JJB
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![BU of 1jjb by Molmil](/molmil-images/mine/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
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6XYU
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![BU of 6xyu by Molmil](/molmil-images/mine/6xyu) | Update of AChE from Drosophila Melanogaster complex with tacrine derivative 9-(3-iodobenzylamino)-1,2,3,4-tetrahydroacridine | Descriptor: | 9-(3-IODOBENZYLAMINO)-1,2,3,4-TETRAHYDROACRIDINE, Acetylcholinesterase, IODIDE ION, ... | Authors: | Nachon, F, Sussman, J.L. | Deposit date: | 2020-01-31 | Release date: | 2020-03-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | A Second Look at the Crystal Structures ofDrosophila melanogasterAcetylcholinesterase in Complex with Tacrine Derivatives Provides Insights Concerning Catalytic Intermediates and the Design of Specific Insecticides. Molecules, 25, 2020
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6XYY
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![BU of 6xyy by Molmil](/molmil-images/mine/6xyy) | Update of ACHE FROM DROSOPHILA MELANOGASTER COMPLEX WITH TACRINE DERIVATIVE 9-(3-PHENYLMETHYLAMINO)-1,2,3,4-TETRAHYDROACRIDINE | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 9-(3-PHENYLMETHYLAMINO)-1,2,3,4-TETRAHYDROACRIDINE, Acetylcholinesterase, ... | Authors: | Nachon, F, Sussman, J.L. | Deposit date: | 2020-01-31 | Release date: | 2020-03-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | A Second Look at the Crystal Structures ofDrosophila melanogasterAcetylcholinesterase in Complex with Tacrine Derivatives Provides Insights Concerning Catalytic Intermediates and the Design of Specific Insecticides. Molecules, 25, 2020
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3M3D
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![BU of 3m3d by Molmil](/molmil-images/mine/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
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1ODC
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![BU of 1odc by Molmil](/molmil-images/mine/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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6H0A
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![BU of 6h0a by Molmil](/molmil-images/mine/6h0a) | Serum paraoxonase-1 by directed evolution with the L69G/H115W/H134R/F222S/T332S mutations | Descriptor: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BROMIDE ION, CALCIUM ION, ... | Authors: | Ben-David, M, Sussman, J.L, Tawfik, D.S. | Deposit date: | 2018-07-07 | Release date: | 2019-07-17 | Last modified: | 2020-04-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Enzyme Evolution: An Epistatic Ratchet versus a Smooth Reversible Transition. Mol.Biol.Evol., 37, 2020
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6I2T
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![BU of 6i2t by Molmil](/molmil-images/mine/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
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