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6TNA
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BU of 6tna by Molmil
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
1ACL
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BU of 1acl by Molmil
QUATERNARY LIGAND BINDING TO AROMATIC RESIDUES IN THE ACTIVE-SITE GORGE OF ACETYLCHOLINESTERASE
Descriptor: ACETYLCHOLINESTERASE, DECAMETHONIUM ION
Authors:Sussman, J.L, Harel, M, Silman, I.
Deposit date:1993-08-18
Release date:1994-08-31
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Quaternary ligand binding to aromatic residues in the active-site gorge of acetylcholinesterase.
Proc.Natl.Acad.Sci.USA, 90, 1993
1ACJ
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BU of 1acj by Molmil
QUATERNARY LIGAND BINDING TO AROMATIC RESIDUES IN THE ACTIVE-SITE GORGE OF ACETYLCHOLINESTERASE
Descriptor: ACETYLCHOLINESTERASE, TACRINE
Authors:Sussman, J.L, Harel, M, Silman, I.
Deposit date:1993-08-18
Release date:1994-08-31
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Quaternary ligand binding to aromatic residues in the active-site gorge of acetylcholinesterase.
Proc.Natl.Acad.Sci.USA, 90, 1993
2ACK
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BU of 2ack by Molmil
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
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BU of 1h22 by Molmil
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
7B38
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BU of 7b38 by Molmil
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
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BU of 7b8e by Molmil
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
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BU of 7b2w by Molmil
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
6I2T
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BU of 6i2t by Molmil
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
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BU of 2xi4 by Molmil
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
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BU of 2xwd by Molmil
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
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BU of 1hbj by Molmil
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
1HC9
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BU of 1hc9 by Molmil
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
8GCH
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BU of 8gch by Molmil
GAMMA-CHYMOTRYPSIN IS A COMPLEX OF ALPHA-CHYMOTRYPSIN WITH ITS OWN AUTOLYSIS PRODUCTS
Descriptor: GAMMA-CHYMOTRYPSIN A, GLY ALA TRP PEPTIDE, SULFATE ION
Authors:Harel, M, Sussman, J.L, Silman, I.
Deposit date:1991-03-27
Release date:1992-04-15
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Gamma-chymotrypsin is a complex of alpha-chymotrypsin with its own autolysis products.
Biochemistry, 30, 1991
4Q1U
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BU of 4q1u by Molmil
Serum paraoxonase-1 by directed evolution with the K192Q mutation
Descriptor: BROMIDE ION, CALCIUM ION, CHLORIDE ION, ...
Authors:Ben-David, M, Sussman, J.L, Tawfik, D.S.
Deposit date:2014-04-04
Release date:2015-02-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.302 Å)
Cite:Catalytic stimulation by restrained active-site floppiness-the case of high density lipoprotein-bound serum paraoxonase-1.
J.Mol.Biol., 427, 2015
2J3Q
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BU of 2j3q by Molmil
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
1AX9
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BU of 1ax9 by Molmil
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
4AB1
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BU of 4ab1 by Molmil
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
2ACE
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BU of 2ace by Molmil
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
6XYS
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BU of 6xys by Molmil
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
2J25
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BU of 2j25 by Molmil
Partially deglycosylated glucoceramidase
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLUCOSYLCERAMIDASE, ...
Authors:Brumshtein, B, Wormald, M.R, Silman, I, Futerman, A.H, Sussman, J.L.
Deposit date:2006-08-16
Release date:2006-12-06
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural Comparison of Differently Glycosylated Forms of Acid-Beta-Glucosidase, the Defective Enzyme in Gaucher Disease
Acta Crystallogr.,Sect.D, 62, 2006
2J3D
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BU of 2j3d by Molmil
Native monoclinic form of Torpedo acetylcholinesterase
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, MAGNESIUM ION
Authors:Harel, M, Sussman, J.L.
Deposit date:2006-08-20
Release date:2008-06-24
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Native Monoclinic Form of Torpedo Acetylcholinesterase
To be Published
2J4F
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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
1ZGB
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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
1ZGC
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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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