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1AMN
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BU of 1amn by Molmil
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
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
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
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
2VQ6
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BU of 2vq6 by Molmil
Torpedo californica acetylcholinesterase complexed with 2-PAM
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, N-hydroxy-1-(1-methylpyridin-2(1H)-ylidene)methanamine, ...
Authors:Harel, M, Silman, I, Sussman, J.L.
Deposit date:2008-03-11
Release date:2008-05-13
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:The Structure of Torpedo Californica Acetylcholinesterase Complexed with 2-Pam
To be Published
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:2011-07-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Gamma-chymotrypsin is a complex of alpha-chymotrypsin with its own autolysis products.
Biochemistry, 30, 1991
1FSS
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BU of 1fss by Molmil
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
1GCD
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BU of 1gcd by Molmil
REFINED CRYSTAL STRUCTURE OF "AGED" AND "NON-AGED" ORGANOPHOSPHORYL CONJUGATES OF GAMMA-CHYMOTRYPSIN
Descriptor: DIETHYL PHOSPHONATE, GAMMA-CHYMOTRYPSIN, SULFATE ION
Authors:Harel, M, Sussman, J.L, Silman, I.
Deposit date:1994-05-05
Release date:1994-06-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Refined crystal structures of "aged" and "non-aged" organophosphoryl conjugates of gamma-chymotrypsin.
J.Mol.Biol., 221, 1991
1GMH
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BU of 1gmh by Molmil
REFINED CRYSTAL STRUCTURE OF "AGED" AND "NON-AGED" ORGANOPHOSPHORYL CONJUGATES OF GAMMA-CHYMOTRYPSIN
Descriptor: GAMMA-CHYMOTRYPSIN A, PHOSPHORYLISOPROPANE, SULFATE ION
Authors:Harel, M, Sussman, J.L, Silman, I.
Deposit date:1994-07-01
Release date:1994-09-30
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Refined crystal structures of "aged" and "non-aged" organophosphoryl conjugates of gamma-chymotrypsin.
J.Mol.Biol., 221, 1991
1U65
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BU of 1u65 by Molmil
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
1V04
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BU of 1v04 by Molmil
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
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
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
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
1EA5
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BU of 1ea5 by Molmil
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
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
4QAB
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BU of 4qab by Molmil
X-RAY STRUCTURE of ACETYLCHOLINE BINDING PROTEIN (ACHBP) IN COMPLEX WITH 4-(MORPHOLIN-4-YL)-6-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN-2-AMINE
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(morpholin-4-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 (2.984 Å)
Cite:Structural basis for cooperative interactions of substituted 2-aminopyrimidines with the acetylcholine binding protein.
Proc.Natl.Acad.Sci.USA, 111, 2014
1B41
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BU of 1b41 by Molmil
HUMAN ACETYLCHOLINESTERASE COMPLEXED WITH FASCICULIN-II, GLYCOSYLATED PROTEIN
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, ACETYLCHOLINESTERASE, ...
Authors:Kryger, G, Harel, M, Shafferman, A, Silman, I, Sussman, J.L.
Deposit date:1999-01-05
Release date:2001-01-17
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.76 Å)
Cite:Structures of recombinant native and E202Q mutant human acetylcholinesterase complexed with the snake-venom toxin fasciculin-II.
Acta Crystallogr.,Sect.D, 56, 2000
3LII
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BU of 3lii by Molmil
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
3C84
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BU of 3c84 by Molmil
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
3C79
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BU of 3c79 by Molmil
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
5TSF
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BU of 5tsf by Molmil
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
5TVH
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BU of 5tvh by Molmil
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
1GQS
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BU of 1gqs by Molmil
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
3POY
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BU of 3poy by Molmil
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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