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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
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
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
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
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
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
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
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
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
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
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
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
1ZGC
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BU of 1zgc by Molmil
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
1ZGB
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BU of 1zgb by Molmil
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
6XYU
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BU of 6xyu by Molmil
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
6XYY
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BU of 6xyy by Molmil
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
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
5HQ3
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BU of 5hq3 by Molmil
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
3M3D
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BU of 3m3d by Molmil
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
1UT6
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BU of 1ut6 by Molmil
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
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

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