3TPP
 
 | | Crystal structure of BACE1 complexed with an inhibitor | | Descriptor: | Beta-secretase 1, CHLORIDE ION, N-[(1S,2R)-1-BENZYL-3-(CYCLOPROPYLAMINO)-2-HYDROXYPROPYL]-5-[METHYL(METHYLSULFONYL)AMINO]-N'-[(1R)-1-PHENYLETHYL]ISOPHTHALAMIDE, ... | | Authors: | Xu, Y.C, Li, M.J, Greenblatt, H, Chen, T.T, Silman, I, Sussman, J.L. | | Deposit date: | 2011-09-08 | | Release date: | 2011-11-23 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Flexibility of the flap in the active site of BACE1 as revealed by crystal structures and molecular dynamics simulations
Acta Crystallogr.,Sect.D, 68, 2012
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1F8U
 | | CRYSTAL STRUCTURE OF MUTANT E202Q OF HUMAN ACETYLCHOLINESTERASE COMPLEXED WITH GREEN MAMBA VENOM PEPTIDE FASCICULIN-II | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, FASCICULIN II | | Authors: | Kryger, G, Harel, M, Shafferman, A, Silman, I, Sussman, J.L. | | Deposit date: | 2000-07-05 | | Release date: | 2001-01-17 | | Last modified: | 2021-11-03 | | Method: | X-RAY DIFFRACTION (2.9 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
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1B41
 | | 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
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1GPN
 | | STRUCTURE OF ACETYLCHOLINESTERASE COMPLEXED WITH HUPERZINE B AT 2.35A RESOLUTION | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, HUPERZINE B | | Authors: | Dvir, H, Harel, M, Jiang, H.L, Silman, I, Sussman, J.L. | | Deposit date: | 2001-11-07 | | Release date: | 2002-08-29 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.35 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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1GPK
 | | Structure of Acetylcholinesterase Complex with (+)-Huperzine A at 2.1A Resolution | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, ... | | Authors: | Dvir, H, Harel, M, Chetrit, M, Silman, I, Sussman, J.L. | | Deposit date: | 2001-11-05 | | Release date: | 2002-08-29 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.1 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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1CFJ
 | | METHYLPHOSPHONYLATED ACETYLCHOLINESTERASE (AGED) OBTAINED BY REACTION WITH O-ISOPROPYLMETHYLPHOSPHONOFLUORIDATE (GB, SARIN) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, METHYLPHOSPHONIC ACID ESTER GROUP, PROTEIN (ACETYLCHOLINESTERASE) | | Authors: | Millard, C.B, Silman, I, Sussman, J.L. | | Deposit date: | 1999-03-19 | | Release date: | 1999-06-25 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal structures of aged phosphonylated acetylcholinesterase: nerve agent reaction products at the atomic level.
Biochemistry, 38, 1999
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1OGS
 | | human acid-beta-glucosidase | | 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: | Dvir, H, Harel, M, McCarthy, A.A, Toker, L, Silman, I, Futerman, A.H, Sussman, J.L. | | Deposit date: | 2003-05-13 | | Release date: | 2003-07-03 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | X-Ray Structure of Human Acid-Beta-Glucosidase, the Defective Enzyme in Gaucher Disease
Embo Rep., 4, 2003
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1HBJ
 | | 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
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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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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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1EEA
 | | Acetylcholinesterase | | Descriptor: | PROTEIN (ACETYLCHOLINESTERASE) | | Authors: | Raves, M.L, Giles, K, Schrag, J.D, Schmid, M.F, Phillips Jr, G.N, Wah, C, Howard, A.J, Silman, I, Sussman, J.L. | | Deposit date: | 1999-01-26 | | Release date: | 1999-02-01 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (4.5 Å) | | Cite: | Quaternary Structure of Tetrameric Acetylcholinesterase
Structure and Function of Cholinesterases and Related Proteins, 1998
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2J4F
 | | 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
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2J25
 | | 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
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2J3D
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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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1VXO
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1VXR
 | | O-ETHYLMETHYLPHOSPHONYLATED ACETYLCHOLINESTERASE OBTAINED BY REACTION WITH O-ETHYL-S-[2-[BIS(1-METHYLETHYL)AMINO]ETHYL] METHYLPHOSPHONOTHIOATE (VX) | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Millard, C.B, Koellner, G, Silman, I, Sussman, J.L. | | Deposit date: | 1999-04-21 | | Release date: | 1999-11-15 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Reaction Products of Acetylcholinesterase and VX Reveal a Mobile Histidine in the Catalytic Triad
J.Am.Chem.Soc., 121, 1999
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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
 | | 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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1CN1
 | | CRYSTAL STRUCTURE OF DEMETALLIZED CONCANAVALIN A. THE METAL-BINDING REGION | | Descriptor: | CONCANAVALIN A | | Authors: | Shoham, M, Yonath, A, Sussman, J.L, Moult, J, Traub, W, Gilboa(Kalb), A.J. | | Deposit date: | 1981-12-21 | | Release date: | 1982-03-04 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Crystal structure of demetallized concanavalin A: the metal-binding region.
J.Mol.Biol., 131, 1979
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1DX6
 | | STRUCTURE OF ACETYLCHOLINESTERASE COMPLEXED WITH (-)-GALANTHAMINE AT 2.3A RESOLUTION | | Descriptor: | (-)-GALANTHAMINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Greenblatt, H.M, Kryger, G, Lewis, T.T, Silman, I, Sussman, J.L. | | Deposit date: | 1999-12-21 | | Release date: | 2000-01-02 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure of Acetylcholinesterase Complexed with (-)-Galanthamine at 2.3A Resolution
FEBS Lett., 463, 1999
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2VJB
 | | Torpedo Californica Acetylcholinesterase In Complex With A Non Hydrolysable Substrate Analogue, 4-Oxo-N,N,N- Trimethylpentanaminium - Orthorhombic space group - Dataset D at 100K | | Descriptor: | (4R)-4-HYDROXY-N,N,N-TRIMETHYLPENTAN-1-AMINIUM, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, ... | | Authors: | Colletier, J.P, Bourgeois, D, Fournier, D, Silman, I, Sussman, J.L, Weik, M. | | Deposit date: | 2007-12-09 | | Release date: | 2008-07-22 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | Shoot-and-Trap: Use of Specific X-Ray Damage to Study Structural Protein Dynamics by Temperature-Controlled Cryo-Crystallography.
Proc.Natl.Acad.Sci.USA, 105, 2008
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2V3E
 | | acid-beta-glucosidase with N-nonyl-deoxynojirimycin | | Descriptor: | (2R,3R,4R,5S)-2-(HYDROXYMETHYL)-1-NONYLPIPERIDINE-3,4,5-TRIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, GLUCOSYLCERAMIDASE, ... | | Authors: | Brumshtein, B, Greenblatt, H.M, Butters, T.D, Shaaltiel, Y, Aviezer, D, Silman, I, Futerman, A.H, Sussman, J.L. | | Deposit date: | 2007-06-17 | | Release date: | 2007-08-21 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal Structures of Complexes of N-Butyl- and N-Nonyl-Deoxynojirimycin Bound to Acid Beta-Glucosidase: Insights Into the Mechanism of Chemical Chaperone Action in Gaucher Disease.
J.Biol.Chem., 282, 2007
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2VA9
 | | Structure of native TcAChE after a 9 seconds annealing to room temperature during the first 5 seconds of which laser irradiation at 266nm took place | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE | | Authors: | Colletier, J.-P, Sanson, B, Royant, A, Specht, A, Nachon, F, Masson, P, Zaccai, G, Sussman, J.L, Goeldner, M, Silman, I, Bourgeois, D, Weik, M. | | Deposit date: | 2007-08-30 | | Release date: | 2007-11-20 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Use of a 'Caged' Analog to Study Traffic of Choline within Acetylcholinesterase by Kinetic Crystallography
Acta Crystallogr.,Sect.D, 63, 2007
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2WG1
 | | TERNARY COMPLEX OF THE AGED CONJUGATE OF TORPEDO CALIFORNICA ACEYLCHOLINESTERASE WITH SOMAN AND 2-PAM | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, ... | | Authors: | Sanson, B, Nachon, F, Colletier, J.P, Froment, M.T, Toker, L, Greenblatt, H.M, Sussman, J.L, Ashani, Y, Masson, P, Silman, I, Weik, M. | | Deposit date: | 2009-04-15 | | Release date: | 2009-08-11 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystallographic Snapshots of Nonaged and Aged Conjugates of Soman with Acetylcholinesterase, and of a Ternary Complex of the Aged Conjugate with Pralidoxime.
J.Med.Chem., 52, 2009
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