2CKM
 
 | | Torpedo californica acetylcholinesterase complexed with alkylene- linked bis-tacrine dimer (7 carbon linker) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, N,N'-DI-1,2,3,4-TETRAHYDROACRIDIN-9-YLHEPTANE-1,7-DIAMINE | | Authors: | Brumshtein, B, Rydberg, E.H, Greenblatt, H.M, Wong, D.M, Shaya, D, Williams, L.D, Carlier, P.R, Pang, Y.P, Silman, I, Sussman, J.L. | | Deposit date: | 2006-04-20 | | Release date: | 2006-09-04 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Complexes of alkylene-linked tacrine dimers with Torpedo californica acetylcholinesterase: Binding of Bis5-tacrine produces a dramatic rearrangement in the active-site gorge.
J. Med. Chem., 49, 2006
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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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2V3D
 | | acid-beta-glucosidase with N-butyl-deoxynojirimycin | | Descriptor: | (2R,3R,4R,5S)-1-BUTYL-2-(HYDROXYMETHYL)PIPERIDINE-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: | 2007-08-14 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.96 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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2V9D
 | | Crystal Structure of YagE, a prophage protein belonging to the dihydrodipicolinic acid synthase family from E. coli K12 | | Descriptor: | YAGE | | Authors: | Manicka, S, Peleg, Y, Unger, T, Albeck, S, Dym, O, Greenblatt, H.M, Bourenkov, G, Lamzin, V, Krishnaswamy, S, Sussman, J.L. | | Deposit date: | 2007-08-23 | | Release date: | 2008-03-04 | | Last modified: | 2019-11-06 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Crystal Structure of Yage, a Putative Dhdps Like Protein from Escherichia Coli K12.
Proteins: Struct., Funct., Bioinf., 71, 2008
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2V8Z
 | | Crystal Structure of YagE, a prophage protein belonging to the dihydrodipicolinic acid synthase family from E. coli K12 | | Descriptor: | YAGE | | Authors: | Manicka, S, Peleg, Y, Unger, T, Albeck, S, Dym, O, Greenblatt, H.M, Bourenkov, G, Lamzin, V, Krishnaswamy, S, Sussman, J.L. | | Deposit date: | 2007-08-16 | | Release date: | 2008-03-04 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal Structure of Yage, a Putative Dhdps Like Protein from Escherichia Coli K12.
Proteins: Struct., Funct., Bioinf., 71, 2008
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2WG0
 | | AGED CONJUGATE OF TORPEDO CALIFORNICA ACETYLCHOLINESTERASE WITH SOMAN (OBTAINED BY IN CRYSTALLO AGING) | | 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: | 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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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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2W6C
 | | ACHE IN COMPLEX WITH A BIS-(-)-NOR-MEPTAZINOL DERIVATIVE | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[(3R)-3-ethyl-1-{9-[(3S)-3-ethyl-3-(3-hydroxyphenyl)azepan-1-yl]nonyl}azepan-3-yl]phenol, ... | | Authors: | Paz, A, Xie, Q, Greenblatt, H.M, Fu, W, Tang, Y, Silman, I, Qiu, Z, Sussman, J.L. | | Deposit date: | 2008-12-18 | | Release date: | 2009-04-07 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.69 Å) | | Cite: | The Crystal Structure of a Complex of Acetylcholinesterase with a Bis-(-)-Nor-Meptazinol Derivative Reveals Disruption of the Catalytic Triad.
J.Med.Chem., 52, 2009
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2WFZ
 | | NON-AGED CONJUGATE OF TORPEDO CALIFORNICA ACETYLCHOLINESTERASE WITH SOMAN | | Descriptor: | (1R)-1,2,2-TRIMETHYLPROPYL (S)-METHYLPHOSPHINATE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 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 (1.95 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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2WG2
 | | NON-AGED CONJUGATE OF TORPEDO CALIFORNICA ACETYLCHOLINESTERASE WITH SOMAN (ALTERNATIVE REFINEMENT) | | Descriptor: | (1R)-1,2,2-TRIMETHYLPROPYL (S)-METHYLPHOSPHINATE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 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: | 2010-04-21 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.95 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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1H23
 | | Structure of acetylcholinesterase (E.C. 3.1.1.7) complexed with (S,S)-(-)-bis(12)-hupyridone at 2.15A resolution | | Descriptor: | (S,S)-(-)-N,N'-DI-5'-[5',6',7',8'-TETRAHYDRO- 2'(1'H)-QUINOLYNYL]-1,12-DIAMINODODECANE 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
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1H22
 | | 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
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1Y7W
 | | Crystal structure of a halotolerant carbonic anhydrase from Dunaliella salina | | Descriptor: | ACETIC ACID, Halotolerant alpha-type carbonic anhydrase (dCA II), SODIUM ION, ... | | Authors: | Premkumar, L, Greenblatt, H.M, Bageshwar, U.K, Savchenko, T, Gokhman, I, Sussman, J.L, Zamir, A, Israel Structural Proteomics Center (ISPC) | | Deposit date: | 2004-12-10 | | Release date: | 2005-05-03 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Three-dimensional structure of a halotolerant algal carbonic anhydrase predicts halotolerance of a mammalian homolog.
Proc.Natl.Acad.Sci.Usa, 102, 2005
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1M4L
 | | STRUCTURE OF NATIVE CARBOXYPEPTIDASE A AT 1.25 RESOLUTION | | Descriptor: | CARBOXYPEPTIDASE A, ZINC ION | | Authors: | Kilshtain-Vardi, A, Glick, M, Greenblatt, H.M, Goldblum, A, Shoham, G. | | Deposit date: | 2002-07-03 | | Release date: | 2003-01-10 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Refined structure of bovine carboxypeptidase A at 1.25 A resolution.
Acta Crystallogr.,Sect.D, 59, 2003
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4SGB
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5OMI
 | | Crystal structure of GP2 from Lassa virus in a post fusion conformation | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Pre-glycoprotein polyprotein GP complex, ... | | Authors: | Shulman, A, Diskin, R. | | Deposit date: | 2017-07-31 | | Release date: | 2018-08-29 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.56 Å) | | Cite: | Variations in Core Packing of GP2 from Old World Mammarenaviruses in their Post-Fusion Conformations Affect Membrane-Fusion Efficiencies.
J.Mol.Biol., 431, 2019
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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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1F2O
 | | CRYSTAL STRUCTURE OF THE STREPTOMYCES GRISEUS AMINOPEPTIDASE COMPLEXED WITH L-LEUCINE | | Descriptor: | AMINOPEPTIDASE, CALCIUM ION, LEUCINE, ... | | Authors: | Gilboa, R, Spungin-Bialik, A, Wohlfahrt, G, Schomburg, D, Blumberg, S, Shoham, G. | | Deposit date: | 2000-05-28 | | Release date: | 2001-08-22 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Interactions of Streptomyces griseus aminopeptidase with amino acid reaction products and their implications toward a catalytic mechanism.
Proteins, 44, 2001
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1F2P
 | | CRYSTAL STRUCTURE OF THE STREPTOMYCES GRISEUS AMINOPEPTIDASE COMPLEXED WITH L-PHENYLALANINE | | Descriptor: | AMINOPEPTIDASE, CALCIUM ION, PHENYLALANINE, ... | | Authors: | Gilboa, R, Spungin-Bialik, A, Wohlfahrt, G, Schomburg, D, Blumberg, S, Shoham, G. | | Deposit date: | 2000-05-28 | | Release date: | 2001-08-22 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Interactions of Streptomyces griseus aminopeptidase with amino acid reaction products and their implications toward a catalytic mechanism.
Proteins, 44, 2001
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3I6M
 | | 3D Structure of Torpedo californica acetylcholinesterase complexed with N-piperidinopropyl-galanthamine | | Descriptor: | (4aS,6R,8aS)-3-methoxy-11-(3-piperidin-1-ylpropyl)-5,6,9,10,11,12-hexahydro-4aH-[1]benzofuro[3a,3,2-ef][2]benzazepin-6-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Lamba, D, Bartolucci, C. | | Deposit date: | 2009-07-07 | | Release date: | 2010-01-12 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Probing Torpedo californica acetylcholinesterase catalytic gorge with two novel bis-functional galanthamine derivatives.
J.Med.Chem., 53, 2010
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4U4M
 | | Crystal structure of 0.5M urea unfolded YagE, a KDG aldolase protein in complex with Pyruvate | | Descriptor: | 1,2-ETHANEDIOL, PYRUVIC ACID, UREA, ... | | Authors: | Manoj Kumar, P, Bhaskar, V, Manicka, S, Krishnaswamy, S. | | Deposit date: | 2014-07-24 | | Release date: | 2015-07-29 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (3.09 Å) | | Cite: | Crystal structure of 0.5M urea unfolded YagE, a KDG aldolase protein in complex with Pyruvate
To be published
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3I6Z
 | | 3D Structure of Torpedo californica acetylcholinesterase complexed with N-saccharinohexyl-galanthamine | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-{6-[(4aS,6R,8aS)-6-hydroxy-3-methoxy-5,6,9,10-tetrahydro-4aH-[1]benzofuro[3a,3,2-ef][2]benzazepin-11(12H)-yl]hexyl}-1 ,2-benzisothiazol-3(2H)-one 1,1-dioxide, ... | | Authors: | Lamba, D, Bartolucci, C. | | Deposit date: | 2009-07-07 | | Release date: | 2010-01-12 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Probing Torpedo californica acetylcholinesterase catalytic gorge with two novel bis-functional galanthamine derivatives.
J.Med.Chem., 53, 2010
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2DFP
 | | X-RAY STRUCTURE OF AGED DI-ISOPROPYL-PHOSPHORO-FLUORIDATE (DFP) BOUND TO ACETYLCHOLINESTERASE | | 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: | Kryger, G, Millard, C.B, Silman, I, Sussman, J.L. | | Deposit date: | 1998-12-07 | | Release date: | 1999-06-28 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structures of aged phosphonylated acetylcholinesterase: nerve agent reaction products at the atomic level.
Biochemistry, 38, 1999
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4PTN
 | | Crystal Structure of YagE, a KDG aldolase protein in complex with Magnesium cation coordinated L-glyceraldehyde | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, L-glyceraldehyde, ... | | Authors: | Manoj Kumar, P, Baskar, V, Manicka, S, Krishnaswamy, S. | | Deposit date: | 2014-03-11 | | Release date: | 2014-12-03 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Crystal structure of YagE, a putative DHDPS-like protein from Escherichia coli K12.
Proteins, 71, 2008
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1EE3
 | | Cadmium-substituted bovine pancreatic carboxypeptidase A (alfa-form) at pH 7.5 and 2 mM chloride in monoclinic crystal form | | Descriptor: | CADMIUM ION, PROTEIN (CARBOXYPEPTIDASE A) | | Authors: | Jensen, F, Bukrinsky, T, Bjerrum, J, Larsen, S. | | Deposit date: | 2000-01-30 | | Release date: | 2002-06-26 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Three high-resolution crystal structures of cadmium-substituted carboxypeptidase A provide insight into the enzymatic function
J.BIOL.INORG.CHEM., 7, 2002
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