3TPL
| APO Structure of BACE1 | 分子名称: | Beta-secretase 1, CHLORIDE ION, SULFATE ION | 著者 | Xu, Y.C, Li, M.J, Greenblatt, H, Chen, T.T, Silman, I, Sussman, J.L. | 登録日 | 2011-09-08 | 公開日 | 2011-11-23 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | 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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2C5G
| Torpedo californica acetylcholinesterase in complex with 20mM thiocholine | 分子名称: | 2-(TRIMETHYLAMMONIUM)ETHYL THIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, ... | 著者 | Colletier, J.P, Fournier, D, Greenblatt, H.M, Sussman, J.L, Zaccai, G, Silman, I, Weik, M. | 登録日 | 2005-10-27 | 公開日 | 2006-06-14 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Structural Insights Into Substrate Traffic and Inhibition in Acetylcholinesterase. Embo J., 25, 2006
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2C5F
| Torpedo californica acetylcholinesterase in complex with a non hydrolysable substrate analogue, 4-oxo-N,N,N-trimethylpentanaminium | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4,4-DIHYDROXY-N,N,N-TRIMETHYLPENTAN-1-AMINIUM, ACETYLCHOLINESTERASE, ... | 著者 | Colletier, J.P, Fournier, D, Greenblatt, H.M, Sussman, J.L, Zaccai, G, Silman, I, Weik, M. | 登録日 | 2005-10-27 | 公開日 | 2006-06-14 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Structural Insights Into Substrate Traffic and Inhibition in Acetylcholinesterase. Embo J., 25, 2006
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2C4H
| Torpedo californica acetylcholinesterase in complex with 500mM acetylthiocholine | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ACETYL GROUP, ... | 著者 | Colletier, J.P, Fournier, D, Greenblatt, H.M, Sussman, J.L, Zaccai, G, Silman, I, Weik, M. | 登録日 | 2005-10-19 | 公開日 | 2006-06-14 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Structural insights into substrate traffic and inhibition in acetylcholinesterase. EMBO J., 25, 2006
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2C58
| Torpedo californica acetylcholinesterase in complex with 20mM acetylthiocholine | 分子名称: | 2-(TRIMETHYLAMMONIUM)ETHYL THIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, ... | 著者 | Colletier, J.P, Fournier, D, Greenblatt, H.M, Sussman, J.L, Zaccai, G, Silman, I, Weik, M. | 登録日 | 2005-10-26 | 公開日 | 2006-06-14 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structural Insights Into Substrate Traffic and Inhibition in Acetylcholinesterase. Embo J., 25, 2006
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8P7K
| The impact of molecular variants, crystallization conditions and space group on structure-ligand complexes: A case study on Bacterial Phosphotriesterase Variants and complexes | 分子名称: | (2~{R})-2-methylpentanedioic acid, FORMIC ACID, Parathion hydrolase, ... | 著者 | Dym, O, Aggawal, N, Ashani, Y, Albeck, S, Unger, T, Hamer Rogotner, S, Silman, I, Sussman, J.L. | 登録日 | 2023-05-30 | 公開日 | 2023-06-07 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.929 Å) | 主引用文献 | The impact of molecular variants, crystallization conditions and the space group on ligand-protein complexes: a case study on bacterial phosphotriesterase. Acta Crystallogr D Struct Biol, 79, 2023
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8P7M
| The impact of molecular variants, crystallization conditions and space group on structure-ligand complexes: A case study on Bacterial Phosphotriesterase Variants and complexes | 分子名称: | FORMIC ACID, GLYCEROL, METHYLPHOSPHONIC ACID ESTER GROUP, ... | 著者 | Dym, O, Aggarwal, N, Ashani, Y, Albeck, S, Unger, T, Hamer Rogotner, S, Silman, I, Sussman, J.L. | 登録日 | 2023-05-30 | 公開日 | 2023-10-25 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | The impact of molecular variants, crystallization conditions and the space group on ligand-protein complexes: a case study on bacterial phosphotriesterase. Acta Crystallogr D Struct Biol, 79, 2023
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8P7Q
| The impact of molecular variants, crystallization conditions and space group on structure-ligand complexes: A case study on Bacterial Phosphotriesterase Variants and complexes | 分子名称: | 1-ethyl-1-methyl-cyclohexane, FORMIC ACID, GLYCEROL, ... | 著者 | Dym, O, Aggarwal, N, Ashani, Y, Albeck, S, Unger, T, Hamer Rogotner, S, Silman, I, Sussman, J.L. | 登録日 | 2023-05-30 | 公開日 | 2023-10-25 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | 主引用文献 | The impact of molecular variants, crystallization conditions and the space group on ligand-protein complexes: a case study on bacterial phosphotriesterase. Acta Crystallogr D Struct Biol, 79, 2023
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8P7H
| The impact of molecular variants, crystallization conditions and space group on structure-ligand complexes: A case study on Bacterial Phosphotriesterase Variants and complexes | 分子名称: | 1,2-ETHANEDIOL, 2-methylidene-1,3-dioxane-4,4-diol, FORMIC ACID, ... | 著者 | Dym, O, Aggarwal, N, Ashani, Y, Albeck, S, Unger, T, Hamer Rogotner, S, Silman, I, Sussman, J.L. | 登録日 | 2023-05-30 | 公開日 | 2023-10-25 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.774 Å) | 主引用文献 | The impact of molecular variants, crystallization conditions and the space group on ligand-protein complexes: a case study on bacterial phosphotriesterase. Acta Crystallogr D Struct Biol, 79, 2023
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8P7R
| The impact of molecular variants, crystallization conditions and space group on structure-ligand complexes: A case study on Bacterial Phosphotriesterase Variants and complexes | 分子名称: | 1-ethyl-1-methyl-cyclohexane, FORMIC ACID, GLYCEROL, ... | 著者 | Dym, O, Aggarwal, N, Ashani, Y, Albeck, S, Unger, T, Hamer Rogotner, S, Silman, I, Sussman, J.L. | 登録日 | 2023-05-30 | 公開日 | 2023-10-25 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | The impact of molecular variants, crystallization conditions and the space group on ligand-protein complexes: a case study on bacterial phosphotriesterase. Acta Crystallogr D Struct Biol, 79, 2023
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8P7U
| The impact of molecular variants, crystallization conditions and space group on structure-ligand complexes: A case study on Bacterial Phosphotriesterase Variants and complexes | 分子名称: | 1-ethyl-1-methyl-cyclohexane, FORMIC ACID, GLYCEROL, ... | 著者 | Dym, O, Aggarwal, N, Ashani, Y, Albeck, S, Unger, T, Hamer Rogotner, S, Silman, I, Sussman, J.L. | 登録日 | 2023-05-31 | 公開日 | 2023-10-25 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.38 Å) | 主引用文献 | The impact of molecular variants, crystallization conditions and the space group on ligand-protein complexes: a case study on bacterial phosphotriesterase. Acta Crystallogr D Struct Biol, 79, 2023
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8P7T
| The impact of molecular variants, crystallization conditions and space group on structure-ligand complexes: A case study on Bacterial Phosphotriesterase Variants and complexes | 分子名称: | 1-ethyl-1-methyl-cyclohexane, FORMIC ACID, GLYCEROL, ... | 著者 | Dym, O, Aggarwal, N, Ashani, Y, Albeck, S, Unger, T, Hamer Rogotner, S, Silman, I, Sussman, J.L. | 登録日 | 2023-05-31 | 公開日 | 2023-10-25 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | The impact of molecular variants, crystallization conditions and the space group on ligand-protein complexes: a case study on bacterial phosphotriesterase. Acta Crystallogr D Struct Biol, 79, 2023
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8P7V
| The impact of molecular variants, crystallization conditions and space group on structure-ligand complexes: A case study on Bacterial Phosphotriesterase Variants and complexes | 分子名称: | 1,2-ETHANEDIOL, 1-ethyl-1-methyl-cyclohexane, FORMIC ACID, ... | 著者 | Dym, O, Aggawal, N, Ashani, Y, Albeck, S, Unger, T, Hamer Rogotner, S, Silman, I, Sussman, J.L. | 登録日 | 2023-05-31 | 公開日 | 2023-10-25 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.737 Å) | 主引用文献 | The impact of molecular variants, crystallization conditions and the space group on ligand-protein complexes: a case study on bacterial phosphotriesterase. Acta Crystallogr D Struct Biol, 79, 2023
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8P7N
| The impact of molecular variants, crystallization conditions and space group on structure-ligand complexes: A case study on Bacterial Phosphotriesterase Variants and complexes | 分子名称: | FORMIC ACID, Parathion hydrolase, ZINC ION | 著者 | Dym, O, Aggarwal, N, Ashani, Y, Albeck, S, Unger, T, Hamer Rogotner, S, Silman, I, Sussman, J.L. | 登録日 | 2023-05-30 | 公開日 | 2023-10-25 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | The impact of molecular variants, crystallization conditions and the space group on ligand-protein complexes: a case study on bacterial phosphotriesterase. Acta Crystallogr D Struct Biol, 79, 2023
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8P7I
| The impact of molecular variants, crystallization conditions and space group on structure-ligand complexes: A case study on Bacterial Phosphotriesterase Variants and complexes | 分子名称: | (2~{S},6~{R})-2,6-dimethyl-1,3-dioxane-4,4-diol, FORMIC ACID, Parathion hydrolase, ... | 著者 | Dym, O, Aggarwal, N, Ashani, Y, Albeck, S, Unger, T, Hamer Rogotner, S, Silman, I, Sussman, J.L. | 登録日 | 2023-05-30 | 公開日 | 2023-10-25 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | The impact of molecular variants, crystallization conditions and the space group on ligand-protein complexes: a case study on bacterial phosphotriesterase. Acta Crystallogr D Struct Biol, 79, 2023
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8P7S
| The impact of molecular variants, crystallization conditions and space group on structure-ligand complexes: A case study on Bacterial Phosphotriesterase Variants and complexes | 分子名称: | 1,2-ETHANEDIOL, 1-ethyl-1-methyl-cyclohexane, FORMIC ACID, ... | 著者 | Dym, O, Aggarwal, N, Ashani, Y, Albeck, S, Unger, T, Hamer Rogotner, S, Silman, I, Sussman, J.L. | 登録日 | 2023-05-31 | 公開日 | 2023-10-25 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | 主引用文献 | The impact of molecular variants, crystallization conditions and the space group on ligand-protein complexes: a case study on bacterial phosphotriesterase. Acta Crystallogr D Struct Biol, 79, 2023
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8P7F
| The impact of molecular variants, crystallization conditions and space group on structure-ligand complexes: A case study on Bacterial Phosphotriesterase Variants and complexes | 分子名称: | Parathion hydrolase, ZINC ION | 著者 | Dym, O, Aggarwal, N, Ashani, Y, Albeck, S, Unger, T, Hamer Rogotner, S, Silman, I, Sussman, J.L. | 登録日 | 2023-05-30 | 公開日 | 2023-11-01 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | The impact of molecular variants, crystallization conditions and the space group on ligand-protein complexes: a case study on bacterial phosphotriesterase. Acta Crystallogr D Struct Biol, 79, 2023
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1DX6
| STRUCTURE OF ACETYLCHOLINESTERASE COMPLEXED WITH (-)-GALANTHAMINE AT 2.3A RESOLUTION | 分子名称: | (-)-GALANTHAMINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Greenblatt, H.M, Kryger, G, Lewis, T.T, Silman, I, Sussman, J.L. | 登録日 | 1999-12-21 | 公開日 | 2000-01-02 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structure of Acetylcholinesterase Complexed with (-)-Galanthamine at 2.3A Resolution FEBS Lett., 463, 1999
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1E66
| STRUCTURE OF ACETYLCHOLINESTERASE COMPLEXED WITH (-)-HUPRINE X AT 2.1A RESOLUTION | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-CHLORO-9-ETHYL-6,7,8,9,10,11-HEXAHYDRO-7,11-METHANOCYCLOOCTA[B]QUINOLIN-12-AMINE, ACETYLCHOLINESTERASE | 著者 | Dvir, H, Harel, M, Silman, I, Sussman, J.L. | 登録日 | 2000-08-08 | 公開日 | 2001-08-02 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | 3D Structure of Torpedo Californica Acetylcholinesterase Complexed with Huprine X at 2. 1 A Resolution: Kinetic and Molecular Dynamic Correlates. Biochemistry, 41, 2002
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1SOM
| TORPEDO CALIFORNICA ACETYLCHOLINESTERASE INHIBITED BY NERVE AGENT GD (SOMAN). | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, METHYLPHOSPHONIC ACID ESTER GROUP, PROTEIN (ACETYLCHOLINESTERASE), ... | 著者 | Greenblatt, H.M, Millard, C.B, Sussman, J.L, Silman, I. | 登録日 | 1999-03-17 | 公開日 | 1999-06-25 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Crystal structures of aged phosphonylated acetylcholinesterase: nerve agent reaction products at the atomic level. Biochemistry, 38, 1999
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1VOT
| ACETYLCHOLINESTERASE (E.C. 3.1.1.7) COMPLEXED WITH HUPERZINE A | 分子名称: | ACETYLCHOLINESTERASE, Huperzine A | 著者 | Raves, M.L, Harel, M, Silman, I, Sussman, J.L. | 登録日 | 1996-06-23 | 公開日 | 1997-06-16 | 最終更新日 | 2023-08-09 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Structure of acetylcholinesterase complexed with the nootropic alkaloid, (-)-huperzine A. Nat.Struct.Biol., 4, 1997
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1F8U
| CRYSTAL STRUCTURE OF MUTANT E202Q OF HUMAN ACETYLCHOLINESTERASE COMPLEXED WITH GREEN MAMBA VENOM PEPTIDE FASCICULIN-II | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, FASCICULIN II | 著者 | Kryger, G, Harel, M, Shafferman, A, Silman, I, Sussman, J.L. | 登録日 | 2000-07-05 | 公開日 | 2001-01-17 | 最終更新日 | 2021-11-03 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | 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 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, HUPERZINE B | 著者 | Dvir, H, Harel, M, Jiang, H.L, Silman, I, Sussman, J.L. | 登録日 | 2001-11-07 | 公開日 | 2002-08-29 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | 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 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, ... | 著者 | Dvir, H, Harel, M, Chetrit, M, Silman, I, Sussman, J.L. | 登録日 | 2001-11-05 | 公開日 | 2002-08-29 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | 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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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 | 分子名称: | 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, ... | 著者 | Greenblatt, H.M, Kryger, G, Lewis, T.L, Doucet, C, Viner, R, Silman, I, Sussman, J.L. | 登録日 | 2001-04-16 | 公開日 | 2001-09-25 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | A Structure-Based Design Approach to the Development of Novel, Reversible Ache Inhibitors J.Med.Chem., 44, 2001
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