5BWC
 
 | | ACETYLCHOLINESTERASE (E.C. 3.1.1.7) FROM TORPEDO CALIFORNICA IN COMPLEX WITH THE BIS-PYRIDINIUM OXIME ORTHO-7 | | 分子名称: | 1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase | | 著者 | Legler, P.M, Millard, C.B. | | 登録日 | 2015-06-07 | | 公開日 | 2015-09-09 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | | 主引用文献 | A conformational change in the peripheral anionic site of Torpedo californica acetylcholinesterase induced by a bis-imidazolium oxime.
Acta Crystallogr.,Sect.D, 71, 2015
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5C8V
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5CH3
 | | E3 alpha-esterase-7 carboxylesterase | | 分子名称: | Carboxylic ester hydrolase | | 著者 | Correy, G, Mabbitt, P, Jackson, C.J. | | 登録日 | 2015-07-10 | | 公開日 | 2016-06-15 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.71 Å) | | 主引用文献 | Mapping the Accessible Conformational Landscape of an Insect Carboxylesterase Using Conformational Ensemble Analysis and Kinetic Crystallography.
Structure, 24, 2016
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5CH5
 | | E3 alpha-esterase-7 carboxylesterase | | 分子名称: | Carboxylic ester hydrolase, DIETHYL HYDROGEN PHOSPHATE | | 著者 | Correy, G, Mabbitt, P, Jackson, C.J. | | 登録日 | 2015-07-10 | | 公開日 | 2016-06-15 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.53 Å) | | 主引用文献 | Mapping the Accessible Conformational Landscape of an Insect Carboxylesterase Using Conformational Ensemble Analysis and Kinetic Crystallography.
Structure, 24, 2016
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5DLP
 | | Acetylcholinesterase Methylene Blue no PEG | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3,7-BIS(DIMETHYLAMINO)PHENOTHIAZIN-5-IUM, Acetylcholinesterase, ... | | 著者 | Dym, O. | | 登録日 | 2015-09-07 | | 公開日 | 2016-03-30 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | The impact of crystallization conditions on structure-based drug design: A case study on the methylene blue/acetylcholinesterase complex.
Protein Sci., 25, 2016
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5DTI
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5DTJ
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5DYT
 | | Crystal structure of human butyrylcholinesterase in complex with N-((1-benzylpiperidin-3-yl)methyl)-N-methylnaphthalene-2-sulfonamide | | 分子名称: | 1,2-ETHANEDIOL, 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 | Coquelle, N, Brus, B, Colletier, J.P. | | 登録日 | 2015-09-25 | | 公開日 | 2016-10-05 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | | 主引用文献 | Development of an in-vivo active reversible butyrylcholinesterase inhibitor.
Sci Rep, 6, 2016
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5DYW
 | | Crystal structure of human butyrylcholinesterase in complex with N-((1-benzylpiperidin-3-yl)methyl)-N-(2-methoxyethyl)naphthalene-2-sulfonamide | | 分子名称: | 1,2-ETHANEDIOL, 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 | Coquelle, N, Brus, B, Colletier, J.P. | | 登録日 | 2015-09-25 | | 公開日 | 2017-01-18 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Development of an in-vivo active reversible butyrylcholinesterase inhibitor.
Sci Rep, 6, 2016
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5DYY
 | | Crystal structure of human butyrylcholinesterase in complex with N-((1-benzylpiperidin-3-yl)methyl)naphthalene-2-sulfonamide | | 分子名称: | 1,2-ETHANEDIOL, 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 | Coquelle, N, Brus, B, Colletier, J.P. | | 登録日 | 2015-09-25 | | 公開日 | 2017-01-18 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | Development of an in-vivo active reversible butyrylcholinesterase inhibitor.
Sci Rep, 6, 2016
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5E2I
 | | Acetylcholinesterase Methylene Blue no PEG | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, DECAMETHONIUM ION, ... | | 著者 | Dym, O. | | 登録日 | 2015-10-01 | | 公開日 | 2016-03-30 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | The impact of crystallization conditions on structure-based drug design: A case study on the methylene blue/acetylcholinesterase complex.
Protein Sci., 25, 2016
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5E4J
 | | Acetylcholinesterase Methylene Blue no PEG | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, DECAMETHONIUM ION, ... | | 著者 | Dym, O. | | 登録日 | 2015-10-06 | | 公開日 | 2016-03-30 | | 最終更新日 | 2021-05-12 | | 実験手法 | X-RAY DIFFRACTION (2.54 Å) | | 主引用文献 | The impact of crystallization conditions on structure-based drug design: A case study on the methylene blue/acetylcholinesterase complex.
Protein Sci., 25, 2016
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5E4T
 | | Acetylcholinesterase Methylene Blue with PEG | | 分子名称: | 1,2-ETHANEDIOL, 3,7-BIS(DIMETHYLAMINO)PHENOTHIAZIN-5-IUM, Acetylcholinesterase, ... | | 著者 | Dym, O. | | 登録日 | 2015-10-07 | | 公開日 | 2016-03-30 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.43 Å) | | 主引用文献 | The impact of crystallization conditions on structure-based drug design: A case study on the methylene blue/acetylcholinesterase complex.
Protein Sci., 25, 2016
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5EHN
 | | mAChE-syn TZ2PA5 complex | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-phenyl-5-[5-[3-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]-1,2,3-triazol-4-yl]pentyl]phenanthridin-5-ium-3,8-diamine, Acetylcholinesterase, ... | | 著者 | Bourne, Y, Marchot, P. | | 登録日 | 2015-10-28 | | 公開日 | 2016-01-20 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Steric and Dynamic Parameters Influencing In Situ Cycloadditions to Form Triazole Inhibitors with Crystalline Acetylcholinesterase.
J.Am.Chem.Soc., 138, 2016
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5EHQ
 | | mAChE-anti TZ2PA5 complex | | 分子名称: | 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, 6-phenyl-5-[5-[1-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]-1,2,3-triazol-4-yl]pentyl]phenanthridin-5-ium-3,8-diamine, ... | | 著者 | Bourne, Y, Marchot, P. | | 登録日 | 2015-10-28 | | 公開日 | 2016-01-20 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Steric and Dynamic Parameters Influencing In Situ Cycloadditions to Form Triazole Inhibitors with Crystalline Acetylcholinesterase.
J.Am.Chem.Soc., 138, 2016
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5EHX
 | | Crystal structure of MSF-aged Torpedo californica Acetylcholinesterase | | 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, 3,6,9,12,15-PENTAOXAHEPTADECAN-1-OL, ... | | 著者 | Pesaresi, A, Lamba, D. | | 登録日 | 2015-10-29 | | 公開日 | 2016-11-09 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Crystal structure of MSF-aged Torpedo californica Acetylcholinesterase
To Be Published
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5EHZ
 | | mAChE-syn TZ2PA5 complex from an equimolar mixture of the syn/anti isomers | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-phenyl-5-[5-[3-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]-1,2,3-triazol-4-yl]pentyl]phenanthridin-5-ium-3,8-diamine, Acetylcholinesterase, ... | | 著者 | Bourne, Y, Marchot, P. | | 登録日 | 2015-10-29 | | 公開日 | 2016-01-20 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Steric and Dynamic Parameters Influencing In Situ Cycloadditions to Form Triazole Inhibitors with Crystalline Acetylcholinesterase.
J.Am.Chem.Soc., 138, 2016
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5EI5
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5EIA
 | | mACHE-anti TZ2PA5 complex from a 1:6 mixture of the syn/anti isomers | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-phenyl-5-[5-[1-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]-1,2,3-triazol-4-yl]pentyl]phenanthridin-5-ium-3,8-diamine, Acetylcholinesterase, ... | | 著者 | Bourne, Y, Marchot, P. | | 登録日 | 2015-10-29 | | 公開日 | 2016-01-20 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Steric and Dynamic Parameters Influencing In Situ Cycloadditions to Form Triazole Inhibitors with Crystalline Acetylcholinesterase.
J.Am.Chem.Soc., 138, 2016
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5EIE
 | | mAChE-TZ2 complex | | 分子名称: | 2,5,8,11,14,17,20,23-OCTAOXAPENTACOSAN-25-OL, 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, ... | | 著者 | Bourne, Y, Marchot, P. | | 登録日 | 2015-10-29 | | 公開日 | 2016-01-20 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Steric and Dynamic Parameters Influencing In Situ Cycloadditions to Form Triazole Inhibitors with Crystalline Acetylcholinesterase.
J.Am.Chem.Soc., 138, 2016
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5EIH
 | | mAChE-TZ2/PA5 complex | | 分子名称: | 5-hept-6-ynyl-6-phenyl-phenanthridin-5-ium-3,8-diamine, ACETATE ION, Acetylcholinesterase, ... | | 著者 | Bourne, Y, Marchot, P. | | 登録日 | 2015-10-29 | | 公開日 | 2016-01-20 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Steric and Dynamic Parameters Influencing In Situ Cycloadditions to Form Triazole Inhibitors with Crystalline Acetylcholinesterase.
J.Am.Chem.Soc., 138, 2016
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5FKJ
 | | Crystal structure of mouse acetylcholinesterase in complex with C-547, an alkyl ammonium derivative of 6-methyl uracil | | 分子名称: | 1,3-BIS[5(DIETHYL-O-NITROBENZYLAMMONIUM)PENTYL]-6-METHYLURACIL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, ... | | 著者 | Nachon, F, Villard-Wandhammer, M, Petrov, K, Masson, P. | | 登録日 | 2015-10-16 | | 公開日 | 2016-03-16 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (3.133 Å) | | 主引用文献 | Slow-Binding Inhibition of Acetylcholinesterase by a 6-Methyluracil Alkyl-Ammonium Derivative: Mechanism and Advantages for Myasthenia Gravis Treatment.
Biochem.J., 473, 2016
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5FOQ
 | | Acetylcholinesterase in complex with C7653 | | 分子名称: | 2,5,8,11,14,17-HEXAOXANONADECAN-19-OL, 2-(2,4-dichlorophenoxy)-N-[4-(1-piperidinylmethyl)phenyl]acetamide, 2-(2-METHOXYETHOXY)ETHANOL, ... | | 著者 | Berg, L, Mishra, B.K, Andersson, D.C, Ekstrom, F, Linusson, A. | | 登録日 | 2015-11-25 | | 公開日 | 2016-03-02 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | The Nature of Activated Non-Classical Hydrogen Bonds: A Case Study on Acetylcholinesterase-Ligand Complexes.
Chemistry, 22, 2016
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5FPP
 | | Structure of a pre-reaction ternary complex between sarin- acetylcholinesterase and HI-6 | | 分子名称: | 2-(2-ETHOXYETHOXY)ETHANOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]PYRIDINIUM, ... | | 著者 | Allgardsson, A, Berg, L, Akfur, C, Hornberg, A, Worek, F, Linusson, A, Ekstrom, F. | | 登録日 | 2015-12-02 | | 公開日 | 2016-05-11 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Structure of a Prereaction Complex between the Nerve Agent Sarin, its Biological Target Acetylcholinesterase, and the Antidote Hi-6.
Proc.Natl.Acad.Sci.USA, 113, 2016
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5FPQ
 | | Structure of Homo sapiens acetylcholinesterase phosphonylated by sarin. | | 分子名称: | ACETYLCHOLINESTERASE, PENTAETHYLENE GLYCOL | | 著者 | Allgardsson, A, Berg, L, Akfur, C, Hornberg, A, Worek, F, Linusson, A, Ekstrom, F. | | 登録日 | 2015-12-02 | | 公開日 | 2016-05-11 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Structure of a Prereaction Complex between the Nerve Agent Sarin, its Biological Target Acetylcholinesterase, and the Antidote Hi-6.
Proc.Natl.Acad.Sci.USA, 113, 2016
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