5DTI
 
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2HA2
 | | Crystal structure of mouse acetylcholinesterase complexed with succinylcholine | | 分子名称: | 2,2'-[(1,4-DIOXOBUTANE-1,4-DIYL)BIS(OXY)]BIS(N,N,N-TRIMETHYLETHANAMINIUM), 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 | Bourne, Y, Radic, Z, Sulzenbacher, G, Kim, E, Taylor, P, Marchot, P. | | 登録日 | 2006-06-12 | | 公開日 | 2006-07-18 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Substrate and product trafficking through the active center gorge of acetylcholinesterase analyzed by crystallography and equilibrium binding
J.Biol.Chem., 281, 2006
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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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8ORC
 | | Mus Musculus Acetylcholinesterase in complex with AL237 | | 分子名称: | 1-[2-(dimethylamino)ethyl]-3-(2-methoxyphenyl)thiourea, 2,5,8,11,14,17,20,23-OCTAOXAPENTACOSAN-25-OL, 2-(2-METHOXYETHOXY)ETHANOL, ... | | 著者 | Ekstrom, F.E, Linusson, A. | | 登録日 | 2023-04-13 | | 公開日 | 2024-04-24 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Enzyme Dynamics Determine Potency and Selectivity of Inhibitors Targeting Disease-Transmitting Mosquitoes
To Be Published
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4B85
 | | Mus musculus Acetylcholinesterase in complex with 4-Chloranyl-N-(2- diethylamino-ethyl)-benzenesulfonamide | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-chloranyl-N-[2-(diethylamino)ethyl]benzenesulfonamide, ACETYLCHOLINESTERASE, ... | | 著者 | Andersson, C.D, Forsgren, N, Akfur, C, Allgardsson, A, Berg, L, Qian, W, Ekstrom, F, Linusson, A. | | 登録日 | 2012-08-24 | | 公開日 | 2013-09-04 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Divergent Structure-Activity Relationships of Structurally Similar Acetylcholinesterase Inhibitors.
J.Med.Chem., 56, 2013
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4B82
 | | Mus musculus Acetylcholinesterase in complex with N-(2-Diethylamino- ethyl)-2-fluoranyl-benzenesulfonamide | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Andersson, C.D, Forsgren, N, Akfur, C, Allgardsson, A, Berg, L, Qian, W, Ekstrom, F, Linusson, A. | | 登録日 | 2012-08-24 | | 公開日 | 2013-09-04 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Divergent Structure-Activity Relationships of Structurally Similar Acetylcholinesterase Inhibitors.
J.Med.Chem., 56, 2013
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2WHQ
 | | Crystal structure of acetylcholinesterase, phosphonylated by sarin (aged) in complex with HI-6 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]PYRIDINIUM, ACETYLCHOLINESTERASE, ... | | 著者 | Ekstrom, F, Hornberg, A, Artursson, E, Hammarstrom, L.G, Schneider, G, Pang, Y.P. | | 登録日 | 2009-05-06 | | 公開日 | 2009-06-30 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Structure of Hi-6Sarin-Acetylcholinesterase Determined by X-Ray Crystallography and Molecular Dynamics Simulation: Reactivator Mechanism and Design.
Plos One, 4, 2009
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2HA5
 | | Crystal structure of mutant S203A of acetylcholinesterase complexed with acetylthiocholine | | 分子名称: | 2-(TRIMETHYLAMMONIUM)ETHYL THIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ... | | 著者 | Bourne, Y, Radic, Z, Sulzenbacher, G, Kim, E, Taylor, P, Marchot, P. | | 登録日 | 2006-06-12 | | 公開日 | 2006-07-18 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Substrate and product trafficking through the active center gorge of acetylcholinesterase analyzed by crystallography and equilibrium binding
J.Biol.Chem., 281, 2006
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1N5M
 | | Crystal structure of the mouse acetylcholinesterase-gallamine complex | | 分子名称: | 2,2',2"-[1,2,3-BENZENE-TRIYLTRIS(OXY)]TRIS[N,N,N-TRIETHYLETHANAMINIUM], 2-acetamido-2-deoxy-beta-D-glucopyranose, CARBONATE ION, ... | | 著者 | Bourne, Y, Taylor, P, Radic, Z, Marchot, P. | | 登録日 | 2002-11-06 | | 公開日 | 2003-02-04 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Structural insights into ligand interactions at the acetylcholinesterase peripheral anionic site
EMBO J., 22, 2003
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2WHP
 | | Crystal structure of acetylcholinesterase, phosphonylated by sarin and in complex with HI-6 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]PYRIDINIUM, ACETYLCHOLINESTERASE, ... | | 著者 | Ekstrom, F, Hornberg, A, Artursson, E, Hammarstrom, L.G, Schneider, G, Pang, Y.P. | | 登録日 | 2009-05-06 | | 公開日 | 2009-06-30 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Structure of Hi-6Sarin-Acetylcholinesterase Determined by X-Ray Crystallography and Molecular Dynamics Simulation: Reactivator Mechanism and Design.
Plos One, 4, 2009
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2HA0
 | | Crystal structure of mouse acetylcholinesterase complexed with 4-ketoamyltrimethylammonium | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4,4-DIHYDROXY-N,N,N-TRIMETHYLPENTAN-1-AMINIUM, Acetylcholinesterase, ... | | 著者 | Bourne, Y, Radic, Z, Sulzenbacher, G, Kim, E, Taylor, P, Marchot, P. | | 登録日 | 2006-06-12 | | 公開日 | 2006-07-18 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Substrate and product trafficking through the active center gorge of acetylcholinesterase analyzed by crystallography and equilibrium binding
J.Biol.Chem., 281, 2006
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2GYU
 | | Crystal structure of Mus musculus Acetylcholinesterase in complex with HI-6 | | 分子名称: | 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]PYRIDINIUM, ... | | 著者 | Pang, Y.P, Boman, M, Artursson, E, Akfur, C, Lundberg, S. | | 登録日 | 2006-05-10 | | 公開日 | 2006-08-15 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Crystal structures of acetylcholinesterase in complex with HI-6, Ortho-7 and obidoxime: Structural basis for differences in the ability to reactivate tabun conjugates.
Biochem.Pharm., 72, 2006
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1N5R
 | | Crystal structure of the mouse acetylcholinesterase-propidium complex | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3,8-DIAMINO-5[3-(DIETHYLMETHYLAMMONIO)PROPYL]-6-PHENYLPHENANTHRIDINIUM, ACETIC ACID, ... | | 著者 | Bourne, Y, Taylor, P, Radic, Z, Marchot, P. | | 登録日 | 2002-11-07 | | 公開日 | 2003-02-04 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Structural insights into ligand interactions at the acetylcholinesterase peripheral anionic site
EMBO J., 22, 2003
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4ARB
 | | Mus musculus Acetylcholinesterase in complex with (S)-C5685 at 2.25 A resolution. | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(DIMETHYLAMINO)-N-{[(2S)-1-ETHYLPYRROLIDIN-2-YL]METHYL}-2-METHOXY-5-NITROBENZAMIDE, ACETYLCHOLINESTERASE, ... | | 著者 | Berg, L, Niemiec, M.S, Qian, W, Andersson, C.D, WittungStafshede, P, Ekstrom, F, Linusson, A. | | 登録日 | 2012-04-23 | | 公開日 | 2012-11-28 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Similar But Different: Thermodynamic and Structural Characterization of a Pair of Enantiomers Binding to Acetylcholinesterase.
Angew.Chem.Int.Ed.Engl., 51, 2012
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2HA6
 | | Crystal structure of mutant S203A of mouse acetylcholinesterase complexed with succinylcholine | | 分子名称: | 2,2'-[(1,4-DIOXOBUTANE-1,4-DIYL)BIS(OXY)]BIS(N,N,N-TRIMETHYLETHANAMINIUM), ACETIC ACID, Acetylcholinesterase, ... | | 著者 | Bourne, Y, Radic, Z, Sulzenbacher, G, Kim, E, Taylor, P, Marchot, P. | | 登録日 | 2006-06-12 | | 公開日 | 2006-07-18 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Substrate and product trafficking through the active center gorge of acetylcholinesterase analyzed by crystallography and equilibrium binding
J.Biol.Chem., 281, 2006
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2HA3
 | | Crystal structure of mouse acetylcholinesterase complexed with choline | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, CHOLINE ION, ... | | 著者 | Bourne, Y, Radic, Z, Sulzenbacher, G, Kim, E, Taylor, P, Marchot, P. | | 登録日 | 2006-06-12 | | 公開日 | 2006-07-18 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Substrate and product trafficking through the active center gorge of acetylcholinesterase analyzed by crystallography and equilibrium binding
J.Biol.Chem., 281, 2006
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7R02
 | | Mus musculus acetylcholinesterase in complex with N-(3-(diethylamino)propyl)-4-methyl-3-nitrobenzamide | | 分子名称: | 1,2-ETHANEDIOL, 2-(2-METHOXYETHOXY)ETHANOL, 2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol, ... | | 著者 | Forsgren, N, Lindgren, C, Edvinsson, L, Linusson, A, Ekstrom, F. | | 登録日 | 2022-02-01 | | 公開日 | 2022-04-27 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Broad-Spectrum Antidote Discovery by Untangling the Reactivation Mechanism of Nerve-Agent-Inhibited Acetylcholinesterase.
Chemistry, 28, 2022
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7R2F
 | | Structure of tabun inhibited acetylcholinesterase in complex with 2-((hydroxyimino)methyl)-1-(5-(4-methyl-3-nitrobenzamido)pentyl)pyridinium | | 分子名称: | 2,5,8,11,14,17,20,23-OCTAOXAPENTACOSAN-25-OL, 2-(2-METHOXYETHOXY)ETHANOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Forsgren, N, Lindgren, C, Edvinsson, L, Linusson, A, Ekstrom, F. | | 登録日 | 2022-02-04 | | 公開日 | 2022-04-27 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Broad-Spectrum Antidote Discovery by Untangling the Reactivation Mechanism of Nerve-Agent-Inhibited Acetylcholinesterase.
Chemistry, 28, 2022
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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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4B7Z
 | | Mus musculus Acetylcholinesterase in complex with N-(2-Diethylamino-ethyl)-1-(4-methylphenyl)-methanesulfonamide | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Andersson, C.D, Forsgren, N, Akfur, C, Allgardsson, A, Berg, L, Qian, W, Ekstrom, F, Linusson, A. | | 登録日 | 2012-08-24 | | 公開日 | 2013-09-04 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Divergent Structure-Activity Relationships of Structurally Similar Acetylcholinesterase Inhibitors.
J.Med.Chem., 56, 2013
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1J06
 | | Crystal structure of mouse acetylcholinesterase in the apo form | | 分子名称: | 2-(2-ETHOXYETHOXY)ETHANOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CARBONATE ION, ... | | 著者 | Bourne, Y, Taylor, P, Radic, Z, Marchot, P. | | 登録日 | 2002-11-07 | | 公開日 | 2003-02-04 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Structural insights into ligand interactions at the acetylcholinesterase peripheral anionic site
EMBO J., 22, 2003
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1J07
 | | Crystal structure of the mouse acetylcholinesterase-decidium complex | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3,8-DIAMINO-5,10'-(TRIMETHYLAMMONIUM)DECYL-6-PHENYL PHENANTHRIDINIUM, CARBONATE ION, ... | | 著者 | Bourne, Y, Taylor, P, Radic, Z, Marchot, P. | | 登録日 | 2002-11-07 | | 公開日 | 2003-02-04 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Structural insights into ligand interactions at the acetylcholinesterase peripheral anionic site
EMBO J., 22, 2003
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5OV9
 | | Crystal structure of Acetylcholinesterase in complex with Crystal Violet | | 分子名称: | 1,2-ETHANEDIOL, 2-(2-ETHOXYETHOXY)ETHANOL, 2-(2-METHOXYETHOXY)ETHANOL, ... | | 著者 | Allgardsson, A, Andersson, C.D, Akfur, C, Worek, F, Linusson, A, Ekstrom, F. | | 登録日 | 2017-08-28 | | 公開日 | 2017-09-06 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | An Unusual Dimeric Inhibitor of Acetylcholinesterase: Cooperative Binding of Crystal Violet.
Molecules, 22, 2017
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2H9Y
 | | Crystal structure of mouse acetylcholinesterase complexed with m-(N,N,N-trimethylammonio)trifluoroacetophenone | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, HEXAETHYLENE GLYCOL, ... | | 著者 | Bourne, Y, Radic, Z, Sulzenbacher, G, Kim, E, Taylor, P, Marchot, P. | | 登録日 | 2006-06-12 | | 公開日 | 2006-07-18 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Substrate and product trafficking through the active center gorge of acetylcholinesterase analyzed by crystallography and equilibrium binding
J.Biol.Chem., 281, 2006
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2GYW
 | | Crystal Structure of Mus musculus Acetylcholinesterase in Complex with Obidoxime | | 分子名称: | 1,1'-(OXYDIMETHYLENE)BIS(4-FORMYLPYRIDINIUM)DIOXIME, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, ... | | 著者 | Pang, Y.P, Boman, M, Artursson, E, Akfur, C, Lundberg, S. | | 登録日 | 2006-05-10 | | 公開日 | 2006-08-15 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Crystal structures of acetylcholinesterase in complex with HI-6, Ortho-7 and obidoxime: Structural basis for differences in the ability to reactivate tabun conjugates.
Biochem.Pharm., 72, 2006
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