4B81
| Mus musculus Acetylcholinesterase in complex with 1-(4-Chloro-phenyl)- N-(2-diethylamino-ethyl)-methanesulfonamide | 分子名称: | 1-(4-chlorophenyl)-N-[2-(diethylamino)ethyl]methanesulfonamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 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 (2.8 Å) | 主引用文献 | Divergent Structure-Activity Relationships of Structurally Similar Acetylcholinesterase Inhibitors. J.Med.Chem., 56, 2013
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4B84
| Mus musculus Acetylcholinesterase in complex with N-(2-Diethylamino- ethyl)-3-trifluoromethyl-benzenesulfonamide | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3,6,9,12,15-PENTAOXAHEPTADECANE, 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 (2.6 Å) | 主引用文献 | Divergent Structure-Activity Relationships of Structurally Similar Acetylcholinesterase Inhibitors. J.Med.Chem., 56, 2013
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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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2BAG
| 3D Structure of Torpedo californica acetylcholinesterase complexed with Ganstigmine | 分子名称: | 1S,3AS,8AS-TRIMETHYL-1-OXIDO-1,2,3,3A,8,8A-HEXAHYDROPYRROLO[2,3-B]INDOL-5-YL 2-ETHYLPHENYLCARBAMATE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Lamba, D, Bartolucci, C, Siotto, M, Racchi, M, Villetti, G, Delcanale, M. | 登録日 | 2005-10-14 | 公開日 | 2006-08-29 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Structural Determinants of Torpedo californica Acetylcholinesterase Inhibition by the Novel and Orally Active Carbamate Based Anti-Alzheimer Drug Ganstigmine (CHF-2819) J.Med.Chem., 49, 2006
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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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1KU6
| Fasciculin 2-Mouse Acetylcholinesterase Complex | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, ... | 著者 | Bourne, Y, Burmeister, W, Taylor, P, Marchot, P. | 登録日 | 2002-01-21 | 公開日 | 2003-12-23 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.5 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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5HF5
| Crystal structure of human acetylcholinesterase in complex with paraoxon in the unaged state (predominant acyl loop conformation) | 分子名称: | 1,2-ETHANEDIOL, 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 | Franklin, M.F, Rudolph, M.J, Ginter, C, Cassidy, M.S, Cheung, J. | 登録日 | 2016-01-06 | 公開日 | 2016-07-27 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.152 Å) | 主引用文献 | Structures of paraoxon-inhibited human acetylcholinesterase reveal perturbations of the acyl loop and the dimer interface. Proteins, 84, 2016
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5HF6
| Crystal structure of human acetylcholinesterase in complex with paraoxon in the aged state | 分子名称: | 1,2-ETHANEDIOL, 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 | Franklin, M.F, Rudolph, M.J, Ginter, C, Cassidy, M.S, Cheung, J. | 登録日 | 2016-01-06 | 公開日 | 2016-06-22 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structures of paraoxon-inhibited human acetylcholinesterase reveal perturbations of the acyl loop and the dimer interface. Proteins, 84, 2016
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5HF9
| Crystal structure of human acetylcholinesterase in complex with paraoxon and HI6 | 分子名称: | 1,2-ETHANEDIOL, 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 | Franklin, M.F, Rudolph, M.J, Ginter, C, Cassidy, M.S, Cheung, J. | 登録日 | 2016-01-06 | 公開日 | 2016-06-22 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Structures of paraoxon-inhibited human acetylcholinesterase reveal perturbations of the acyl loop and the dimer interface. Proteins, 84, 2016
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5HFA
| Crystal structure of human acetylcholinesterase in complex with paraoxon and 2-PAM | 分子名称: | 1,2-ETHANEDIOL, 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 | Franklin, M.F, Rudolph, M.J, Ginter, C, Cassidy, M.S, Cheung, J. | 登録日 | 2016-01-06 | 公開日 | 2016-06-22 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.201 Å) | 主引用文献 | Structures of paraoxon-inhibited human acetylcholinesterase reveal perturbations of the acyl loop and the dimer interface. Proteins, 84, 2016
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5HF8
| Crystal structure of human acetylcholinesterase in complex with paraoxon (alternative acyl loop conformation) | 分子名称: | 1,2-ETHANEDIOL, 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 | Franklin, M.F, Rudolph, M.J, Ginter, C, Cassidy, M.S, Cheung, J. | 登録日 | 2016-01-06 | 公開日 | 2016-06-22 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Structures of paraoxon-inhibited human acetylcholinesterase reveal perturbations of the acyl loop and the dimer interface. Proteins, 84, 2016
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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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6ARY
| Crystal structure of an insecticide-resistant acetylcholinesterase mutant from the malaria vector Anopheles gambiae in complex with a difluoromethyl ketone inhibitor | 分子名称: | (1S)-2,2-difluoro-1-[1-(pentan-3-yl)-1H-pyrazol-4-yl]ethan-1-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, ... | 著者 | Cheung, J, Mahmood, A, Kalathur, R, Lixuan, L, Carlier, P.R. | 登録日 | 2017-08-23 | 公開日 | 2018-01-10 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.257 Å) | 主引用文献 | Structure of the G119S Mutant Acetylcholinesterase of the Malaria Vector Anopheles gambiae Reveals Basis of Insecticide Resistance. Structure, 26, 2018
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6ARX
| Crystal structure of an insecticide-resistant acetylcholinesterase mutant from the malaria vector Anopheles gambiae in the ligand-free state | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, CHLORIDE ION, ... | 著者 | Cheung, J, Mahmood, A, Kalathur, R, Lixuan, L, Carlier, P.R. | 登録日 | 2017-08-23 | 公開日 | 2018-01-10 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.302 Å) | 主引用文献 | Structure of the G119S Mutant Acetylcholinesterase of the Malaria Vector Anopheles gambiae Reveals Basis of Insecticide Resistance. Structure, 26, 2018
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7D9O
| Crystal Structure of Recombinant Human Acetylcholinesterase in Complex with Compound 2 | 分子名称: | (2R)-2-[[4-fluoranyl-1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase | 著者 | Liu, Q.F, Yin, W.C. | 登録日 | 2020-10-14 | 公開日 | 2021-08-25 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | Kinetics-Driven Drug Design Strategy for Next-Generation Acetylcholinesterase Inhibitors to Clinical Candidate. J.Med.Chem., 64, 2021
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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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7D9P
| Crystal Structure of Recombinant Human Acetylcholinesterase in Complex with Compound 12 | 分子名称: | (2S)-2-[[4-fluoranyl-1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase | 著者 | Liu, Q.F, Yin, W.C. | 登録日 | 2020-10-14 | 公開日 | 2021-08-25 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | 主引用文献 | Kinetics-Driven Drug Design Strategy for Next-Generation Acetylcholinesterase Inhibitors to Clinical Candidate. J.Med.Chem., 64, 2021
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7D9Q
| Crystal Structure of Recombinant Human Acetylcholinesterase in Complex with Compound 7 | 分子名称: | (2S)-2-[[4-fluoranyl-1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase | 著者 | Liu, Q.F, Yin, W.C. | 登録日 | 2020-10-14 | 公開日 | 2021-08-25 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.66 Å) | 主引用文献 | Kinetics-Driven Drug Design Strategy for Next-Generation Acetylcholinesterase Inhibitors to Clinical Candidate. J.Med.Chem., 64, 2021
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2DFP
| X-RAY STRUCTURE OF AGED DI-ISOPROPYL-PHOSPHORO-FLUORIDATE (DFP) BOUND TO ACETYLCHOLINESTERASE | 分子名称: | 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, ... | 著者 | Kryger, G, Millard, C.B, Silman, I, Sussman, J.L. | 登録日 | 1998-12-07 | 公開日 | 1999-06-28 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2.3 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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1B41
| HUMAN ACETYLCHOLINESTERASE COMPLEXED WITH FASCICULIN-II, GLYCOSYLATED PROTEIN | 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, ACETYLCHOLINESTERASE, ... | 著者 | Kryger, G, Harel, M, Shafferman, A, Silman, I, Sussman, J.L. | 登録日 | 1999-01-05 | 公開日 | 2001-01-17 | 最終更新日 | 2023-08-09 | 実験手法 | X-RAY DIFFRACTION (2.76 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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2XI4
| Torpedo californica Acetylcholinesterase in Complex with Aflatoxin B1 (Orthorhombic Space Group) | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, AFLATOXIN B1, ... | 著者 | Sanson, B, Colletier, J.P, Xu, Y, Lang, P.T, Jiang, H, Silman, I, Sussman, J.L, Weik, M. | 登録日 | 2010-06-28 | 公開日 | 2011-03-23 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Backdoor Opening Mechanism in Acetylcholinesterase Based on X-Ray Crystallography and Molecular Dynamics Simulations. Protein Sci., 20, 2011
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6CQU
| Crystal Structure of Recombinant Human Acetylcholinesterase with Reactivator HI-6 | 分子名称: | 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, 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 | Bester, S.M, Guelta, M.A, Pegan, S.D, Height, J.J. | 登録日 | 2018-03-16 | 公開日 | 2018-12-05 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.308 Å) | 主引用文献 | Structural Insights of Stereospecific Inhibition of Human Acetylcholinesterase by VX and Subsequent Reactivation by HI-6. Chem. Res. Toxicol., 31, 2018
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6CQX
| Crystal Structure of Recombinant Human Acetylcholinesterase Inhibited by VX(+) | 分子名称: | 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, 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 | Bester, S.M, Guelta, M.A, Pegan, S.D, Height, J.J. | 登録日 | 2018-03-16 | 公開日 | 2018-12-05 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Structural Insights of Stereospecific Inhibition of Human Acetylcholinesterase by VX and Subsequent Reactivation by HI-6. Chem. Res. Toxicol., 31, 2018
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6CQY
| Crystal Structure of Recombinant Human Acetylcholinesterase in Complex with EMPA and HI-6 | 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, 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]PYRIDINIUM, ... | 著者 | Bester, S.M, Guelta, M.A, Pegan, S.D, Height, J.J. | 登録日 | 2018-03-16 | 公開日 | 2018-12-05 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.449 Å) | 主引用文献 | Structural Insights of Stereospecific Inhibition of Human Acetylcholinesterase by VX and Subsequent Reactivation by HI-6. Chem. Res. Toxicol., 31, 2018
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6CQV
| Crystal Structure of Recombinant Human Acetylcholinesterase in Complex with VX(+) and HI-6 | 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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Bester, S.M, Guelta, M.A, Pegan, S.D, Height, J.J. | 登録日 | 2018-03-16 | 公開日 | 2018-12-05 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.601 Å) | 主引用文献 | Structural Insights of Stereospecific Inhibition of Human Acetylcholinesterase by VX and Subsequent Reactivation by HI-6. Chem. Res. Toxicol., 31, 2018
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