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2WLS
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BU of 2wls by Molmil
Crystal structure of Mus musculus Acetylcholinesterase in complex with AMTS13
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, DI(HYDROXYETHYL)ETHER, ...
著者Pang, Y.P, Ekstrom, F, Polsinelli, G.A, Gao, Y, Rana, S, Hua, D.H, Andersson, B, Andersson, P.O, Peng, L, Singh, S.K, Mishra, R.K, Zhu, K.Y, Fallon, A.M, Ragsdale, D.W, Brimijoin, S.
登録日2009-06-25
公開日2009-09-08
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Selective and Irreversible Inhibitors of Mosquito Acetylcholinesterases for Controlling Malaria and Other Mosquito-Borne Diseases.
Plos One, 4, 2009
2GYW
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BU of 2gyw by Molmil
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
2GYU
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BU of 2gyu by Molmil
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
2GYV
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Crystal structure of Mus musculus Acetylcholinesterase in complex with Ortho-7
分子名称: 1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME, 2-acetamido-2-deoxy-beta-D-glucopyranose, 3,6,9,12,15-PENTAOXAHEPTADECANE, ...
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 (2.5 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
1H23
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BU of 1h23 by Molmil
Structure of acetylcholinesterase (E.C. 3.1.1.7) complexed with (S,S)-(-)-bis(12)-hupyridone at 2.15A resolution
分子名称: (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
著者Wong, D.M, Greenblatt, H.M, Carlier, P.R, Han, Y.F, Pang, Y.P, Silman, I, Sussman, J.L.
登録日2002-07-30
公開日2002-12-23
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Acetylcholinesterase Complexed with Bivalent Ligands Related to Huperzine A: Experimental Evidence for Species-Dependent Protein-Ligand Complementarity
J.Am.Chem.Soc., 125, 2003
1ZGB
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Crystal Structure of Torpedo Californica Acetylcholinesterase in Complex With an (R)-Tacrine(10)-Hupyridone Inhibitor.
分子名称: (5R)-5-{[10-(1,2,3,4-TETRAHYDROACRIDIN-9-YLAMINO)DECYL]AMINO}-5,6,7,8-TETRAHYDROQUINOLIN-2(1H)-ONE, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase
著者Haviv, H, Wong, D.M, Greenblatt, H.M, Carlier, P.R, Pang, Y.P, Silman, I, Sussman, J.L, Israel Structural Proteomics Center (ISPC)
登録日2005-04-21
公開日2005-08-16
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal Packing Mediates Enantioselective Ligand Recognition at the Peripheral Site of Acetylcholinesterase
J.Am.Chem.Soc., 127, 2005
1ZGC
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Crystal Structure of Torpedo Californica Acetylcholinesterase in Complex With an (RS)-Tacrine(10)-Hupyridone Inhibitor.
分子名称: (5S)-5-{[10-(1,2,3,4-TETRAHYDROACRIDIN-9-YLAMINO)DECYL]AMINO}-5,6,7,8-TETRAHYDROQUINOLIN-2(1H)-ONE, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase
著者Haviv, H, Wong, D.M, Greenblatt, H.M, Carlier, P.R, Pang, Y.P, Silman, I, Sussman, J.L, Israel Structural Proteomics Center (ISPC)
登録日2005-04-21
公開日2005-08-16
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal Packing Mediates Enantioselective Ligand Recognition at the Peripheral Site of Acetylcholinesterase
J.Am.Chem.Soc., 127, 2005
2CMF
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BU of 2cmf by Molmil
Torpedo californica acetylcholinesterase complexed with alkylene- linked bis-tacrine dimer (5 carbon linker)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, N,N'-DI-1,2,3,4-TETRAHYDROACRIDIN-9-YLPENTANE-1,5-DIAMINE
著者Rydberg, E.H, Brumshtein, B, Greenblatt, H.M, Wong, D.M, Pang, Y.P, Silman, I, Sussman, J.L.
登録日2006-05-08
公開日2006-09-04
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献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
2CKM
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BU of 2ckm by Molmil
Torpedo californica acetylcholinesterase complexed with alkylene- linked bis-tacrine dimer (7 carbon linker)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, N,N'-DI-1,2,3,4-TETRAHYDROACRIDIN-9-YLHEPTANE-1,7-DIAMINE
著者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.
登録日2006-04-20
公開日2006-09-04
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献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
2WHP
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BU of 2whp by Molmil
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
2WHQ
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BU of 2whq by Molmil
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
1VOT
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BU of 1vot by Molmil
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
2JF0
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BU of 2jf0 by Molmil
Mus musculus acetylcholinesterase in complex with tabun and Ortho-7
分子名称: 1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME, ACETYLCHOLINESTERASE, HEXAETHYLENE GLYCOL
著者Ekstrom, F, Astot, C, Pang, Y.P.
登録日2007-01-25
公開日2007-07-03
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Novel Nerve-Agent Antidote Design Based on Crystallographic and Mass Spectrometric Analyses of Tabun-Conjugated Acetylcholinesterase in Complex with Antidotes.
Clin.Pharmacol.Ther., 82, 2007
2JEY
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Mus musculus acetylcholinesterase in complex with HLo-7
分子名称: 1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM, ACETYLCHOLINESTERASE, HEXAETHYLENE GLYCOL
著者Ekstrom, F, Astot, C, Pang, Y.P.
登録日2007-01-25
公開日2007-07-03
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Novel Nerve-Agent Antidote Design Based on Crystallographic and Mass Spectrometric Analyses of Tabun-Conjugated Acetylcholinesterase in Complex with Antidotes.
Clin.Pharmacol.Ther., 82, 2007
2JEZ
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Mus musculus acetylcholinesterase in complex with tabun and HLo-7
分子名称: 1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM, ACETYLCHOLINESTERASE, HEXAETHYLENE GLYCOL
著者Ekstrom, F, Astot, C, Pang, Y.P.
登録日2007-01-25
公開日2007-07-03
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Novel Nerve-Agent Antidote Design Based on Crystallographic and Mass Spectrometric Analyses of Tabun-Conjugated Acetylcholinesterase in Complex with Antidotes.
Clin.Pharmacol.Ther., 82, 2007

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