Author results

2C0P
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AGED FORM OF MOUSE ACETYLCHOLINESTERASE INHIBITED BY TABUN
Descriptor:ACETYLCHOLINESTERASE, ETHYL HYDROGEN PHOSPHONATE
Authors:Ekstrom, F., Akfur, C., Tunemalm, A.-K., Lundberg, S.
Deposit date:2005-09-07
Release date:2006-01-09
Last modified:2018-01-17
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural Changes of Phenylalanine 338 and Histidine 447 Revealed by the Crystal Structures of Tabun-Inhibited Murine Acetylcholinesterase.
Biochemistry, 45, 2006
2C0Q
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NON-AGED FORM OF MOUSE ACETYLCHOLINESTERASE INHIBITED BY TABUN
Descriptor:ACETYLCHOLINESTERASE, R-ETHYL N,N-DIMETHYLPHOSPHONAMIDATE, HEXAETHYLENE GLYCOL
Authors:Ekstrom, F., Akfur, C., Tunemalm, A.-K., Lundberg, S.
Deposit date:2005-09-07
Release date:2006-01-09
Last modified:2018-01-17
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural Changes of Phenylalanine 338 and Histidine 447 Revealed by the Crystal Structures of Tabun-Inhibited Murine Acetylcholinesterase.
Biochemistry, 45, 2006
2WHP
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CRYSTAL STRUCTURE OF ACETYLCHOLINESTERASE, PHOSPHONYLATED BY SARIN AND IN COMPLEX WITH HI-6
Descriptor:ACETYLCHOLINESTERASE, N-ACETYL-D-GLUCOSAMINE, 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]PYRIDINIUM, ...
Authors:Ekstrom, F., Hornberg, A., Artursson, E., Hammarstrom, L.G., Schneider, G., Pang, Y.P.
Deposit date:2009-05-06
Release date:2009-06-30
Last modified:2018-01-17
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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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CRYSTAL STRUCTURE OF ACETYLCHOLINESTERASE, PHOSPHONYLATED BY SARIN (AGED) IN COMPLEX WITH HI-6
Descriptor:ACETYLCHOLINESTERASE, N-ACETYL-D-GLUCOSAMINE, 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]PYRIDINIUM, ...
Authors:Ekstrom, F., Hornberg, A., Artursson, E., Hammarstrom, L.G., Schneider, G., Pang, Y.P.
Deposit date:2009-05-06
Release date:2009-06-30
Last modified:2018-01-17
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structure of Hi-6Sarin-Acetylcholinesterase Determined by X-Ray Crystallography and Molecular Dynamics Simulation: Reactivator Mechanism and Design.
Plos One, 4, 2009
2WHR
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CRYSTAL STRUCTURE OF ACETYLCHOLINESTERASE IN COMPLEX WITH K027
Descriptor:ACETYLCHOLINESTERASE, 4-carbamoyl-1-(3-{4-[(E)-(hydroxyimino)methyl]pyridinium-1-yl}propyl)pyridinium, N-ACETYL-D-GLUCOSAMINE, ...
Authors:Ekstrom, F., Hornberg, A., Artursson, E., Hammarstrom, L.-G., Schneider, G., Pang, Y.-P.
Deposit date:2009-05-06
Release date:2009-05-26
Last modified:2018-01-17
Method:X-RAY DIFFRACTION (2.545 Å)
Cite:Structure of Hi-6Sarin-Acetylcholinesterase Determined by X-Ray Crystallography and Molecular Dynamics Simulation: Reactivator Mechanism and Design.
Plos One, 4, 2009
4ARA
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MUS MUSCULUS ACETYLCHOLINESTERASE IN COMPLEX WITH (R)-C5685 AT 2.5 A RESOLUTION.
Descriptor:ACETYLCHOLINESTERASE, 4-(DIMETHYLAMINO)-N-{[(2R)-1-ETHYLPYRROLIDIN-2-YL]METHYL}-2-METHOXY-5-NITROBENZAMIDE, DI(HYDROXYETHYL)ETHER, ...
Authors:Berg, L., Niemiec, M.S., Qian, W., Andersson, C.D., WittungStafshede, P., Ekstrom, F., Linusson, A.
Deposit date:2012-04-23
Release date:2012-11-28
Last modified:2018-02-28
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Similar But Different: Thermodynamic and Structural Characterization of a Pair of Enantiomers Binding to Acetylcholinesterase.
Angew.Chem.Int.Ed.Engl., 51, 2012
4ARB
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MUS MUSCULUS ACETYLCHOLINESTERASE IN COMPLEX WITH (S)-C5685 AT 2.25 A RESOLUTION.
Descriptor:ACETYLCHOLINESTERASE, 4-(DIMETHYLAMINO)-N-{[(2S)-1-ETHYLPYRROLIDIN-2-YL]METHYL}-2-METHOXY-5-NITROBENZAMIDE, DI(HYDROXYETHYL)ETHER, ...
Authors:Berg, L., Niemiec, M.S., Qian, W., Andersson, C.D., WittungStafshede, P., Ekstrom, F., Linusson, A.
Deposit date:2012-04-23
Release date:2012-11-28
Last modified:2018-02-28
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Similar But Different: Thermodynamic and Structural Characterization of a Pair of Enantiomers Binding to Acetylcholinesterase.
Angew.Chem.Int.Ed.Engl., 51, 2012
3DL4
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NON-AGED FORM OF MOUSE ACETYLCHOLINESTERASE INHIBITED BY TABUN- UPDATE
Descriptor:Acetylcholinesterase, HEXAETHYLENE GLYCOL
Authors:Carletti, E., Li, H., Li, B., Ekstrom, F., Nicolet, Y., Loiodice, M., Gillon, E., Froment, M.T., Lockridge, O., Schopfer, L.M., Masson, P., Nachon, F.
Deposit date:2008-06-26
Release date:2008-12-02
Last modified:2018-03-07
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Aging of Cholinesterases Phosphylated by Tabun Proceeds through O-Dealkylation.
J.Am.Chem.Soc., 130, 2008
3DL7
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AGED FORM OF MOUSE ACETYLCHOLINESTERASE INHIBITED BY TABUN- UPDATE
Descriptor:Acetylcholinesterase, N-ACETYL-D-GLUCOSAMINE, CHLORIDE ION, ...
Authors:Carletti, E., Li, H., Li, B., Ekstrom, F., Nicolet, Y., Loiodice, M., Gillon, E., Froment, M.T., Lockridge, O., Schopfer, L.M., Masson, P., Nachon, F.
Deposit date:2008-06-26
Release date:2008-12-02
Last modified:2018-03-07
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Aging of Cholinesterases Phosphylated by Tabun Proceeds through O-Dealkylation.
J.Am.Chem.Soc., 130, 2008
5OV9
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CRYSTAL STRUCTURE OF ACETYLCHOLINESTERASE IN COMPLEX WITH CRYSTAL VIOLET
Descriptor:Acetylcholinesterase, N-ACETYL-D-GLUCOSAMINE, 2-(2-METHOXYETHOXY)ETHANOL, ...
Authors:Allgardsson, A., Andersson, C.D., Akfur, C., Worek, F., Linusson, A., Ekstrom, F.
Deposit date:2017-08-28
Release date:2017-09-06
Last modified:2017-09-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:An Unusual Dimeric Inhibitor of Acetylcholinesterase: Cooperative Binding of Crystal Violet.
Molecules, 22, 2017
2JGE
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CRYSTAL STRUCTURE OF MOUSE ACETYLCHOLINESTERASE INHIBITED BY NON-AGED METHAMIDOPHOS
Descriptor:ACETYLCHOLINESTERASE, TRIETHYLENE GLYCOL, HEXAETHYLENE GLYCOL
Authors:Hornberg, A., Tunemalm, A.-K., Ekstrom, F.
Deposit date:2007-02-13
Release date:2007-04-17
Last modified:2018-01-17
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal Structures of Acetylcholinesterase in Complex with Organophosphorus Compounds Suggest that the Acyl Pocket Modulates the Aging Reaction by Precluding the Formation of the Trigonal Bipyramidal Transition State.
Biochemistry, 46, 2007
2JGF
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CRYSTAL STRUCTURE OF MOUSE ACETYLCHOLINESTERASE INHIBITED BY NON-AGED FENAMIPHOS
Descriptor:ACETYLCHOLINESTERASE, N-ACETYL-D-GLUCOSAMINE, HEXAETHYLENE GLYCOL, ...
Authors:Hornberg, A., Tunemalm, A.-K., Ekstrom, F.
Deposit date:2007-02-13
Release date:2007-04-17
Last modified:2019-05-15
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal Structures of Acetylcholinesterase in Complex with Organophosphorus Compounds Suggest that the Acyl Pocket Modulates the Aging Reaction by Precluding the Formation of the Trigonal Bipyramidal Transition State.
Biochemistry, 46, 2007
2JGI
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CRYSTAL STRUCTURE OF MOUSE ACETYLCHOLINESTERASE INHIBITED BY NON-AGED DIISOPROPYL FLUOROPHOSPHATE (DFP)
Descriptor:ACETYLCHOLINESTERASE, N-ACETYL-D-GLUCOSAMINE, 2-(2-ETHOXYETHOXY)ETHANOL
Authors:Hornberg, A., Tunemalm, A.-K., Ekstrom, F.
Deposit date:2007-02-13
Release date:2007-04-17
Last modified:2018-01-17
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal Structures of Acetylcholinesterase in Complex with Organophosphorus Compounds Suggest that the Acyl Pocket Modulates the Aging Reaction by Precluding the Formation of the Trigonal Bipyramidal Transition State.
Biochemistry, 46, 2007
2JGJ
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CRYSTAL STRUCTURE OF MOUSE ACETYLCHOLINESTERASE INHIBITED BY AGED METHAMIDOPHOS
Descriptor:ACETYLCHOLINESTERASE, N-ACETYL-D-GLUCOSAMINE, 2-(2-ETHOXYETHOXY)ETHANOL, ...
Authors:Hornberg, A., Tunemalm, A.-K., Ekstrom, F.
Deposit date:2007-02-13
Release date:2007-04-17
Last modified:2018-01-17
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal Structures of Acetylcholinesterase in Complex with Organophosphorus Compounds Suggest that the Acyl Pocket Modulates the Aging Reaction by Precluding the Formation of the Trigonal Bipyramidal Transition State.
Biochemistry, 46, 2007
2JGK
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CRYSTAL STRUCTURE OF MOUSE ACETYLCHOLINESTERASE INHIBITED BY AGED FENAMIPHOS
Descriptor:ACETYLCHOLINESTERASE, N-ACETYL-D-GLUCOSAMINE, HEXAETHYLENE GLYCOL
Authors:Hornberg, A., Tunemalm, A.-K., Ekstrom, F.
Deposit date:2007-02-13
Release date:2007-04-17
Last modified:2018-01-17
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal Structures of Acetylcholinesterase in Complex with Organophosphorus Compounds Suggest that the Acyl Pocket Modulates the Aging Reaction by Precluding the Formation of the Trigonal Bipyramidal Transition State.
Biochemistry, 46, 2007
2JGL
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CRYSTAL STRUCTURE OF MOUSE ACETYLCHOLINESTERASE INHIBITED BY AGED VX AND SARIN
Descriptor:ACETYLCHOLINESTERASE, N-ACETYL-D-GLUCOSAMINE, TRIETHYLENE GLYCOL, ...
Authors:Hornberg, A., Tunemalm, A.-K., Ekstrom, F.
Deposit date:2007-02-13
Release date:2007-04-17
Last modified:2018-01-17
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal Structures of Acetylcholinesterase in Complex with Organophosphorus Compounds Suggest that the Acyl Pocket Modulates the Aging Reaction by Precluding the Formation of the Trigonal Bipyramidal Transition State.
Biochemistry, 46, 2007
2JGM
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CRYSTAL STRUCTURE OF MOUSE ACETYLCHOLINESTERASE INHIBITED BY AGED DIISOPROPYL FLUOROPHOSPHATE (DFP)
Descriptor:ACETYLCHOLINESTERASE, N-ACETYL-D-GLUCOSAMINE
Authors:Hornberg, A., Tunemalm, A.-K., Ekstrom, F.
Deposit date:2007-02-13
Release date:2007-04-17
Last modified:2018-01-17
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal Structures of Acetylcholinesterase in Complex with Organophosphorus Compounds Suggest that the Acyl Pocket Modulates the Aging Reaction by Precluding the Formation of the Trigonal Bipyramidal Transition State.
Biochemistry, 46, 2007
2WLS
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CRYSTAL STRUCTURE OF MUS MUSCULUS ACETYLCHOLINESTERASE IN COMPLEX WITH AMTS13
Descriptor:ACETYLCHOLINESTERASE, N-ACETYL-D-GLUCOSAMINE, N,N,N-trimethyl-13-[(methylsulfonyl)sulfanyl]tridecan-1-aminium, ...
Authors: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.
Deposit date:2009-06-25
Release date:2009-09-08
Last modified:2018-01-17
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Selective and Irreversible Inhibitors of Mosquito Acetylcholinesterases for Controlling Malaria and Other Mosquito-Borne Diseases.
Plos One, 4, 2009
2WU3
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CRYSTAL STRUCTURE OF MOUSE ACETYLCHOLINESTERASE IN COMPLEX WITH FENAMIPHOS AND HI-6
Descriptor:ACETYLCHOLINESTERASE, 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]PYRIDINIUM, N-ACETYL-D-GLUCOSAMINE, ...
Authors:Hornberg, A., Artursson, E., Warme, R., Pang, Y.-P., Ekstrom, F.
Deposit date:2009-09-28
Release date:2009-10-20
Last modified:2019-05-15
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal Structures of Oxime-Bound Fenamiphos-Acetylcholinesterases: Reactivation Involving Flipping of the His447 Ring to Form a Reactive Glu334-His447-Oxime Triad.
Biochem.Pharm., 79, 2010
2WU4
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CRYSTAL STRUCTURE OF MOUSE ACETYLCHOLINESTERASE IN COMPLEX WITH FENAMIPHOS AND ORTHO-7
Descriptor:ACETYLCHOLINESTERASE, N-ACETYL-D-GLUCOSAMINE, 1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME, ...
Authors:Hornberg, A., Artursson, E., Warme, R., Pang, Y.-P., Ekstrom, F.
Deposit date:2009-09-28
Release date:2009-10-20
Last modified:2019-05-15
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal Structures of Oxime-Bound Fenamiphos-Acetylcholinesterases: Reactivation Involving Flipping of the His447 Ring to Form a Reactive Glu334-His447-Oxime Triad.
Biochem.Pharm., 79, 2010
2Y2U
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NONAGED FORM OF MOUSE ACETYLCHOLINESTERASE INHIBITED BY VX-UPDATE
Descriptor:ACETYLCHOLINESTERASE, N-ACETYL-D-GLUCOSAMINE, DI(HYDROXYETHYL)ETHER, ...
Authors:Akfur, C., Artursson, E., Ekstrom, F.
Deposit date:2010-12-16
Release date:2011-11-30
Last modified:2018-01-17
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Methylphosphonate Adducts of Acetylcholinesterase Investigated by Time Correlated Single Photon Counting and X-Ray Crystallography
To be Published
2Y2V
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NONAGED FORM OF MOUSE ACETYLCHOLINESTERASE INHIBITED BY SARIN-UPDATE
Descriptor:ACETYLCHOLINESTERASE, N-ACETYL-D-GLUCOSAMINE, DI(HYDROXYETHYL)ETHER, ...
Authors:Akfur, C., Artursson, E., Ekstrom, F.
Deposit date:2010-12-16
Release date:2011-11-30
Last modified:2018-01-17
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Methylphosphonate Adducts of Acetylcholinesterase Investigated by Time Correlated Single Photon Counting and X-Ray Crystallography
To be Published
3ZLT
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CRYSTAL STRUCTURE OF ACETYLCHOLINESTERASE IN COMPLEX WITH RVX
Descriptor:ACETYLCHOLINESTERASE, N-ACETYL-D-GLUCOSAMINE, 2-(2-METHOXYETHOXY)ETHANOL, ...
Authors:Artursson, E., Andersson, P.O., Akfur, C., Linusson, A., Borjegren, S., Ekstrom, F.
Deposit date:2013-02-04
Release date:2013-03-27
Last modified:2018-01-17
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Catalytic-Site Conformational Equilibrium in Nerve-Agent Adducts of Acetylcholinesterase; Possible Implications for the Hi-6 Antidote Substrate Specificity.
Biochem.Pharmacol., 85, 2013
3ZLU
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CRYSTAL STRUCTURE OF MOUSE ACETYLCHOLINESTERASE IN COMPLEX WITH CYCLOSARIN
Descriptor:ACETYLCHOLINESTERASE, (2-hydroxyethoxy)acetaldehyde, 2,5,8,11,14,17-HEXAOXANONADECAN-19-OL
Authors:Artursson, E., Andersson, P.O., Akfur, C., Linusson, A., Borjegren, S., Ekstrom, F.
Deposit date:2013-02-04
Release date:2013-03-27
Last modified:2018-01-17
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Catalytic-Site Conformational Equilibrium in Nerve-Agent Adducts of Acetylcholinesterase; Possible Implications for the Hi-6 Antidote Substrate Specificity.
Biochem.Pharmacol., 85, 2013
3ZLV
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CRYSTAL STRUCTURE OF MOUSE ACETYLCHOLINESTERASE IN COMPLEX WITH TABUN AND HI-6
Descriptor:ACETYLCHOLINESTERASE, 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]PYRIDINIUM, CARBONATE ION, ...
Authors:Artursson, E., Andersson, P.O., Akfur, C., Linusson, A., Borjegren, S., Ekstrom, F.
Deposit date:2013-02-04
Release date:2013-03-27
Last modified:2018-01-17
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Catalytic-Site Conformational Equilibrium in Nerve-Agent Adducts of Acetylcholinesterase; Possible Implications for the Hi-6 Antidote Substrate Specificity.
Biochem.Pharmacol., 85, 2013
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