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PDB: 49 results
6O66
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BU of 6o66 by Molmil
Structure of VX-phosphonylated hAChE in complex with oxime reactivator RS-170B
Descriptor: 4-carbamoyl-1-(3-{2-[(E)-(hydroxyimino)methyl]-1H-imidazol-1-yl}propyl)pyridin-1-ium, Acetylcholinesterase, GLYCEROL
Authors:Gerlits, O, Kovalevsky, A, Radic, Z.
Deposit date:2019-03-05
Release date:2019-05-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.452 Å)
Cite:Productive reorientation of a bound oxime reactivator revealed in room temperature X-ray structures of native and VX-inhibited human acetylcholinesterase.
J.Biol.Chem., 294, 2019
6O4W
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BU of 6o4w by Molmil
Binary complex of native hAChE with Donepezil
Descriptor: 1-BENZYL-4-[(5,6-DIMETHOXY-1-INDANON-2-YL)METHYL]PIPERIDINE, Acetylcholinesterase, GLYCEROL, ...
Authors:Gerlits, O, Kovalevsky, A, Radic, Z.
Deposit date:2019-03-01
Release date:2019-06-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:A new crystal form of human acetylcholinesterase for exploratory room-temperature crystallography studies.
Chem.Biol.Interact., 309, 2019
6O52
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BU of 6o52 by Molmil
Room temperature structure of binary complex of native hAChE with BW284c51
Descriptor: 4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}-3-OXOPENTYL)-N,N-DIMETHYL-N-PROP-2-ENYLBENZENAMINIUM, Acetylcholinesterase
Authors:Gerlits, O, Kovalevsky, A, Radic, Z.
Deposit date:2019-03-01
Release date:2019-06-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:A new crystal form of human acetylcholinesterase for exploratory room-temperature crystallography studies.
Chem.Biol.Interact., 309, 2019
6O5R
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BU of 6o5r by Molmil
Room temperature structure of binary complex of native hAChE with oxime reactivator RS-170B
Descriptor: 4-carbamoyl-1-(3-{2-[(E)-(hydroxyimino)methyl]-1H-imidazol-1-yl}propyl)pyridin-1-ium, Acetylcholinesterase, CHLORIDE ION
Authors:Gerlits, O, Kovalevsky, A, Radic, Z.
Deposit date:2019-03-04
Release date:2019-05-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Productive reorientation of a bound oxime reactivator revealed in room temperature X-ray structures of native and VX-inhibited human acetylcholinesterase.
J.Biol.Chem., 294, 2019
2WZY
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BU of 2wzy by Molmil
Crystal structure of A-AChBP in complex with 13-desmethyl spirolide C
Descriptor: 13-DESMETHYL SPIROLIDE C, SOLUBLE ACETYLCHOLINE RECEPTOR
Authors:Bourne, Y, Radic, Z, Araoz, R, Talley, T.T, Benoit, E, Servent, D, Taylor, P, Molgo, J, Marchot, P.
Deposit date:2009-12-03
Release date:2010-03-02
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Structural Determinants in Phycotoxins and Achbp Conferring High Affinity Binding and Nicotinic Achr Antagonism.
Proc.Natl.Acad.Sci.USA, 107, 2010
2XUK
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BU of 2xuk by Molmil
CRYSTAL STRUCTURE OF MACHE-Y337A-TZ2PA6 SYN COMPLEX (10 MTH)
Descriptor: 3,8-DIAMINO-6-PHENYL-5-[6-[1-[2-[(1,2,3,4-TETRAHYDRO-9-ACRIDINYL)AMINO]ETHYL]-1H-1,2,3-TRIAZOL-5-YL]HEXYL]-PHENANTHRIDINIUM, ACETYLCHOLINESTERASE
Authors:Bourne, Y, Radic, Z, Taylor, P, Marchot, P.
Deposit date:2010-10-19
Release date:2010-12-08
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Conformational Remodeling of Femtomolar Inhibitor-Acetylcholinesterase Complexes in the Crystalline State
J.Am.Chem.Soc., 132, 2010
2XUG
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BU of 2xug by Molmil
Crystal structure of mAChE-Y337A-TZ2PA6 anti complex (1 wk)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3,8-DIAMINO-6-PHENYL-5-[6-[1-[2-[(1,2,3,4-TETRAHYDRO-9-ACRIDINYL)AMINO]ETHYL]-1H-1,2,3-TRIAZOL-4-YL]HEXYL]-PHENANTHRIDINIUM, ACETYLCHOLINESTERASE, ...
Authors:Bourne, Y, Radic, Z, Taylor, P, Marchot, P.
Deposit date:2010-10-19
Release date:2010-12-08
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Conformational Remodeling of Femtomolar Inhibitor-Acetylcholinesterase Complexes in the Crystalline State
J.Am.Chem.Soc., 132, 2010
2XUI
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BU of 2xui by Molmil
CRYSTAL STRUCTURE OF MACHE-Y337A-TZ2PA6 SYN COMPLEX (1 WK)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3,8-DIAMINO-6-PHENYL-5-[6-[1-[2-[(1,2,3,4-TETRAHYDRO-9-ACRIDINYL)AMINO]ETHYL]-1H-1,2,3-TRIAZOL-5-YL]HEXYL]-PHENANTHRIDINIUM, ACETYLCHOLINESTERASE, ...
Authors:Bourne, Y, Radic, Z, Taylor, P, Marchot, P.
Deposit date:2010-10-19
Release date:2010-12-08
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Conformational Remodeling of Femtomolar Inhibitor-Acetylcholinesterase Complexes in the Crystalline State
J.Am.Chem.Soc., 132, 2010
2X00
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BU of 2x00 by Molmil
CRYSTAL STRUCTURE OF A-ACHBP IN COMPLEX WITH GYMNODIMINE A
Descriptor: GYMNODIMINE A, SOLUBLE ACETYLCHOLINE RECEPTOR
Authors:Bourne, Y, Radic, Z, Araoz, R, Talley, T.T, Benoit, E, Servent, D, Taylor, P, Molgo, J, Marchot, P.
Deposit date:2009-12-04
Release date:2010-03-02
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural Determinants in Phycotoxins and Achbp Conferring High Affinity Binding and Nicotinic Achr Antagonism.
Proc.Natl.Acad.Sci.USA, 107, 2010
2XUF
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BU of 2xuf by Molmil
CRYSTAL STRUCTURE OF MACHE-Y337A-TZ2PA6 ANTI COMPLEX (1 MTH)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3,8-DIAMINO-6-PHENYL-5-[6-[1-[2-[(1,2,3,4-TETRAHYDRO-9-ACRIDINYL)AMINO]ETHYL]-1H-1,2,3-TRIAZOL-4-YL]HEXYL]-PHENANTHRIDINIUM, ACETYLCHOLINESTERASE, ...
Authors:Bourne, Y, Radic, Z, Taylor, P, Marchot, P.
Deposit date:2010-10-19
Release date:2010-12-08
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Conformational Remodeling of Femtomolar Inhibitor-Acetylcholinesterase Complexes in the Crystalline State
J.Am.Chem.Soc., 132, 2010
2XUJ
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BU of 2xuj by Molmil
CRYSTAL STRUCTURE OF MACHE-Y337A-TZ2PA6 SYN COMPLEX (1 MTH)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3,8-DIAMINO-6-PHENYL-5-[6-[1-[2-[(1,2,3,4-TETRAHYDRO-9-ACRIDINYL)AMINO]ETHYL]-1H-1,2,3-TRIAZOL-5-YL]HEXYL]-PHENANTHRIDINIUM, ACETYLCHOLINESTERASE, ...
Authors:Bourne, Y, Radic, Z, Taylor, P, Marchot, P.
Deposit date:2010-10-19
Release date:2010-12-08
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Conformational Remodeling of Femtomolar Inhibitor-Acetylcholinesterase Complexes in the Crystalline State
J.Am.Chem.Soc., 132, 2010
2XUP
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BU of 2xup by Molmil
CRYSTAL STRUCTURE OF the MACHE-Y337A mutant in complex with soaked TZ2PA6 SYN inhibitor
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3,8-DIAMINO-6-PHENYL-5-[6-[1-[2-[(1,2,3,4-TETRAHYDRO-9-ACRIDINYL)AMINO]ETHYL]-1H-1,2,3-TRIAZOL-5-YL]HEXYL]-PHENANTHRIDINIUM, ACETYLCHOLINESTERASE, ...
Authors:Bourne, Y, Radic, Z, Taylor, P, Marchot, P.
Deposit date:2010-10-19
Release date:2010-12-08
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Conformational Remodeling of Femtomolar Inhibitor-Acetylcholinesterase Complexes in the Crystalline State
J.Am.Chem.Soc., 132, 2010
2XUH
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BU of 2xuh by Molmil
CRYSTAL STRUCTURE OF MACHE-Y337A-TZ2PA6 ANTI COMPLEX (10 MTH)
Descriptor: 3,8-DIAMINO-6-PHENYL-5-[6-[1-[2-[(1,2,3,4-TETRAHYDRO-9-ACRIDINYL)AMINO]ETHYL]-1H-1,2,3-TRIAZOL-4-YL]HEXYL]-PHENANTHRIDINIUM, ACETYLCHOLINESTERASE
Authors:Bourne, Y, Radic, Z, Taylor, P, Marchot, P.
Deposit date:2010-10-19
Release date:2010-12-08
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Conformational Remodeling of Femtomolar Inhibitor-Acetylcholinesterase Complexes in the Crystalline State
J.Am.Chem.Soc., 132, 2010
2XUO
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BU of 2xuo by Molmil
CRYSTAL STRUCTURE OF MACHE-Y337A mutant in complex with soaked TZ2PA6 ANTI inhibitor
Descriptor: 3,8-DIAMINO-6-PHENYL-5-[6-[1-[2-[(1,2,3,4-TETRAHYDRO-9-ACRIDINYL)AMINO]ETHYL]-1H-1,2,3-TRIAZOL-4-YL]HEXYL]-PHENANTHRIDINIUM, ACETYLCHOLINESTERASE, HEXAETHYLENE GLYCOL
Authors:Bourne, Y, Radic, Z, Taylor, P, Marchot, P.
Deposit date:2010-10-19
Release date:2010-12-08
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Conformational Remodeling of Femtomolar Inhibitor-Acetylcholinesterase Complexes in the Crystalline State
J.Am.Chem.Soc., 132, 2010
2XUQ
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BU of 2xuq by Molmil
CRYSTAL STRUCTURE OF the MACHE-Y337A mutant in complex with soaked TZ2PA6 ANTI-SYN inhibitors
Descriptor: 3,8-DIAMINO-6-PHENYL-5-[6-[1-[2-[(1,2,3,4-TETRAHYDRO-9-ACRIDINYL)AMINO]ETHYL]-1H-1,2,3-TRIAZOL-4-YL]HEXYL]-PHENANTHRIDINIUM, ACETYLCHOLINESTERASE, HEXAETHYLENE GLYCOL
Authors:Bourne, Y, Radic, Z, Taylor, P, Marchot, P.
Deposit date:2010-10-20
Release date:2010-12-08
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Conformational Remodeling of Femtomolar Inhibitor-Acetylcholinesterase Complexes in the Crystalline State
J.Am.Chem.Soc., 132, 2010
2XUD
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BU of 2xud by Molmil
Crystal structure of the Y337A mutant of mouse acetylcholinesterase
Descriptor: ACETATE ION, ACETYLCHOLINESTERASE, DECAMETHONIUM ION, ...
Authors:Bourne, Y, Radic, Z, Taylor, P, Marchot, P.
Deposit date:2010-10-19
Release date:2010-12-08
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Conformational Remodeling of Femtomolar Inhibitor-Acetylcholinesterase Complexes in the Crystalline State
J.Am.Chem.Soc., 132, 2010
2HA4
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BU of 2ha4 by Molmil
Crystal structure of mutant S203A of mouse acetylcholinesterase complexed with acetylcholine
Descriptor: ACETATE ION, ACETYLCHOLINE, Acetylcholinesterase, ...
Authors:Bourne, Y, Radic, Z, Sulzenbacher, G, Kim, E, Taylor, P, Marchot, P.
Deposit date:2006-06-12
Release date:2006-07-18
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:Substrate and product trafficking through the active center gorge of acetylcholinesterase analyzed by crystallography and equilibrium binding
J.Biol.Chem., 281, 2006
2HA7
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BU of 2ha7 by Molmil
Crystal structure of mutant S203A of mouse acetylcholinesterase complexed with butyrylthiocholine
Descriptor: 2-(BUTYRYLSULFANYL)-N,N,N-TRIMETHYLETHANAMINIUM, 2-(TRIMETHYLAMMONIUM)ETHYL THIOL, Acetylcholinesterase, ...
Authors:Bourne, Y, Radic, Z, Sulzenbacher, G, Kim, E, Taylor, P, Marchot, P.
Deposit date:2006-06-12
Release date:2006-07-18
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.66 Å)
Cite:Substrate and product trafficking through the active center gorge of acetylcholinesterase analyzed by crystallography and equilibrium binding
J.Biol.Chem., 281, 2006
2HA6
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BU of 2ha6 by Molmil
Crystal structure of mutant S203A of mouse acetylcholinesterase complexed with succinylcholine
Descriptor: 2,2'-[(1,4-DIOXOBUTANE-1,4-DIYL)BIS(OXY)]BIS(N,N,N-TRIMETHYLETHANAMINIUM), ACETIC ACID, Acetylcholinesterase, ...
Authors:Bourne, Y, Radic, Z, Sulzenbacher, G, Kim, E, Taylor, P, Marchot, P.
Deposit date:2006-06-12
Release date:2006-07-18
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Substrate and product trafficking through the active center gorge of acetylcholinesterase analyzed by crystallography and equilibrium binding
J.Biol.Chem., 281, 2006
2H9Y
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BU of 2h9y by Molmil
Crystal structure of mouse acetylcholinesterase complexed with m-(N,N,N-trimethylammonio)trifluoroacetophenone
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, HEXAETHYLENE GLYCOL, ...
Authors:Bourne, Y, Radic, Z, Sulzenbacher, G, Kim, E, Taylor, P, Marchot, P.
Deposit date:2006-06-12
Release date:2006-07-18
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Substrate and product trafficking through the active center gorge of acetylcholinesterase analyzed by crystallography and equilibrium binding
J.Biol.Chem., 281, 2006
2HA5
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BU of 2ha5 by Molmil
Crystal structure of mutant S203A of acetylcholinesterase complexed with acetylthiocholine
Descriptor: 2-(TRIMETHYLAMMONIUM)ETHYL THIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ...
Authors:Bourne, Y, Radic, Z, Sulzenbacher, G, Kim, E, Taylor, P, Marchot, P.
Deposit date:2006-06-12
Release date:2006-07-18
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Substrate and product trafficking through the active center gorge of acetylcholinesterase analyzed by crystallography and equilibrium binding
J.Biol.Chem., 281, 2006
2HA2
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BU of 2ha2 by Molmil
Crystal structure of mouse acetylcholinesterase complexed with succinylcholine
Descriptor: 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, ...
Authors:Bourne, Y, Radic, Z, Sulzenbacher, G, Kim, E, Taylor, P, Marchot, P.
Deposit date:2006-06-12
Release date:2006-07-18
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Substrate and product trafficking through the active center gorge of acetylcholinesterase analyzed by crystallography and equilibrium binding
J.Biol.Chem., 281, 2006
2HA3
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BU of 2ha3 by Molmil
Crystal structure of mouse acetylcholinesterase complexed with choline
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, CHOLINE ION, ...
Authors:Bourne, Y, Radic, Z, Sulzenbacher, G, Kim, E, Taylor, P, Marchot, P.
Deposit date:2006-06-12
Release date:2006-07-18
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Substrate and product trafficking through the active center gorge of acetylcholinesterase analyzed by crystallography and equilibrium binding
J.Biol.Chem., 281, 2006
2HA0
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BU of 2ha0 by Molmil
Crystal structure of mouse acetylcholinesterase complexed with 4-ketoamyltrimethylammonium
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4,4-DIHYDROXY-N,N,N-TRIMETHYLPENTAN-1-AMINIUM, Acetylcholinesterase, ...
Authors:Bourne, Y, Radic, Z, Sulzenbacher, G, Kim, E, Taylor, P, Marchot, P.
Deposit date:2006-06-12
Release date:2006-07-18
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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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