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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:2023-12-20
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
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:2023-12-20
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
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:2023-12-20
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
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
8DT4
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BU of 8dt4 by Molmil
X-ray structure of human acetylcholinesterase ternary complex with paraoxon and oxime MMB4 (POX-hAChE-MMB4)
Descriptor: 1,1'-methylenebis{4-[(E)-(hydroxyimino)methyl]pyridin-1-ium}, Acetylcholinesterase, DIETHYL PHOSPHONATE, ...
Authors:Kovalevsky, A.Y, Gerlits, O, Radic, Z.
Deposit date:2022-07-25
Release date:2022-11-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural and dynamic effects of paraoxon binding to human acetylcholinesterase by X-ray crystallography and inelastic neutron scattering.
Structure, 30, 2022
8DT7
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BU of 8dt7 by Molmil
X-ray structure of human acetylcholinesterase in complex with oxime MMB4 (hAChE-MMB4)
Descriptor: 1,1'-methylenebis{4-[(E)-(hydroxyimino)methyl]pyridin-1-ium}, Acetylcholinesterase, GLYCEROL, ...
Authors:Kovalevsky, A.Y, Gerlits, O, Radic, Z.
Deposit date:2022-07-25
Release date:2022-11-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.207 Å)
Cite:Structural and dynamic effects of paraoxon binding to human acetylcholinesterase by X-ray crystallography and inelastic neutron scattering.
Structure, 30, 2022
8DT2
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BU of 8dt2 by Molmil
X-ray structure of human acetylcholinesterase inhibited by paraoxon (POX-hAChE)
Descriptor: Acetylcholinesterase, DIETHYL PHOSPHONATE, DIMETHYL SULFOXIDE, ...
Authors:Kovalevsky, A.Y, Gerlits, O, Radic, Z.
Deposit date:2022-07-25
Release date:2022-11-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.803 Å)
Cite:Structural and dynamic effects of paraoxon binding to human acetylcholinesterase by X-ray crystallography and inelastic neutron scattering.
Structure, 30, 2022
8DT5
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BU of 8dt5 by Molmil
X-ray structure of human acetylcholinesterase ternary complex with paraoxon and oxime RS170B (POX-hAChE-RS170B)
Descriptor: 4-carbamoyl-1-(3-{2-[(E)-(hydroxyimino)methyl]-1H-imidazol-1-yl}propyl)pyridin-1-ium, Acetylcholinesterase, DIETHYL PHOSPHONATE, ...
Authors:Kovalevsky, A.Y, Gerlits, O, Radic, Z.
Deposit date:2022-07-25
Release date:2022-11-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural and dynamic effects of paraoxon binding to human acetylcholinesterase by X-ray crystallography and inelastic neutron scattering.
Structure, 30, 2022
7RB6
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BU of 7rb6 by Molmil
Low temperature structure of hAChE in complex with substrate analog 4K-TMA
Descriptor: 4,4-DIHYDROXY-N,N,N-TRIMETHYLPENTAN-1-AMINIUM, Acetylcholinesterase, GLYCEROL, ...
Authors:Kovalevsky, A, Gerlits, O, Radic, Z.
Deposit date:2021-07-05
Release date:2021-09-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Room temperature crystallography of human acetylcholinesterase bound to a substrate analogue 4K-TMA: Towards a neutron structure
Curr Res Struct Biol, 3, 2021
7RB7
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BU of 7rb7 by Molmil
Room temperature structure of hAChE in complex with substrate analog 4K-TMA and MMB4 oxime
Descriptor: 1,1'-methylenebis{4-[(E)-(hydroxyimino)methyl]pyridin-1-ium}, 4,4-DIHYDROXY-N,N,N-TRIMETHYLPENTAN-1-AMINIUM, Acetylcholinesterase
Authors:Kovalevsky, A, Gerlits, O, Radic, Z.
Deposit date:2021-07-05
Release date:2021-09-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Room temperature crystallography of human acetylcholinesterase bound to a substrate analogue 4K-TMA: Towards a neutron structure
Curr Res Struct Biol, 3, 2021
7RB5
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BU of 7rb5 by Molmil
Room temperature structure of hAChE in complex with substrate analog 4K-TMA
Descriptor: 4,4-DIHYDROXY-N,N,N-TRIMETHYLPENTAN-1-AMINIUM, Acetylcholinesterase
Authors:Kovalevsky, A, Gerlits, O, Radic, Z.
Deposit date:2021-07-05
Release date:2021-09-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Room temperature crystallography of human acetylcholinesterase bound to a substrate analogue 4K-TMA: Towards a neutron structure
Curr Res Struct Biol, 3, 2021
4QAC
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BU of 4qac by Molmil
X-RAY STRUCTURE OF ACETYLCHOLINE BINDING PROTEIN (ACHBP) IN COMPLEX WITH 4-(4-methylpiperidin-1-yl)-6-(4-(trifluoromethyl)phenyl)pyrimidin-2-amine
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(4-methylpiperidin-1-yl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine, Acetylcholine-binding protein, ...
Authors:Kaczanowska, K, Harel, M, Radic, Z, Changeux, J.-P, Finn, M.G, Taylor, P.
Deposit date:2014-05-03
Release date:2014-07-16
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis for cooperative interactions of substituted 2-aminopyrimidines with the acetylcholine binding protein.
Proc.Natl.Acad.Sci.USA, 111, 2014
4QAA
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BU of 4qaa by Molmil
X-RAY STRUCTURE OF ACETYLCHOLINE BINDING PROTEIN (ACHBP) IN COMPLEX WITH 6-(4-Methoxyphenyl)-N4-octylpyrimidine-2,4-diamine
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-(4-methoxyphenyl)-N~4~-octylpyrimidine-2,4-diamine, Acetylcholine-binding protein, ...
Authors:Kaczanowska, K, Harel, M, Radic, Z, Changeux, J.-P, Finn, M.G, Taylor, P.
Deposit date:2014-05-03
Release date:2014-07-16
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural basis for cooperative interactions of substituted 2-aminopyrimidines with the acetylcholine binding protein.
Proc.Natl.Acad.Sci.USA, 111, 2014
4QAB
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BU of 4qab by Molmil
X-RAY STRUCTURE of ACETYLCHOLINE BINDING PROTEIN (ACHBP) IN COMPLEX WITH 4-(MORPHOLIN-4-YL)-6-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN-2-AMINE
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(morpholin-4-yl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine, Acetylcholine-binding protein, ...
Authors:Kaczanowska, K, Harel, M, Radic, Z, Changeux, J.-P, Finn, M.G, Taylor, P.
Deposit date:2014-05-03
Release date:2014-07-16
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.984 Å)
Cite:Structural basis for cooperative interactions of substituted 2-aminopyrimidines with the acetylcholine binding protein.
Proc.Natl.Acad.Sci.USA, 111, 2014
6U34
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BU of 6u34 by Molmil
Binary complex of native hAChE with oxime reactivator RS194B
Descriptor: (2E)-N-[2-(azepan-1-yl)ethyl]-2-(hydroxyimino)acetamide, Acetylcholinesterase, GLYCEROL, ...
Authors:Kovalevsky, A, Gerlits, O, Radic, Z.
Deposit date:2019-08-21
Release date:2020-02-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Rational design, synthesis, and evaluation of uncharged, "smart" bis-oxime antidotes of organophosphate-inhibited human acetylcholinesterase.
J.Biol.Chem., 295, 2020
6U37
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BU of 6u37 by Molmil
Structure of VX-phosphonylated hAChE in complex with oxime reactivator RS194B
Descriptor: (2E)-N-[2-(azepan-1-yl)ethyl]-2-(hydroxyimino)acetamide, Acetylcholinesterase, GLYCEROL, ...
Authors:Kovalevsky, A, Gerlits, O, Radic, Z.
Deposit date:2019-08-21
Release date:2020-02-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Rational design, synthesis, and evaluation of uncharged, "smart" bis-oxime antidotes of organophosphate-inhibited human acetylcholinesterase.
J.Biol.Chem., 295, 2020
6U3P
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BU of 6u3p by Molmil
Binary complex of native hAChE with oxime reactivator LG-703
Descriptor: (2E,2'E)-N,N'-[1,4-diazepane-1,4-diyldi(ethane-2,1-diyl)]bis[2-(hydroxyimino)acetamide], Acetylcholinesterase, DIMETHYL SULFOXIDE
Authors:Kovalevsky, A, Gerlits, O, Radic, Z.
Deposit date:2019-08-22
Release date:2020-02-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3 Å)
Cite:Rational design, synthesis, and evaluation of uncharged, "smart" bis-oxime antidotes of organophosphate-inhibited human acetylcholinesterase.
J.Biol.Chem., 295, 2020
1J07
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BU of 1j07 by Molmil
Crystal structure of the mouse acetylcholinesterase-decidium complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3,8-DIAMINO-5,10'-(TRIMETHYLAMMONIUM)DECYL-6-PHENYL PHENANTHRIDINIUM, CARBONATE ION, ...
Authors:Bourne, Y, Taylor, P, Radic, Z, Marchot, P.
Deposit date:2002-11-07
Release date:2003-02-04
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structural insights into ligand interactions at the acetylcholinesterase peripheral anionic site
EMBO J., 22, 2003
1J06
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BU of 1j06 by Molmil
Crystal structure of mouse acetylcholinesterase in the apo form
Descriptor: 2-(2-ETHOXYETHOXY)ETHANOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CARBONATE ION, ...
Authors:Bourne, Y, Taylor, P, Radic, Z, Marchot, P.
Deposit date:2002-11-07
Release date:2003-02-04
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structural insights into ligand interactions at the acetylcholinesterase peripheral anionic site
EMBO J., 22, 2003
3PEO
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BU of 3peo by Molmil
Crystal structure of acetylcholine binding protein complexed with metocurine
Descriptor: 6,6',7',12'-tetramethoxy-2,2,2',2'-tetramethyltubocuraran-2,2'-diium, Soluble acetylcholine receptor
Authors:Talley, T.T, Harel, M, Yamauchi, G.J, Radic, Z, Hansen, S, Huxford, T, Taylor, P.W.
Deposit date:2010-10-27
Release date:2011-10-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The curare alkaloids: analyzing the poses of complexes with the acetylcholine binding protein in relation to structure and binding energetics
To be Published
3PMZ
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BU of 3pmz by Molmil
Crystal Structure of the Complex of Acetylcholine Binding Protein and d-tubocurarine
Descriptor: (1beta,1'alpha)-7',12'-dihydroxy-6,6'-dimethoxy-2,2',2'-trimethyltubocuraran-2'-ium, MAGNESIUM ION, Soluble acetylcholine receptor
Authors:Talley, T.T, Harel, M, Yamauchi, J.G, Radic, Z, Hansen, S, Huxford, T, Taylor, P.W.
Deposit date:2010-11-18
Release date:2011-10-05
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:The Curare Alkaloids: Analyzing the Poses of Complexes with the Acetylcholine Binding Protein in Relation to Structure and Binding Energies
To be Published
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: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

 

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