7RB7
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![BU of 7rb7 by Molmil](/molmil-images/mine/7rb7) | Room temperature structure of hAChE in complex with substrate analog 4K-TMA and MMB4 oxime | 分子名称: | 1,1'-methylenebis{4-[(E)-(hydroxyimino)methyl]pyridin-1-ium}, 4,4-DIHYDROXY-N,N,N-TRIMETHYLPENTAN-1-AMINIUM, Acetylcholinesterase | 著者 | Kovalevsky, A, Gerlits, O, Radic, Z. | 登録日 | 2021-07-05 | 公開日 | 2021-09-22 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Room temperature crystallography of human acetylcholinesterase bound to a substrate analogue 4K-TMA: Towards a neutron structure Curr Res Struct Biol, 3, 2021
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7RB6
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![BU of 7rb6 by Molmil](/molmil-images/mine/7rb6) | Low temperature structure of hAChE in complex with substrate analog 4K-TMA | 分子名称: | 4,4-DIHYDROXY-N,N,N-TRIMETHYLPENTAN-1-AMINIUM, Acetylcholinesterase, GLYCEROL, ... | 著者 | Kovalevsky, A, Gerlits, O, Radic, Z. | 登録日 | 2021-07-05 | 公開日 | 2021-09-22 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Room temperature crystallography of human acetylcholinesterase bound to a substrate analogue 4K-TMA: Towards a neutron structure Curr Res Struct Biol, 3, 2021
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7RB5
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![BU of 7rb5 by Molmil](/molmil-images/mine/7rb5) | Room temperature structure of hAChE in complex with substrate analog 4K-TMA | 分子名称: | 4,4-DIHYDROXY-N,N,N-TRIMETHYLPENTAN-1-AMINIUM, Acetylcholinesterase | 著者 | Kovalevsky, A, Gerlits, O, Radic, Z. | 登録日 | 2021-07-05 | 公開日 | 2021-09-22 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Room temperature crystallography of human acetylcholinesterase bound to a substrate analogue 4K-TMA: Towards a neutron structure Curr Res Struct Biol, 3, 2021
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6U34
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![BU of 6u34 by Molmil](/molmil-images/mine/6u34) | Binary complex of native hAChE with oxime reactivator RS194B | 分子名称: | (2E)-N-[2-(azepan-1-yl)ethyl]-2-(hydroxyimino)acetamide, Acetylcholinesterase, GLYCEROL, ... | 著者 | Kovalevsky, A, Gerlits, O, Radic, Z. | 登録日 | 2019-08-21 | 公開日 | 2020-02-12 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Rational design, synthesis, and evaluation of uncharged, "smart" bis-oxime antidotes of organophosphate-inhibited human acetylcholinesterase. J.Biol.Chem., 295, 2020
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6U37
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![BU of 6u37 by Molmil](/molmil-images/mine/6u37) | Structure of VX-phosphonylated hAChE in complex with oxime reactivator RS194B | 分子名称: | (2E)-N-[2-(azepan-1-yl)ethyl]-2-(hydroxyimino)acetamide, Acetylcholinesterase, GLYCEROL, ... | 著者 | Kovalevsky, A, Gerlits, O, Radic, Z. | 登録日 | 2019-08-21 | 公開日 | 2020-02-12 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Rational design, synthesis, and evaluation of uncharged, "smart" bis-oxime antidotes of organophosphate-inhibited human acetylcholinesterase. J.Biol.Chem., 295, 2020
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6U3P
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![BU of 6u3p by Molmil](/molmil-images/mine/6u3p) | Binary complex of native hAChE with oxime reactivator LG-703 | 分子名称: | (2E,2'E)-N,N'-[1,4-diazepane-1,4-diyldi(ethane-2,1-diyl)]bis[2-(hydroxyimino)acetamide], Acetylcholinesterase, DIMETHYL SULFOXIDE | 著者 | Kovalevsky, A, Gerlits, O, Radic, Z. | 登録日 | 2019-08-22 | 公開日 | 2020-02-12 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Rational design, synthesis, and evaluation of uncharged, "smart" bis-oxime antidotes of organophosphate-inhibited human acetylcholinesterase. J.Biol.Chem., 295, 2020
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6O50
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![BU of 6o50 by Molmil](/molmil-images/mine/6o50) | Binary complex of native hAChE with BW284c51 | 分子名称: | 4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}-3-OXOPENTYL)-N,N-DIMETHYL-N-PROP-2-ENYLBENZENAMINIUM, Acetylcholinesterase, GLYCEROL, ... | 著者 | Gerlits, O, Kovalevsky, A, Radic, Z. | 登録日 | 2019-03-01 | 公開日 | 2019-06-19 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.352 Å) | 主引用文献 | A new crystal form of human acetylcholinesterase for exploratory room-temperature crystallography studies. Chem.Biol.Interact., 309, 2019
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6O4X
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![BU of 6o4x by Molmil](/molmil-images/mine/6o4x) | Binary complex of native hAChE with 9-aminoacridine | 分子名称: | 9-AMINOACRIDINE, Acetylcholinesterase, GLYCEROL, ... | 著者 | Gerlits, O, Kovalevsky, A, Radic, Z. | 登録日 | 2019-03-01 | 公開日 | 2019-06-19 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | A new crystal form of human acetylcholinesterase for exploratory room-temperature crystallography studies. Chem.Biol.Interact., 309, 2019
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6O5S
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![BU of 6o5s by Molmil](/molmil-images/mine/6o5s) | |
4QAC
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![BU of 4qac by Molmil](/molmil-images/mine/4qac) | X-RAY STRUCTURE OF ACETYLCHOLINE BINDING PROTEIN (ACHBP) IN COMPLEX WITH 4-(4-methylpiperidin-1-yl)-6-(4-(trifluoromethyl)phenyl)pyrimidin-2-amine | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(4-methylpiperidin-1-yl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine, Acetylcholine-binding protein, ... | 著者 | Kaczanowska, K, Harel, M, Radic, Z, Changeux, J.-P, Finn, M.G, Taylor, P. | 登録日 | 2014-05-03 | 公開日 | 2014-07-16 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structural basis for cooperative interactions of substituted 2-aminopyrimidines with the acetylcholine binding protein. Proc.Natl.Acad.Sci.USA, 111, 2014
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4QAA
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![BU of 4qaa by Molmil](/molmil-images/mine/4qaa) | X-RAY STRUCTURE OF ACETYLCHOLINE BINDING PROTEIN (ACHBP) IN COMPLEX WITH 6-(4-Methoxyphenyl)-N4-octylpyrimidine-2,4-diamine | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-(4-methoxyphenyl)-N~4~-octylpyrimidine-2,4-diamine, Acetylcholine-binding protein, ... | 著者 | Kaczanowska, K, Harel, M, Radic, Z, Changeux, J.-P, Finn, M.G, Taylor, P. | 登録日 | 2014-05-03 | 公開日 | 2014-07-16 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Structural basis for cooperative interactions of substituted 2-aminopyrimidines with the acetylcholine binding protein. Proc.Natl.Acad.Sci.USA, 111, 2014
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1J06
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![BU of 1j06 by Molmil](/molmil-images/mine/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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4QAB
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![BU of 4qab by Molmil](/molmil-images/mine/4qab) | X-RAY STRUCTURE of ACETYLCHOLINE BINDING PROTEIN (ACHBP) IN COMPLEX WITH 4-(MORPHOLIN-4-YL)-6-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN-2-AMINE | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(morpholin-4-yl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine, Acetylcholine-binding protein, ... | 著者 | Kaczanowska, K, Harel, M, Radic, Z, Changeux, J.-P, Finn, M.G, Taylor, P. | 登録日 | 2014-05-03 | 公開日 | 2014-07-16 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.984 Å) | 主引用文献 | Structural basis for cooperative interactions of substituted 2-aminopyrimidines with the acetylcholine binding protein. Proc.Natl.Acad.Sci.USA, 111, 2014
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1J07
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![BU of 1j07 by Molmil](/molmil-images/mine/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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3PMZ
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![BU of 3pmz by Molmil](/molmil-images/mine/3pmz) | Crystal Structure of the Complex of Acetylcholine Binding Protein and d-tubocurarine | 分子名称: | (1beta,1'alpha)-7',12'-dihydroxy-6,6'-dimethoxy-2,2',2'-trimethyltubocuraran-2'-ium, MAGNESIUM ION, Soluble acetylcholine receptor | 著者 | Talley, T.T, Harel, M, Yamauchi, J.G, Radic, Z, Hansen, S, Huxford, T, Taylor, P.W. | 登録日 | 2010-11-18 | 公開日 | 2011-10-05 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.44 Å) | 主引用文献 | The Curare Alkaloids: Analyzing the Poses of Complexes with the Acetylcholine Binding Protein in Relation to Structure and Binding Energies To be Published
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3PEO
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![BU of 3peo by Molmil](/molmil-images/mine/3peo) | Crystal structure of acetylcholine binding protein complexed with metocurine | 分子名称: | 6,6',7',12'-tetramethoxy-2,2,2',2'-tetramethyltubocuraran-2,2'-diium, Soluble acetylcholine receptor | 著者 | Talley, T.T, Harel, M, Yamauchi, G.J, Radic, Z, Hansen, S, Huxford, T, Taylor, P.W. | 登録日 | 2010-10-27 | 公開日 | 2011-10-12 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | The curare alkaloids: analyzing the poses of complexes with the acetylcholine binding protein in relation to structure and binding energetics To be Published
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6O66
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![BU of 6o66 by Molmil](/molmil-images/mine/6o66) | |
6O5V
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![BU of 6o5v by Molmil](/molmil-images/mine/6o5v) | Binary complex of native hAChE with oxime reactivator RS-170B | 分子名称: | 4-carbamoyl-1-(3-{2-[(E)-(hydroxyimino)methyl]-1H-imidazol-1-yl}propyl)pyridin-1-ium, Acetylcholinesterase, GLYCEROL, ... | 著者 | Gerlits, O, Kovalevsky, A, Radic, Z. | 登録日 | 2019-03-04 | 公開日 | 2019-05-29 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.152 Å) | 主引用文献 | 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
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6O4W
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![BU of 6o4w by Molmil](/molmil-images/mine/6o4w) | Binary complex of native hAChE with Donepezil | 分子名称: | 1-BENZYL-4-[(5,6-DIMETHOXY-1-INDANON-2-YL)METHYL]PIPERIDINE, Acetylcholinesterase, GLYCEROL, ... | 著者 | Gerlits, O, Kovalevsky, A, Radic, Z. | 登録日 | 2019-03-01 | 公開日 | 2019-06-19 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | A new crystal form of human acetylcholinesterase for exploratory room-temperature crystallography studies. Chem.Biol.Interact., 309, 2019
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6O52
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![BU of 6o52 by Molmil](/molmil-images/mine/6o52) | |
6O5R
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![BU of 6o5r by Molmil](/molmil-images/mine/6o5r) | |
8DT4
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![BU of 8dt4 by Molmil](/molmil-images/mine/8dt4) | X-ray structure of human acetylcholinesterase ternary complex with paraoxon and oxime MMB4 (POX-hAChE-MMB4) | 分子名称: | 1,1'-methylenebis{4-[(E)-(hydroxyimino)methyl]pyridin-1-ium}, Acetylcholinesterase, DIETHYL PHOSPHONATE, ... | 著者 | Kovalevsky, A.Y, Gerlits, O, Radic, Z. | 登録日 | 2022-07-25 | 公開日 | 2022-11-02 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Structural and dynamic effects of paraoxon binding to human acetylcholinesterase by X-ray crystallography and inelastic neutron scattering. Structure, 30, 2022
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8DT2
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![BU of 8dt2 by Molmil](/molmil-images/mine/8dt2) | X-ray structure of human acetylcholinesterase inhibited by paraoxon (POX-hAChE) | 分子名称: | Acetylcholinesterase, DIETHYL PHOSPHONATE, DIMETHYL SULFOXIDE, ... | 著者 | Kovalevsky, A.Y, Gerlits, O, Radic, Z. | 登録日 | 2022-07-25 | 公開日 | 2022-11-02 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.803 Å) | 主引用文献 | Structural and dynamic effects of paraoxon binding to human acetylcholinesterase by X-ray crystallography and inelastic neutron scattering. Structure, 30, 2022
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8DT7
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![BU of 8dt7 by Molmil](/molmil-images/mine/8dt7) | X-ray structure of human acetylcholinesterase in complex with oxime MMB4 (hAChE-MMB4) | 分子名称: | 1,1'-methylenebis{4-[(E)-(hydroxyimino)methyl]pyridin-1-ium}, Acetylcholinesterase, GLYCEROL, ... | 著者 | Kovalevsky, A.Y, Gerlits, O, Radic, Z. | 登録日 | 2022-07-25 | 公開日 | 2022-11-02 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.207 Å) | 主引用文献 | Structural and dynamic effects of paraoxon binding to human acetylcholinesterase by X-ray crystallography and inelastic neutron scattering. Structure, 30, 2022
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8DT5
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![BU of 8dt5 by Molmil](/molmil-images/mine/8dt5) | X-ray structure of human acetylcholinesterase ternary complex with paraoxon and oxime RS170B (POX-hAChE-RS170B) | 分子名称: | 4-carbamoyl-1-(3-{2-[(E)-(hydroxyimino)methyl]-1H-imidazol-1-yl}propyl)pyridin-1-ium, Acetylcholinesterase, DIETHYL PHOSPHONATE, ... | 著者 | Kovalevsky, A.Y, Gerlits, O, Radic, Z. | 登録日 | 2022-07-25 | 公開日 | 2022-11-02 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Structural and dynamic effects of paraoxon binding to human acetylcholinesterase by X-ray crystallography and inelastic neutron scattering. Structure, 30, 2022
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