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PDB: 114 件
6QAE
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BU of 6qae by Molmil
Human Butyrylcholinesterase in complex with (S)-N2-butyl-N1-(2-cycloheptylethyl)-3-(1H-indol-3-yl)-N1,N2-dimethylpropane-1,2-diamine
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Cholinesterase, ...
著者Brazzolotto, X, Nachon, F, Harst, M, Knez, D, Gobec, S.
登録日2018-12-19
公開日2019-03-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.487 Å)
主引用文献Tryptophan-derived butyrylcholinesterase inhibitors as promising leads against Alzheimer's disease.
Chem.Commun.(Camb.), 55, 2019
6QAA
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BU of 6qaa by Molmil
Human Butyrylcholinesterase in complex with (S)-2-(butylamino)-N-(2-cycloheptylethyl)-3-(1H-indol-3-yl)propanamide
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Brazzolotto, X, Nachon, F, Harst, M, Knez, D, Gobec, S.
登録日2018-12-19
公開日2019-03-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.897 Å)
主引用文献Tryptophan-derived butyrylcholinesterase inhibitors as promising leads against Alzheimer's disease.
Chem.Commun.(Camb.), 55, 2019
6QAB
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BU of 6qab by Molmil
Human Butyrylcholinesterase in complex with (S)-N-(1-((2-cycloheptylethyl)amino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl)-N,N-dimethylbutan-1-aminium
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Brazzolotto, X, Nachon, F, Harst, M, Knez, D, Gobec, S.
登録日2018-12-19
公開日2019-03-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Tryptophan-derived butyrylcholinesterase inhibitors as promising leads against Alzheimer's disease.
Chem.Commun.(Camb.), 55, 2019
3DJY
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BU of 3djy by Molmil
Nonaged Form of Human Butyrylcholinesterase Inhibited by Tabun
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
著者Carletti, E, Nachon, F.
登録日2008-06-24
公開日2008-12-02
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Aging of Cholinesterases Phosphylated by Tabun Proceeds through O-Dealkylation.
J.Am.Chem.Soc., 130, 2008
3DL4
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BU of 3dl4 by Molmil
Non-Aged Form of Mouse Acetylcholinesterase Inhibited by Tabun- Update
分子名称: Acetylcholinesterase, HEXAETHYLENE GLYCOL
著者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.
登録日2008-06-26
公開日2008-12-02
最終更新日2021-03-31
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Aging of Cholinesterases Phosphylated by Tabun Proceeds through O-Dealkylation.
J.Am.Chem.Soc., 130, 2008
6R6V
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BU of 6r6v by Molmil
Structure of recombinant human butyrylcholinesterase in complex with a fluorescent coumarin-based probe
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Cholinesterase, ...
著者Brazzolotto, X, Nachon, F, Knez, D, Gobec, S.
登録日2019-03-28
公開日2020-01-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Development of potent reversible selective inhibitors of butyrylcholinesterase as fluorescent probes.
J Enzyme Inhib Med Chem, 35, 2020
4B0O
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BU of 4b0o by Molmil
Crystal structure of soman-aged human butyrylcholinesterase in complex with benzyl pyridinium-4-methyltrichloroacetimidate
分子名称: 1-BENZYL-4-({[(1E)-2,2,2-TRICHLOROETHANIMIDOYL]OXY}METHYL)PYRIDINIUM, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Wandhammer, M, de Koning, M, van Grol, M, Noort, D, Goeldner, M, Nachon, F.
登録日2012-07-04
公開日2012-08-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献A Step Toward the Reactivation of Aged Cholinesterases -Crystal Structure of Ligands Binding to Aged Human Butyrylcholinesterase
Chem.Biol.Interact, 203, 2013
4BC1
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BU of 4bc1 by Molmil
Structure of mouse acetylcholinesterase inhibited by CBDP (30-min soak): cresyl-saligenin-phosphoserine adduct
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, CHLORIDE ION, ...
著者Carletti, E, Colletier, J.-P, Schopfer, L.M, Santoni, G, Masson, P, Lockridge, O, Nachon, F, Weik, M.
登録日2012-09-30
公開日2013-02-06
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Inhibition Pathways of the Potent Organophosphate Cbdp with Cholinesterases Revealed by X-Ray Crystallographic Snapshots and Mass Spectrometry
Chem.Res.Toxicol., 26, 2013
4BBZ
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BU of 4bbz by Molmil
Structure of human butyrylcholinesterase inhibited by CBDP (2-min soak): Cresyl-phosphoserine adduct
分子名称: (2-methylphenyl) dihydrogen phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Carletti, E, Colletier, J.-P, Schopfer, L.M, Santoni, G, Masson, P, Lockridge, O, Nachon, F, Weik, M.
登録日2012-09-30
公開日2013-02-06
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Inhibition Pathways of the Potent Organophosphate Cbdp with Cholinesterases Revealed by X-Ray Crystallographic Snapshots and Mass Spectrometry
Chem.Res.Toxicol., 26, 2013
4B0P
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BU of 4b0p by Molmil
Crystal structure of soman-aged human butyrylcholinesterase in complex with methyl 2-(pentafluorobenzyloxyimino)pyridinium
分子名称: 1-(1-methylpyridin-1-ium-2-yl)-N-[[2,3,4,5,6-pentakis(fluoranyl)phenyl]methoxy]methanimine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Wandhammer, M, de Koning, M, van Grol, M, Noort, D, Goeldner, M, Nachon, F.
登録日2012-07-04
公開日2012-08-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A Step Toward the Reactivation of Aged Cholinesterases -Crystal Structure of Ligands Binding to Aged Human Butyrylcholinesterase
Chem.Biol.Interact, 203, 2013
4BC0
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BU of 4bc0 by Molmil
Structure of mouse acetylcholinesterase inhibited by CBDP (12-h soak) : Cresyl-phosphoserine adduct
分子名称: (2-methylphenyl) dihydrogen phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, ...
著者Carletti, E, Colletier, J.-P, Schopfer, L.M, Santoni, G, Masson, P, Lockridge, O, Nachon, F, Weik, M.
登録日2012-09-30
公開日2013-02-06
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.35 Å)
主引用文献Inhibition Pathways of the Potent Organophosphate Cbdp with Cholinesterases Revealed by X-Ray Crystallographic Snapshots and Mass Spectrometry
Chem.Res.Toxicol., 26, 2013
4AQD
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BU of 4aqd by Molmil
Crystal structure of fully glycosylated human butyrylcholinesterase
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Brazzolotto, X, Wandhammer, M, Ronco, C, Trovaslet, M, Jean, L, Lockridge, O, Renard, P.Y, Nachon, F.
登録日2012-04-16
公開日2012-07-04
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Human butyrylcholinesterase produced in insect cells: huprine-based affinity purification and crystal structure.
FEBS J., 279, 2012
6ZWI
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BU of 6zwi by Molmil
Human butyrylcholinesterase in complex with ((6-((2E,4E)-5-(benzo[d][1,3]dioxol-5-yl)penta-2,4-dienamido)hexyl)triphenylphosphonium bromide)
分子名称: (2~{E},4~{E})-5-(1,3-benzodioxol-5-yl)-~{N}-[6-(triphenyl-$l^{5}-phosphanyl)hexyl]penta-2,4-dienamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Da Silva, O, Nachon, F, Dias, J, Brazzolotto, X.
登録日2020-07-28
公開日2021-06-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Fine-Tuning the Biological Profile of Multitarget Mitochondriotropic Antioxidants for Neurodegenerative Diseases.
Antioxidants (Basel), 10, 2021
6ZWE
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BU of 6zwe by Molmil
Crystal structure of human acetylcholinesterase in complex with ((6-((2E,4E)-5-(benzo[d][1,3]dioxol-5-yl)penta-2,4-dienamido)hexyl)triphenylphosphonium bromide)
分子名称: (2~{E},4~{E})-5-(1,3-benzodioxol-5-yl)-~{N}-[6-(triphenyl-$l^{5}-phosphanyl)hexyl]penta-2,4-dienamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Da Silva, O, Dias, J, Nachon, F, Brazzolotto, X.
登録日2020-07-28
公開日2021-06-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Fine-Tuning the Biological Profile of Multitarget Mitochondriotropic Antioxidants for Neurodegenerative Diseases.
Antioxidants (Basel), 10, 2021
4AXB
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BU of 4axb by Molmil
Crystal structure of soman-aged human butyrylcholinesterase in complex with 2-PAM
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
著者Wandhammer, M, de Koning, M, Noort, D, Goeldner, M, Nachon, F.
登録日2012-06-12
公開日2012-08-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献A Step Toward the Reactivation of Aged Cholinesterases -Crystal Structure of Ligands Binding to Aged Human Butyrylcholinesterase
Chem.Biol.Interact, 203, 2013
4A16
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BU of 4a16 by Molmil
Structure of mouse Acetylcholinesterase complex with Huprine derivative
分子名称: (1-{4-[(7S,11S)-12-AMINO-3-CHLORO-6,7,10,11-TETRAHYDRO-7,11-METHANOCYCLOOCTA[B]QUINOLIN-9-YL]BUTYL}-1H-1,2,3-TRIAZOL-4-YL)METHANOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, ...
著者Carletti, E, Colletier, J.P, Nachon, F, Weik, M, Ronco, C, Jean, L, Renard, P.Y.
登録日2011-09-14
公開日2012-03-28
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Huprine Derivatives as Sub-Nanomolar Human Acetylcholinesterase Inhibitors: From Rational Design to Validation by X-Ray Crystallography.
Chemmedchem, 7, 2012
7BFN
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BU of 7bfn by Molmil
Apo form of Thermogutta terrifontis esterase 2
分子名称: Esterase, SULFATE ION
著者Brazzolotto, X.B, Bzdrenga, J, Nachon, F.
登録日2021-01-04
公開日2021-02-10
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献A Thermophilic Bacterial Esterase for Scavenging Nerve Agents: A Kinetic, Biophysical and Structural Study.
Molecules, 26, 2021
7BFU
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BU of 7bfu by Molmil
Thermogutta terrifontis esterase 2 phosphonylated by sarin
分子名称: ETHANOL, Esterase
著者Brazzolotto, X.B, Bzdrenga, J, Nachon, F.
登録日2021-01-04
公開日2021-02-10
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献A Thermophilic Bacterial Esterase for Scavenging Nerve Agents: A Kinetic, Biophysical and Structural Study.
Molecules, 26, 2021
7BFT
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BU of 7bft by Molmil
Thermogutta terrifontis esterase 2 phosphoramylated by tabun
分子名称: Esterase, PHOSPHATE ION
著者Brazzolotto, X.B, Bzdrenga, J, Nachon, F.
登録日2021-01-04
公開日2021-02-10
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献A Thermophilic Bacterial Esterase for Scavenging Nerve Agents: A Kinetic, Biophysical and Structural Study.
Molecules, 26, 2021
7BFO
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BU of 7bfo by Molmil
Thermogutta terrifontis esterase 2 phosphonylated by VX
分子名称: ETHANOL, Esterase
著者Brazzolotto, X.B, Bzdrenga, J, Nachon, F.
登録日2021-01-04
公開日2021-02-10
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献A Thermophilic Bacterial Esterase for Scavenging Nerve Agents: A Kinetic, Biophysical and Structural Study.
Molecules, 26, 2021
7BFR
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BU of 7bfr by Molmil
Thermogutta terrifontis esterase 2 phosphorylated by paraoxon
分子名称: CARBONATE ION, Esterase
著者Brazzolotto, X.B, Bzdrenga, J, Nachon, F.
登録日2021-01-04
公開日2021-02-10
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献A Thermophilic Bacterial Esterase for Scavenging Nerve Agents: A Kinetic, Biophysical and Structural Study.
Molecules, 26, 2021
7BFV
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BU of 7bfv by Molmil
Thermogutta terrifontis esterase 2 phosphonylated by cyclosarin
分子名称: Esterase, PHOSPHATE ION, SODIUM ION
著者Brazzolotto, X.B, Bzdrenga, J, Nachon, F.
登録日2021-01-04
公開日2021-02-10
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献A Thermophilic Bacterial Esterase for Scavenging Nerve Agents: A Kinetic, Biophysical and Structural Study.
Molecules, 26, 2021
7BO3
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BU of 7bo3 by Molmil
Human Butyrylcholinesterase in complex with N-(2-(1H-Indol-3-yl)ethyl)-2-cycloheptyl-N-methylethan-1-amine
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Brazzolotto, X, Meden, A, Knez, D, Nachon, F, Gobec, S.
登録日2021-01-23
公開日2022-03-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献From tryptophan-based amides to tertiary amines: Optimization of a butyrylcholinesterase inhibitor series.
Eur.J.Med.Chem., 234, 2022
7BO4
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BU of 7bo4 by Molmil
Human Butyrylcholinesterase in complex with 3-(2-(butyl(2-cycloheptylethyl)amino)ethyl)-1H-indol-6-ol
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Brazzolotto, X, Meden, A, Knez, D, Nachon, F, Gobec, S.
登録日2021-01-23
公開日2022-03-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.401 Å)
主引用文献From tryptophan-based amides to tertiary amines: Optimization of a butyrylcholinesterase inhibitor series.
Eur.J.Med.Chem., 234, 2022
6EMI
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BU of 6emi by Molmil
Crystal structure of a variant of human butyrylcholinesterase expressed in bacteria.
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Cholinesterase, ...
著者Brazzolotto, X, Igert, A, Guillon, V, Santoni, G, Nachon, F.
登録日2017-10-02
公開日2017-11-08
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.476 Å)
主引用文献Bacterial Expression of Human Butyrylcholinesterase as a Tool for Nerve Agent Bioscavengers Development.
Molecules, 22, 2017

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