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1XLU
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BU of 1xlu by Molmil
X-Ray Structure Of Di-Isopropyl-Phosphoro-Fluoridate (Dfp) Inhibited Butyrylcholinesterase after Aging
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-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, ...
Authors:Nachon, F, Asojo, O.A, Borgstahl, G.E.O, Masson, P, Lockridge, O.
Deposit date:2004-09-30
Release date:2005-02-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.198 Å)
Cite:Role of Water in Aging of Human Butyrylcholinesterase Inhibited by Echothiophate: The Crystal Structure Suggests Two Alternative Mechanisms of Aging
Biochemistry, 44, 2005
1XLV
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Ethylphosphorylated Butyrylcholinesterase (Aged) Obtained By Reaction With Echothiophate
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-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, ...
Authors:Nachon, F, Asojo, O.A, Borgstahl, G.E.O, Masson, P, Lockridge, O.
Deposit date:2004-09-30
Release date:2005-02-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.247 Å)
Cite:Role of Water in Aging of Human Butyrylcholinesterase Inhibited by Echothiophate: The Crystal Structure Suggests Two Alternative Mechanisms of Aging
Biochemistry, 44, 2005
1XLW
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BU of 1xlw by Molmil
Diethylphosphorylated Butyrylcholinesterase (Nonaged) Obtained By Reaction With Echothiophate
Descriptor: 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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Nachon, F, Asojo, O.A, Borgstahl, G.E.O, Masson, P, Lockridge, O.
Deposit date:2004-09-30
Release date:2005-02-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Role of Water in Aging of Human Butyrylcholinesterase Inhibited by Echothiophate: The Crystal Structure Suggests Two Alternative Mechanisms of Aging
Biochemistry, 44, 2005
6XYU
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BU of 6xyu by Molmil
Update of AChE from Drosophila Melanogaster complex with tacrine derivative 9-(3-iodobenzylamino)-1,2,3,4-tetrahydroacridine
Descriptor: 9-(3-IODOBENZYLAMINO)-1,2,3,4-TETRAHYDROACRIDINE, Acetylcholinesterase, IODIDE ION, ...
Authors:Nachon, F, Sussman, J.L.
Deposit date:2020-01-31
Release date:2020-03-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:A Second Look at the Crystal Structures ofDrosophila melanogasterAcetylcholinesterase in Complex with Tacrine Derivatives Provides Insights Concerning Catalytic Intermediates and the Design of Specific Insecticides.
Molecules, 25, 2020
6XYY
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BU of 6xyy by Molmil
Update of ACHE FROM DROSOPHILA MELANOGASTER COMPLEX WITH TACRINE DERIVATIVE 9-(3-PHENYLMETHYLAMINO)-1,2,3,4-TETRAHYDROACRIDINE
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 9-(3-PHENYLMETHYLAMINO)-1,2,3,4-TETRAHYDROACRIDINE, Acetylcholinesterase, ...
Authors:Nachon, F, Sussman, J.L.
Deposit date:2020-01-31
Release date:2020-03-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:A Second Look at the Crystal Structures ofDrosophila melanogasterAcetylcholinesterase in Complex with Tacrine Derivatives Provides Insights Concerning Catalytic Intermediates and the Design of Specific Insecticides.
Molecules, 25, 2020
6XYS
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BU of 6xys by Molmil
Update of native acetylcholinesterase from Drosophila Melanogaster
Descriptor: ACETATE ION, Acetylcholinesterase, CHLORIDE ION, ...
Authors:Nachon, F, Sussman, J.L.
Deposit date:2020-01-31
Release date:2020-03-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:A Second Look at the Crystal Structures ofDrosophila melanogasterAcetylcholinesterase in Complex with Tacrine Derivatives Provides Insights Concerning Catalytic Intermediates and the Design of Specific Insecticides.
Molecules, 25, 2020
8AEV
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BU of 8aev by Molmil
Human acetylcholinesterase in complex with N,N,N-trimethyl-2-oxo-2-(2-(pyridin-2-ylmethylene)hydrazineyl)ethan-1-aminium
Descriptor: 1-(2-(2-((6-(dihydroxymethyl)-2-phenylpyrimidin-4-yl)methylene)hydrazineyl)-2-oxoethyl)pyridin-1-ium, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-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, ...
Authors:Nachon, F, Dias, J, Brazzolotto, X.
Deposit date:2022-07-13
Release date:2023-06-14
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Grid-Type Quaternary Metallosupramolecular Compounds Inhibit Human Cholinesterases through Dynamic Multivalent Interactions.
Chembiochem, 23, 2022
8AEN
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BU of 8aen by Molmil
Human acetylcholinesterase in complex with zinc and N,N,N-trimethyl-2-oxo-2-(2-(pyridin-2-ylmethylene)hydrazineyl)ethan-1-aminium
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-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, Acetylcholinesterase, ...
Authors:Nachon, F, Dias, J, Brazzolotto, X.
Deposit date:2022-07-13
Release date:2023-06-21
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (3.01 Å)
Cite:Grid-Type Quaternary Metallosupramolecular Compounds Inhibit Human Cholinesterases through Dynamic Multivalent Interactions.
Chembiochem, 23, 2022
8AM2
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BU of 8am2 by Molmil
Human butyrylcholinesterase in complex with 2,2'-(((1E,1'E)-(2-phenylpyrimidine-4,6-diyl)bis(methaneylylidene))bis(hydrazin-1-yl-2-ylidene))bis(N,N,N-trimethyl-2-oxoethan-1-aminium)
Descriptor: 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, CHLORIDE ION, ...
Authors:Nachon, F, Brazzolotto, X, Dias, J.
Deposit date:2022-08-02
Release date:2023-06-14
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Grid-Type Quaternary Metallosupramolecular Compounds Inhibit Human Cholinesterases through Dynamic Multivalent Interactions.
Chembiochem, 23, 2022
8AM1
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BU of 8am1 by Molmil
Human butyrylcholinesterase in complex with zinc and N,N,N-trimethyl-2-oxo-2-(2-(pyridin-2-ylmethylene)hydrazineyl)ethan-1-aminium
Descriptor: 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, AMMONIUM ION, ...
Authors:Nachon, F, Brazzolotto, X, Dias, J.
Deposit date:2022-08-02
Release date:2023-06-14
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Grid-Type Quaternary Metallosupramolecular Compounds Inhibit Human Cholinesterases through Dynamic Multivalent Interactions.
Chembiochem, 23, 2022
4BDS
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BU of 4bds by Molmil
Human butyrylcholinesterase in complex with tacrine
Descriptor: 1-formyl-L-proline, 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, ...
Authors:Nachon, F, Carletti, E, Ronco, C, Trovaslet, M, Nicolet, Y, Jean, L, Renard, P.-Y.
Deposit date:2012-10-06
Release date:2013-05-29
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structures of Human Cholinesterases in Complex with Huprine W and Tacrine: Elements of Specificity for Anti-Alzheimer'S Drugs Targeting Acetyl- and Butyrylcholinesterase.
Biochem.J., 453, 2013
4BDT
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BU of 4bdt by Molmil
Human acetylcholinesterase in complex with huprine W and fasciculin 2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, CHLORIDE ION, ...
Authors:Nachon, F, Carletti, E, Ronco, C, Trovaslet, M, Nicolet, Y, Jean, L, Renard, P.-Y.
Deposit date:2012-10-06
Release date:2013-05-29
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.104 Å)
Cite:Crystal structures of human cholinesterases in complex with huprine W and tacrine: elements of specificity for anti-Alzheimer's drugs targeting acetyl- and butyryl-cholinesterase.
Biochem. J., 453, 2013
2XMB
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BU of 2xmb by Molmil
G117H mutant of human butyrylcholinesterase in complex with sulfate
Descriptor: 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, ...
Authors:Nachon, F, Carletti, E, Wandhammer, M, Nicolet, Y, Schopfer, L.M, Masson, P, Lockridge, O.
Deposit date:2010-07-27
Release date:2010-12-01
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:X-Ray Crystallographic Snapshots of Reaction Intermediates in the G117H Mutant of Human Butyrylcholinesterase, a Nerve Agent Target Engineered Into a Catalytic Bioscavenge
Biochem.J., 434, 2011
2XMC
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BU of 2xmc by Molmil
G117H mutant of human butyrylcholinesterase in complex with fluoride anion
Descriptor: 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, CHLORIDE ION, ...
Authors:Nachon, F, Carletti, E, Wandhammer, M, Nicolet, Y, Schopfer, L.M, Masson, P, Lockridge, O.
Deposit date:2010-07-27
Release date:2010-12-01
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:X-Ray Crystallographic Snapshots of Reaction Intermediates in the G117H Mutant of Human Butyrylcholinesterase, a Nerve Agent Target Engineered Into a Catalytic Bioscavenge
Biochem.J., 434, 2011
2XMD
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BU of 2xmd by Molmil
G117H mutant of human butyrylcholinesterase in complex with echothiophate
Descriptor: 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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Nachon, F, Carletti, E, Wandhammer, M, Nicolet, Y, Schopfer, L.M, Masson, P, Lockridge, O.
Deposit date:2010-07-27
Release date:2010-12-01
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:X-Ray Crystallographic Snapshots of Reaction Intermediates in the G117H Mutant of Human Butyrylcholinesterase, a Nerve Agent Target Engineered Into a Catalytic Bioscavenge
Biochem.J., 434, 2011
2XMG
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BU of 2xmg by Molmil
G117H mutant of human butyrylcholinesterase in complex with VX
Descriptor: 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, AMMONIUM ION, ...
Authors:Nachon, F, Carletti, E, Wandhammer, M, Nicolet, Y, Schopfer, L.M, Masson, P, Lockridge, O.
Deposit date:2010-07-27
Release date:2010-12-01
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:X-Ray Crystallographic Snapshots of Reaction Intermediates in the G117H Mutant of Human Butyrylcholinesterase, a Nerve Agent Target Engineered Into a Catalytic Bioscavenge
Biochem.J., 434, 2011
3DKK
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BU of 3dkk by Molmil
Aged Form of Human Butyrylcholinesterase Inhibited by Tabun
Descriptor: 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, ...
Authors:Nachon, F, Carletti, E.
Deposit date:2008-06-25
Release date:2008-12-02
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Aging of Cholinesterases Phosphylated by Tabun Proceeds through O-Dealkylation.
J.Am.Chem.Soc., 130, 2008
7BGC
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BU of 7bgc by Molmil
human butyrylcholinesterase in complex with a tacrine-methylanacardate hybrid inhibitor
Descriptor: 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, ...
Authors:Nachon, F, Salerno, A, Bolognesi, M.L.
Deposit date:2021-01-06
Release date:2021-04-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Sustainable Drug Discovery of Multi-Target-Directed Ligands for Alzheimer's Disease.
J.Med.Chem., 64, 2021
6EQP
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BU of 6eqp by Molmil
Human butyrylcholinesterase in complex with ethopropazine
Descriptor: 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, ...
Authors:Nachon, F, Brazzolotto, X, Wandhammer, M, Trovaslet-Leroy, M, Rosenberry, T.L, Macdonald, I.R, Darvesh, S.
Deposit date:2017-10-14
Release date:2017-12-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.349417 Å)
Cite:Comparison of the Binding of Reversible Inhibitors to Human Butyrylcholinesterase and Acetylcholinesterase: A Crystallographic, Kinetic and Calorimetric Study.
Molecules, 22, 2017
6EP4
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BU of 6ep4 by Molmil
Human butyrylcholinesterase in complex with decamethonium
Descriptor: 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, ...
Authors:Nachon, F, Brazzolotto, X, Wandhammer, M, Trovaslet-Leroy, M, Rosenberry, T.L, Macdonald, I.R, Darvesh, S.
Deposit date:2017-10-10
Release date:2017-12-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.30005383 Å)
Cite:Comparison of the Binding of Reversible Inhibitors to Human Butyrylcholinesterase and Acetylcholinesterase: A Crystallographic, Kinetic and Calorimetric Study.
Molecules, 22, 2017
6EQQ
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BU of 6eqq by Molmil
Human butyrylcholinesterase in complex with huprine 19
Descriptor: 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, BROMIDE ION, ...
Authors:Nachon, F, Brazzolotto, X, Wandhammer, M, Trovaslet-Leroy, M, Rosenberry, T.L, Macdonald, I.R, Darvesh, S.
Deposit date:2017-10-15
Release date:2017-12-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.40000439 Å)
Cite:Comparison of the Binding of Reversible Inhibitors to Human Butyrylcholinesterase and Acetylcholinesterase: A Crystallographic, Kinetic and Calorimetric Study.
Molecules, 22, 2017
6ESJ
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BU of 6esj by Molmil
Human butyrylcholinesterase in complex with propidium
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3,8-DIAMINO-5[3-(DIETHYLMETHYLAMMONIO)PROPYL]-6-PHENYLPHENANTHRIDINIUM, ...
Authors:Nachon, F, Brazzolotto, X, Wandhammer, M, Trovaslet-Leroy, M, Macdonald, I.R, Darvesh, S, Rosenberry, T.L.
Deposit date:2017-10-20
Release date:2017-12-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.979845 Å)
Cite:Comparison of the Binding of Reversible Inhibitors to Human Butyrylcholinesterase and Acetylcholinesterase: A Crystallographic, Kinetic and Calorimetric Study.
Molecules, 22, 2017
6ESY
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BU of 6esy by Molmil
Human butyrylcholinesterase in complex with thioflavine T
Descriptor: 2-[4-(dimethylamino)phenyl]-3,6-dimethyl-1,3-benzothiazol-3-ium, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Nachon, F, Brazzolotto, X, Wandhammer, M, Trovaslet-Leroy, M, Macdonald, I.R, Darvesh, S, Rosenberry, T.L.
Deposit date:2017-10-24
Release date:2017-12-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Comparison of the Binding of Reversible Inhibitors to Human Butyrylcholinesterase and Acetylcholinesterase: A Crystallographic, Kinetic and Calorimetric Study.
Molecules, 22, 2017
7ZPB
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BU of 7zpb by Molmil
Structure of hemiacetylated human butyrylcholinesterase upon reaction with 8-(3-(4-(prop-2-yn-1-yl)piperazin-1-yl)propoxy)quinoline-2-carbaldehyde
Descriptor: 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, ...
Authors:Denic, M, Chioua, M, Knez, D, Gobec, S, Nachon, F, Marco-Contelles, J.L, Brazzolotto, X.
Deposit date:2022-04-27
Release date:2023-02-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:8-Hydroxyquinolylnitrones as multifunctional ligands for the therapy of neurodegenerative diseases.
Acta Pharm Sin B, 13, 2023
7QHE
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BU of 7qhe by Molmil
Human Butyrylcholinesterase in complex with (S)-1-(4-((naphthalen-1-yl)carbamoyl)benzyl)-N-(3-((1,2,3,4-tetrahydroacridin-9-yl)amino)propyl)piperidine-3-carboxamide
Descriptor: (3~{S})-1-[[4-(naphthalen-1-ylcarbamoyl)phenyl]methyl]-~{N}-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]piperidine-3-carboxamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Brazzolotto, X, Jing, L, Zhan, P, Liu, X, Nachon, F.
Deposit date:2021-12-12
Release date:2022-12-21
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:Rapid discovery and crystallography study of highly potent and selective butylcholinesterase inhibitors based on oxime-containing libraries and conformational restriction strategies.
Bioorg.Chem., 134, 2023

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PDB entries from 2024-03-27

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