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PDB: 12 件

4W63
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TORPEDO CALIFORNICA ACETYLCHOLINESTERASE IN COMPLEX WITH A TACRINE-BENZOFURAN HYBRID INHIBITOR
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, ...
著者Pesaresi, A, Samez, S, Lamba, D.
登録日2014-08-20
公開日2015-09-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Novel Tacrine-Benzofuran Hybrids as Potent Multitarget-Directed Ligands for the Treatment of Alzheimer's Disease: Design, Synthesis, Biological Evaluation, and X-ray Crystallography.
J.Med.Chem., 59, 2016
4X3C
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BU of 4x3c by Molmil
TORPEDO CALIFORNICA ACETYLCHOLINESTERASE IN COMPLEX WITH A TACRINE-NICOTINAMIDE HYBRID INHIBITOR
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, ...
著者Pesaresi, A, Lamba, D.
登録日2014-11-28
公開日2015-12-23
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献TORPEDO CALIFORNICA ACETYLCHOLINESTERASE IN COMPLEX WITH A TACRINE-NICOTINAMIDE HYBRID INHIBITOR
To Be Published
4TVK
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BU of 4tvk by Molmil
TORPEDO CALIFORNICA ACETYLCHOLINESTERASE IN COMPLEX WITH A CHLOROTACRINE-JUGLONE HYBRID INHIBITOR
分子名称: 2-({2-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]ethyl}amino)-5-hydroxynaphthalene-1,4-dione, 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Pesaresi, A, Samez, S, Lamba, D.
登録日2014-06-27
公開日2014-10-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Multitarget Drug Design Strategy: Quinone-Tacrine Hybrids Designed To Block Amyloid-beta Aggregation and To Exert Anticholinesterase and Antioxidant Effects.
J.Med.Chem., 57, 2014
5IH7
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BU of 5ih7 by Molmil
Acetylcholinesterase of Torpedo californica in complex with the N-methyl-indoxylacetate hydrolysis products
分子名称: 1-methyl-1,2-dihydro-3H-indol-3-one, 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Pesaresi, A, Lamba, D.
登録日2016-02-29
公開日2017-04-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Acetylcholinesterase of Torpedo californica in complex with the N-methyl-indoxylacetate hydrolysis products
To Be Published
3CN7
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Crystal Structure Analysis of the Carboxylesterase PA3859 from Pseudomonas aeruginosa PAO1- MONOCLINIC CRYSTAL FORM
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Carboxylesterase
著者Pesaresi, A, Lamba, D.
登録日2008-03-25
公開日2009-03-10
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.99 Å)
主引用文献Insights into the fatty acid chain length specificity of the carboxylesterase PA3859 from Pseudomonas aeruginosa: A combined structural, biochemical and computational study.
Biochimie, 92, 2010
5EHX
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Crystal structure of MSF-aged Torpedo californica Acetylcholinesterase
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3,6,9,12,15-PENTAOXAHEPTADECAN-1-OL, ...
著者Pesaresi, A, Lamba, D.
登録日2015-10-29
公開日2016-11-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of MSF-aged Torpedo californica Acetylcholinesterase
To Be Published
5EI5
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Crystal structure of MSF-aged Torpedo californica Acetylcholinesterase in complex with alkylene-linked bis-tacrine dimer (7 carbon linker)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, ...
著者Pesaresi, A, Lamba, D.
登録日2015-10-29
公開日2016-11-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献MSF-AGED TORPEDO CALIFORNICA ACETYLCHOLINESTERASE IN COMPLEX WITH BISTACRINE
To Be Published
3CN9
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Crystal Structure Analysis of the Carboxylesterase PA3859 from Pseudomonas aeruginosa PAO1- orthorhombic crystal form
分子名称: 2-(2-METHOXYETHOXY)ETHANOL, Carboxylesterase, NONAETHYLENE GLYCOL
著者Lamba, D, Pesaresi, A.
登録日2008-03-25
公開日2009-03-10
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Insights into the fatty acid chain length specificity of the carboxylesterase PA3859 from Pseudomonas aeruginosa: A combined structural, biochemical and computational study.
Biochimie, 92, 2010
5NAP
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BU of 5nap by Molmil
Torpedo californica acetylcholinesterase in complex with a non-chiral donepezil-like inhibitor 17
分子名称: (2~{E})-5,6-dimethoxy-2-[[1-(phenylmethyl)piperidin-4-yl]methylidene]-3~{H}-inden-1-one, Acetylcholinesterase, alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Caliandro, R, Pesaresi, A, Lamba, D.
登録日2017-02-28
公開日2018-05-02
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Kinetic and structural studies on the interactions of Torpedo californica acetylcholinesterase with two donepezil-like rigid analogues.
J Enzyme Inhib Med Chem, 33, 2018
5NAU
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BU of 5nau by Molmil
Torpedo californica acetylcholinesterase in complex with a non-chiral donepezil-like compound 20
分子名称: (2~{E})-5-methoxy-2-[[1-(phenylmethyl)piperidin-4-yl]methylidene]-3~{H}-inden-1-one, Acetylcholinesterase, alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Caliandro, R, Pesaresi, A, Lamba, D.
登録日2017-02-28
公開日2018-05-02
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Kinetic and structural studies on the interactions of Torpedo californica acetylcholinesterase with two donepezil-like rigid analogues.
J Enzyme Inhib Med Chem, 33, 2018
3DHO
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BU of 3dho by Molmil
Structure of Streptogramin Acetyltransferase in Complex with an Inhibitor
分子名称: 6-bromo-N'-[(1Z)-(3,5-dichloro-2-hydroxyphenyl)methylidene]-2-methylquinoline-4-carbohydrazide, DIMETHYL SULFOXIDE, FORMIC ACID, ...
著者Roderick, S.L, Pesaresi, A, Wright, G.D.
登録日2008-06-18
公開日2009-09-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure of Streptogramin Acetyltransferase in Complex with an Inhibitor
To be Published
5NUU
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BU of 5nuu by Molmil
Torpedo californica acetylcholinesterase in complex with a chlorotacrine-tryptophan hybrid inhibitor
分子名称: (2~{S})-2-azanyl-~{N}-[6-[(6-chloranyl-1,2,3,4-tetrahydroacridin-9-yl)amino]hexyl]-3-(1~{H}-indol-3-yl)propanamide, Acetylcholinesterase, alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Caliandro, R, Pesaresi, A, Lamba, D.
登録日2017-05-02
公開日2018-05-30
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Novel tacrine-tryptophan hybrids: Multi-target directed ligands as potential treatment for Alzheimer's disease.
Eur.J.Med.Chem., 168, 2019

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件を2024-06-26に公開中

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