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PDB: 354 件
5CH3
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E3 alpha-esterase-7 carboxylesterase
分子名称: Carboxylic ester hydrolase
著者Correy, G, Mabbitt, P, Jackson, C.J.
登録日2015-07-10
公開日2016-06-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Mapping the Accessible Conformational Landscape of an Insect Carboxylesterase Using Conformational Ensemble Analysis and Kinetic Crystallography.
Structure, 24, 2016
5CH5
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BU of 5ch5 by Molmil
E3 alpha-esterase-7 carboxylesterase
分子名称: Carboxylic ester hydrolase, DIETHYL HYDROGEN PHOSPHATE
著者Correy, G, Mabbitt, P, Jackson, C.J.
登録日2015-07-10
公開日2016-06-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Mapping the Accessible Conformational Landscape of an Insect Carboxylesterase Using Conformational Ensemble Analysis and Kinetic Crystallography.
Structure, 24, 2016
8SH8
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BU of 8sh8 by Molmil
Crystal structure of SARS-CoV-2 NSP3 macrodomain Asn40Asp mutant in complex with ADP-ribose (P43 crystal form)
分子名称: Papain-like protease nsp3, [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE
著者Correy, G.J, Fraser, J.S.
登録日2023-04-13
公開日2024-05-01
実験手法X-RAY DIFFRACTION (0.9 Å)
主引用文献Crystal structure of SARS-CoV-2 NSP3 macrodomain Asn40Asp mutant in complex with ADP-ribose (P43 crystal form)
To Be Published
8SH6
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BU of 8sh6 by Molmil
Crystal structure of SARS-CoV-2 NSP3 macrodomain Asn40Asp mutant (P43 crystal form)
分子名称: Papain-like protease nsp3
著者Correy, G.J, Fraser, J.S.
登録日2023-04-13
公開日2024-05-01
実験手法X-RAY DIFFRACTION (0.9 Å)
主引用文献Crystal structure of SARS-CoV-2 NSP3 macrodomain Asn40Asp mutant (P43 crystal form)
To Be Published
7KQP
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BU of 7kqp by Molmil
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ADP-ribose (P43 crystal form)
分子名称: Non-structural protein 3, [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE
著者Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S.
登録日2020-11-17
公開日2020-12-09
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (0.88 Å)
主引用文献Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
Sci Adv, 7, 2021
7KQW
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BU of 7kqw by Molmil
Crystal structure of SARS-CoV-2 NSP3 macrodomain (C2 crystal form, methylated)
分子名称: Non-structural protein 3
著者Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S.
登録日2020-11-17
公開日2020-12-09
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (0.93 Å)
主引用文献Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
Sci Adv, 7, 2021
7KR0
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BU of 7kr0 by Molmil
Crystal structure of SARS-CoV-2 NSP3 macrodomain (C2 crystal form, 100 K)
分子名称: Non-structural protein 3
著者Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S.
登録日2020-11-18
公開日2020-12-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (0.77 Å)
主引用文献Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
Sci Adv, 7, 2021
7KR1
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BU of 7kr1 by Molmil
Crystal structure of SARS-CoV-2 NSP3 macrodomain (C2 crystal form, 310 K)
分子名称: Non-structural protein 3
著者Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S.
登録日2020-11-18
公開日2020-12-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
Sci Adv, 7, 2021
7KQO
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BU of 7kqo by Molmil
Crystal structure of SARS-CoV-2 NSP3 macrodomain (P43 crystal form)
分子名称: Non-structural protein 3
著者Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S.
登録日2020-11-17
公開日2020-12-09
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (0.85 Å)
主引用文献Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
Sci Adv, 7, 2021
5C8V
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BU of 5c8v by Molmil
Lucilia cuprina alpha esterase 7: Gly137Asp
分子名称: Carboxylic ester hydrolase
著者Correy, G.J, Mabbitt, P.D, Jackson, C.J.
登録日2015-06-26
公開日2016-03-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Conformational Disorganization within the Active Site of a Recently Evolved Organophosphate Hydrolase Limits Its Catalytic Efficiency.
Biochemistry, 55, 2016
5IVI
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BU of 5ivi by Molmil
The alpha-esterase-7 carboxylesterase, E3, from the blowfly Lucilia cuprina: phosphorylated enzyme qFit multi-conformer model
分子名称: Carboxylic ester hydrolase, DIETHYL HYDROGEN PHOSPHATE
著者Correy, G.J, Jackson, C.J.
登録日2016-03-20
公開日2016-06-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Mapping the Accessible Conformational Landscape of an Insect Carboxylesterase Using Conformational Ensemble Analysis and Kinetic Crystallography.
Structure, 24, 2016
5IVK
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BU of 5ivk by Molmil
The alpha-esterase-7 carboxylesterase, E3, from the blowfly Lucilia cuprina: phosphorylated-enzyme ensemble refinement
分子名称: Carboxylic ester hydrolase, DIETHYL HYDROGEN PHOSPHATE
著者Correy, G.J, Jackson, C.J.
登録日2016-03-21
公開日2016-06-22
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Mapping the Accessible Conformational Landscape of an Insect Carboxylesterase Using Conformational Ensemble Analysis and Kinetic Crystallography.
Structure, 24, 2016
5IVH
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BU of 5ivh by Molmil
The alpha-esterase-7 carboxylesterase, E3, from the blowfly Lucilia cuprina: apo-enzyme ensemble refinement
分子名称: Carboxylic ester hydrolase
著者Correy, G.J, Jackson, C.J.
登録日2016-03-20
公開日2016-06-22
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Mapping the Accessible Conformational Landscape of an Insect Carboxylesterase Using Conformational Ensemble Analysis and Kinetic Crystallography.
Structure, 24, 2016
5IVD
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BU of 5ivd by Molmil
The alpha-esterase-7 carboxylesterase, E3, from the blowfly Lucilia cuprina: apo-enzyme qFit multi-conformer model
分子名称: Carboxylic ester hydrolase
著者Correy, G.J, Jackson, C.J.
登録日2016-03-20
公開日2016-06-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Mapping the Accessible Conformational Landscape of an Insect Carboxylesterase Using Conformational Ensemble Analysis and Kinetic Crystallography.
Structure, 24, 2016
8ERS
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BU of 8ers by Molmil
PanDDA analysis -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z4718398507 - (R,S) isomer
分子名称: (1R,2S)-1-[(4-amino-2-hydroxybenzoyl)oxy]-2,3-dihydro-1H-indene-2-carboxylic acid, Non-structural protein 3
著者Correy, G.J, Fraser, J.S.
登録日2022-10-12
公開日2022-11-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Ligand screen against SARS-CoV-2 NSP3 macrodomain
To be published
5TYP
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BU of 5typ by Molmil
alpha-esterase-7 in complex with (3-bromo-4-methylphenyl)boronic acid
分子名称: (3-bromo-4-methylphenyl)boronic acid, Carboxylic ester hydrolase
著者Correy, G.J, Jackson, C.J.
登録日2016-11-21
公開日2017-12-06
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Overcoming insecticide resistance through computational inhibitor design.
Proc.Natl.Acad.Sci.USA, 116, 2019
5TYM
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BU of 5tym by Molmil
alpha-esterase-7 in complex with [3-bromo-5-(pyrrolidin-1-yl)phenyl]borinic acid
分子名称: Carboxylic ester hydrolase, [3-bromo-5-(pyrrolidin-1-yl)phenyl]borinic acid
著者Correy, G.J, Jackson, C.J.
登録日2016-11-21
公開日2017-12-06
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Overcoming insecticide resistance through computational inhibitor design.
Proc.Natl.Acad.Sci.USA, 116, 2019
5TYK
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BU of 5tyk by Molmil
alpha-esterase-7 in complex with 3-chloro-4-[(2-fluorophenyl)methoxy]phenylborinic acid
分子名称: Carboxylic ester hydrolase, {3-chloro-4-[(2-fluorophenyl)methoxy]phenyl}borinic acid
著者Correy, G.J, Jackson, C.J.
登録日2016-11-21
公開日2017-12-06
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Overcoming insecticide resistance through computational inhibitor design.
Proc.Natl.Acad.Sci.USA, 116, 2019
5TYO
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BU of 5tyo by Molmil
alpha-esterase-7 in complex with [3-(benzyloxy)-4-methylphenyl]borinic acid
分子名称: Carboxylic ester hydrolase, [3-(benzyloxy)-4-methylphenyl]borinic acid
著者Correy, G.J, Jackson, C.J.
登録日2016-11-21
公開日2017-12-06
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Overcoming insecticide resistance through computational inhibitor design.
Proc.Natl.Acad.Sci.USA, 116, 2019
5TYN
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BU of 5tyn by Molmil
alpha-esterase-7 in complex with [3-bromo-5-(pyrrolidin-1-yl)phenyl]borinic acid
分子名称: Carboxylic ester hydrolase, [3-bromo-5-(pyrrolidin-1-yl)phenyl]borinic acid
著者Correy, G.J, Jackson, C.J.
登録日2016-11-21
公開日2017-12-06
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.531 Å)
主引用文献Overcoming insecticide resistance through computational inhibitor design.
Proc.Natl.Acad.Sci.USA, 116, 2019
5TYJ
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BU of 5tyj by Molmil
alpha-esterase-7 in complex with (3-bromo-5-phenoxylphenyl)boronic acid
分子名称: (3-bromo-5-phenoxyphenyl)boronic acid, Carboxylic ester hydrolase
著者Correy, G.J, Jackson, C.J.
登録日2016-11-20
公開日2017-12-06
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Overcoming insecticide resistance through computational inhibitor design.
Proc.Natl.Acad.Sci.USA, 116, 2019
5TYL
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BU of 5tyl by Molmil
alpha-esterase-7 in complex with naphthalen-2-ylboronic acid
分子名称: Carboxylic ester hydrolase, naphthalen-2-ylboronic acid
著者Correy, G.J, Jackson, C.J.
登録日2016-11-21
公開日2017-12-06
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Overcoming insecticide resistance through computational inhibitor design.
Proc.Natl.Acad.Sci.USA, 116, 2019
7TWN
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BU of 7twn by Molmil
Crystal structure of SARS-CoV-2 NSP3 macrodomain at pH 5 (P43 crystal form)
分子名称: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CITRIC ACID, Non-structural protein 3
著者Correy, G.J, Fraser, J.S.
登録日2022-02-07
公開日2022-02-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (0.9 Å)
主引用文献The mechanisms of catalysis and ligand binding for the SARS-CoV-2 NSP3 macrodomain from neutron and x-ray diffraction at room temperature.
Sci Adv, 8, 2022
7TWR
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BU of 7twr by Molmil
Crystal structure of SARS-CoV-2 NSP3 macrodomain at pH 8 (P43 crystal form)
分子名称: ACETATE ION, Non-structural protein 3
著者Correy, G.J, Fraser, J.S.
登録日2022-02-07
公開日2022-02-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (0.9 Å)
主引用文献The mechanisms of catalysis and ligand binding for the SARS-CoV-2 NSP3 macrodomain from neutron and x-ray diffraction at room temperature.
Sci Adv, 8, 2022
7TWF
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BU of 7twf by Molmil
Crystal structure of SARS-CoV-2 NSP3 macrodomain at 293 K (P43 crystal form, 73 kGy)
分子名称: Non-structural protein 3
著者Correy, G.J, Fraser, J.S.
登録日2022-02-07
公開日2022-02-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献The mechanisms of catalysis and ligand binding for the SARS-CoV-2 NSP3 macrodomain from neutron and x-ray diffraction at room temperature.
Sci Adv, 8, 2022

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件を2024-10-09に公開中

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