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PDB: 82 件
7MOJ
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BU of 7moj by Molmil
Crystal Structure of Arabidopsis thaliana Plant and Fungi Atypical Dual Specificity Phosphatase 1(AtPFA-DSP1 ) Cys150Ser in complex with a metaphosphate intermediate
分子名称: PHOSPHITE ION, Tyrosine-protein phosphatase DSP1
著者Wang, H, Shears, S.B.
登録日2021-05-01
公開日2022-03-02
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A structural expose of noncanonical molecular reactivity within the protein tyrosine phosphatase WPD loop.
Nat Commun, 13, 2022
7MOF
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Crystal Structure of Arabidopsis thaliana Plant and Fungi Atypical Dual Specificity Phosphatase 1(AtPFA-DSP1 ) Cys150Ser in complex with 6-diphosphoinositol 1,2,3,4,5-pentakisphosphate 6-InsP7
分子名称: (1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate, INOSITOL HEXAKISPHOSPHATE, Tyrosine-protein phosphatase DSP1
著者Wang, H, Shears, S.B.
登録日2021-05-01
公開日2022-03-02
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献A structural expose of noncanonical molecular reactivity within the protein tyrosine phosphatase WPD loop.
Nat Commun, 13, 2022
7MOM
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BU of 7mom by Molmil
Crystal Structure of Arabidopsis thaliana Plant and Fungi Atypical Dual Specificity Phosphatase 1(AtPFA-DSP1 ) in complex with a metaphosphate intermediate
分子名称: BETA-MERCAPTOETHANOL, PHOSPHITE ION, Tyrosine-protein phosphatase DSP1
著者Wang, H, Shears, S.B.
登録日2021-05-01
公開日2022-03-02
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献A structural expose of noncanonical molecular reactivity within the protein tyrosine phosphatase WPD loop.
Nat Commun, 13, 2022
7MOE
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Crystal Structure of Arabidopsis thaliana Plant and Fungi Atypical Dual Specificity Phosphatase 1(AtPFA-DSP1)Cys150Ser in complex with 5-diphosphoinositol 1,2,3,4,6-pentakisphosphate (5-InsP7)
分子名称: (1r,2R,3S,4s,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate, Tyrosine-protein phosphatase DSP1
著者Wang, H, Shears, S.B.
登録日2021-05-01
公開日2022-03-02
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献A structural expose of noncanonical molecular reactivity within the protein tyrosine phosphatase WPD loop.
Nat Commun, 13, 2022
7MOK
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BU of 7mok by Molmil
Crystal Structure of Arabidopsis thaliana Plant and Fungi Atypical Dual Specificity Phosphatase 1(AtPFA-DSP1 ) in Complex with Phosphate in Conformation A (Pi(A))
分子名称: BETA-MERCAPTOETHANOL, PHOSPHATE ION, Tyrosine-protein phosphatase DSP1
著者Wang, H, Shears, S.B.
登録日2021-05-01
公開日2022-03-02
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献A structural expose of noncanonical molecular reactivity within the protein tyrosine phosphatase WPD loop.
Nat Commun, 13, 2022
7MOI
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Crystal Structure of Arabidopsis thaliana Plant and Fungi Atypical Dual Specificity Phosphatase 1(AtPFA-DSP1 ) Cys150Ser in complex with Phenyl Phosphate
分子名称: PHENYL DIHYDROGEN PHOSPHATE, Tyrosine-protein phosphatase DSP1
著者Wang, H, Shears, S.B.
登録日2021-05-01
公開日2022-03-02
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A structural expose of noncanonical molecular reactivity within the protein tyrosine phosphatase WPD loop.
Nat Commun, 13, 2022
7MOL
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Crystal Structure of Arabidopsis thaliana Plant and Fungi Atypical Dual Specificity Phosphatase 1(AtPFA-DSP1 ) in complex with phosphate in conformation B (Pi(B))
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, PHOSPHATE ION, Tyrosine-protein phosphatase DSP1
著者Wang, H, Shears, S.B.
登録日2021-05-01
公開日2022-03-02
最終更新日2022-05-11
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A structural expose of noncanonical molecular reactivity within the protein tyrosine phosphatase WPD loop.
Nat Commun, 13, 2022
7MOG
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Crystal Structure of Arabidopsis thaliana Plant and Fungi Atypical Dual Specificity Phosphatase 1(AtPFA-DSP1 ) Cys150Ser in complex with 5-PCF2 Am-InsP5, an analogue of 5-InsP7
分子名称: (1,1-difluoro-2-oxo-2-{[(1s,2R,3S,4s,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl]amino}ethyl)phosphonic acid, Tyrosine-protein phosphatase DSP1
著者Wang, H, Shears, S.B.
登録日2021-05-01
公開日2022-03-02
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A structural expose of noncanonical molecular reactivity within the protein tyrosine phosphatase WPD loop.
Nat Commun, 13, 2022
7MOD
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Crystal Structure of Arabidopsis thaliana Plant and Fungi Atypical Dual Specificity Phosphatase 1(AtPFA-DSP1 ) Cys150Ser in Complex with Phosphate in Conformation A (Pi(A))
分子名称: PHOSPHATE ION, Tyrosine-protein phosphatase DSP1
著者Wang, H, Shears, S.B.
登録日2021-05-01
公開日2022-03-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献A structural expose of noncanonical molecular reactivity within the protein tyrosine phosphatase WPD loop.
Nat Commun, 13, 2022
7MOH
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Crystal Structure of Arabidopsis thaliana Plant and Fungi Atypical Dual Specificity Phosphatase 1(AtPFA-DSP1 ) Cys150Ser in complex with 5-diphosphoinositol 1,3,4,6-tetrakisphosphate (5PP-InsP4) and phosphate in conformation B (Pi(B))
分子名称: (1r,2R,3S,4r,5R,6S)-4-hydroxy-2,3,5,6-tetrakis(phosphonooxy)cyclohexyl trihydrogen diphosphate, PHOSPHATE ION, Tyrosine-protein phosphatase DSP1
著者Wang, H, Shears, S.B.
登録日2021-05-01
公開日2022-03-02
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A structural expose of noncanonical molecular reactivity within the protein tyrosine phosphatase WPD loop.
Nat Commun, 13, 2022
5BYA
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Crystal structure of the catalytic domain of human diphosphoinositol pentakisphosphate kinase 2 (PPIP5K2) in complex with ADP and 1,5-(PCP)2-IP4
分子名称: 1,2-ETHANEDIOL, ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, ...
著者Wang, H, Shears, S.B.
登録日2015-06-10
公開日2015-07-22
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Synthetic tools for studying the chemical biology of InsP8.
Chem.Commun.(Camb.), 51, 2015
5BYB
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Crystal structure of the catalytic domain of human diphosphoinositol pentakisphosphate kinase 2 (PPIP5K2) in complex with ADP and 1,5-(PA)2-IP4
分子名称: 1,2-ETHANEDIOL, ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, ...
著者Wang, H, Shears, S.B.
登録日2015-06-10
公開日2015-07-22
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Synthetic tools for studying the chemical biology of InsP8.
Chem.Commun.(Camb.), 51, 2015
5DGH
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BU of 5dgh by Molmil
Crystal structure of the catalytic domain of human diphosphoinositol pentakisphosphate kinase 2 (PPIP5K2) in complex with AMP-PNP and 5-(PCP)-IP5
分子名称: 1,2-ETHANEDIOL, ACETATE ION, Inositol hexakisphosphate and diphosphoinositol-pentakisphosphate kinase 2, ...
著者Wang, H, Shears, S.B.
登録日2015-08-27
公開日2016-08-10
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Cellular Cations Control Conformational Switching of Inositol Pyrophosphate Analogues.
Chemistry, 22, 2016
6M89
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Crystal structure of the core catalytic domain of human inositol phosphate multikinase in complex with quercetin
分子名称: 3,5,7,3',4'-PENTAHYDROXYFLAVONE, Inositol polyphosphate multikinase,Inositol polyphosphate multikinase
著者Wang, H, Shears, S.B.
登録日2018-08-21
公開日2019-01-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Inhibition of Inositol Polyphosphate Kinases by Quercetin and Related Flavonoids: A Structure-Activity Analysis.
J. Med. Chem., 62, 2019
6M8D
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Crystal structure of the core catalytic domain of human inositol phosphate multikinase in complex with diosmetin
分子名称: 5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one, Inositol polyphosphate multikinase,Inositol polyphosphate multikinase
著者Wang, H, Shears, S.B.
登録日2018-08-21
公開日2019-01-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Inhibition of Inositol Polyphosphate Kinases by Quercetin and Related Flavonoids: A Structure-Activity Analysis.
J. Med. Chem., 62, 2019
6M8B
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BU of 6m8b by Molmil
Crystal structure of the core catalytic domain of human inositol phosphate multikinase in complex with kaempferol
分子名称: 3,5,7-TRIHYDROXY-2-(4-HYDROXYPHENYL)-4H-CHROMEN-4-ONE, Inositol polyphosphate multikinase,Inositol polyphosphate multikinase
著者Wang, H, Shears, S.B.
登録日2018-08-21
公開日2019-01-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Inhibition of Inositol Polyphosphate Kinases by Quercetin and Related Flavonoids: A Structure-Activity Analysis.
J. Med. Chem., 62, 2019
6M88
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Crystal structure of the core catalytic domain of human inositol phosphate multikinase in complex with myricetin
分子名称: 3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-4H-CHROMEN-4-ONE, Inositol polyphosphate multikinase,Inositol polyphosphate multikinase
著者Wang, H, Shears, S.B.
登録日2018-08-21
公開日2019-01-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Inhibition of Inositol Polyphosphate Kinases by Quercetin and Related Flavonoids: A Structure-Activity Analysis.
J. Med. Chem., 62, 2019
6M8C
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BU of 6m8c by Molmil
Crystal structure of the core catalytic domain of human inositol phosphate multikinase in complex with isorhamnetin
分子名称: Inositol polyphosphate multikinase,Inositol polyphosphate multikinase, isorhamnetin
著者Wang, H, Shears, S.B.
登録日2018-08-21
公開日2019-01-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Inhibition of Inositol Polyphosphate Kinases by Quercetin and Related Flavonoids: A Structure-Activity Analysis.
J. Med. Chem., 62, 2019
6M8A
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BU of 6m8a by Molmil
Crystal structure of the core catalytic domain of human inositol phosphate multikinase in complex with luteolin
分子名称: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one, Inositol polyphosphate multikinase,Inositol polyphosphate multikinase
著者Wang, H, Shears, S.B.
登録日2018-08-21
公開日2019-01-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Inhibition of Inositol Polyphosphate Kinases by Quercetin and Related Flavonoids: A Structure-Activity Analysis.
J. Med. Chem., 62, 2019
6M8E
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BU of 6m8e by Molmil
Crystal structure of the core catalytic domain of human inositol phosphate multikinase in complex with rhamnetin
分子名称: 2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-methoxy-4H-1-benzopyran-4-one, Inositol polyphosphate multikinase,Inositol polyphosphate multikinase
著者Wang, H, Shears, S.B.
登録日2018-08-21
公開日2019-01-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Inhibition of Inositol Polyphosphate Kinases by Quercetin and Related Flavonoids: A Structure-Activity Analysis.
J. Med. Chem., 62, 2019
6N5C
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BU of 6n5c by Molmil
Crystal structure of the catalytic domain of PPIP5K2 in complex with AMPPNP and 5-PCF2Am-InsP5
分子名称: (1,1-difluoro-2-oxo-2-{[(1s,2R,3S,4s,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl]amino}ethyl)phosphonic acid, 1,2-ETHANEDIOL, ACETATE ION, ...
著者Wang, H, Shears, S.B, Riley, A, Potter, B.
登録日2018-11-21
公開日2019-08-21
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Synthesis of an alpha-phosphono-alpha , alpha-difluoroacetamide analogue of the diphosphoinositol pentakisphosphate 5-InsP7.
Medchemcomm, 10, 2019
8T93
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Crystal structure of Terrestrivirus Inositol pyrophosphatase kinase in complex with ADP and scyllo-L-(1,2,3,4)-IP4
分子名称: (1R,2S,3S,4R,5S,6S)-5,6-dihydroxycyclohexane-1,2,3,4-tetrayl tetrakis[dihydrogen (phosphate)], ADENOSINE-5'-DIPHOSPHATE, Kinase, ...
著者Zong, G, Wang, H, Shears, S.B.
登録日2023-06-23
公開日2023-11-15
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Biochemical and structural characterization of an inositol pyrophosphate kinase from a giant virus.
Embo J., 43, 2024
8T97
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Crystal structure of Terrestrivirus Inositol pyrophosphatase kinase in complex with ADP and scyllo-IP6
分子名称: ADENOSINE-5'-DIPHOSPHATE, D-chiro inositol hexakisphosphate, Kinase, ...
著者Zong, G, Wang, H, Shears, S.B.
登録日2023-06-23
公開日2023-11-15
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献Biochemical and structural characterization of an inositol pyrophosphate kinase from a giant virus.
Embo J., 43, 2024
8T8V
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Crystal structure of Terrestrivirus inositol pyrophosphate kinase in complex with ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, Kinase, MAGNESIUM ION, ...
著者Zong, G, Wang, H, Shears, S.B.
登録日2023-06-23
公開日2023-11-15
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Biochemical and structural characterization of an inositol pyrophosphate kinase from a giant virus.
Embo J., 43, 2024
8T8W
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Crystal structure of Terrestrivirus Inositol pyrophosphatase kinase in complex with ATP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, CADMIUM ION, Kinase, ...
著者Zong, G, Wang, H, Shears, S.B.
登録日2023-06-23
公開日2023-11-15
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Biochemical and structural characterization of an inositol pyrophosphate kinase from a giant virus.
Embo J., 43, 2024

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件を2024-08-21に公開中

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