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5BYA
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BU of 5bya by Molmil
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
6BYF
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BU of 6byf by Molmil
Crystal structure of the core catalytic domain of PP-IP phosphatase SIW14 from S. cerevisiae in complex with citrate
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, CITRIC ACID, ...
著者Wang, H, Shears, S.B.
登録日2017-12-20
公開日2018-03-21
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structural and biochemical characterization of Siw14: A protein-tyrosine phosphatase fold that metabolizes inositol pyrophosphates.
J. Biol. Chem., 293, 2018
5BYB
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BU of 5byb by Molmil
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
8G9E
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BU of 8g9e by Molmil
Crystal structure of the catalytic domain of human diphosphoinositol pentakisphosphate kinase 2 (PPIP5K2) in complex with AMP-PNP and 5-(PCF2P)-IP5, an analog of 5-IP7
分子名称: Inositol hexakisphosphate and diphosphoinositol-pentakisphosphate kinase 2, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
著者Wang, H, Shears, S.B.
登録日2023-02-21
公開日2024-01-03
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Fluorination Influences the Bioisostery of Myo-Inositol Pyrophosphate Analogs.
Chemistry, 29, 2023
5DGI
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BU of 5dgi by Molmil
Crystal structure of the catalytic domain of human diphosphoinositol pentakisphosphate kinase 2 (PPIP5K2) in complex with ADP and 3,5-(PCP)2-IP4
分子名称: 1,2-ETHANEDIOL, 3,5-di-methylenebisphosphonate inositol tetrakisphosphate, ACETATE ION, ...
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 (1.85 Å)
主引用文献Cellular Cations Control Conformational Switching of Inositol Pyrophosphate Analogues.
Chemistry, 22, 2016
7TN5
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BU of 7tn5 by Molmil
Crystal structure of Zea mays Inositol-tetrakisphosphate Kinase 1 (ITPK1)
分子名称: CHLORIDE ION, Inositol-tetrakisphosphate 1-kinase 1
著者Zong, G, Wang, H, Shears, S.B.
登録日2022-01-20
公開日2022-06-15
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural and catalytic analyses of the InsP 6 kinase activities of higher plant ITPKs.
Faseb J., 36, 2022
7TN6
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BU of 7tn6 by Molmil
Crystal structure of Zea mays Inositol-tetrakisphosphate Kinase 1 mutant (ZmITPK1-H192A)
分子名称: CHLORIDE ION, Inositol-tetrakisphosphate 1-kinase 1
著者Zong, G, Wang, H, Shears, S.B.
登録日2022-01-20
公開日2022-06-15
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Structural and catalytic analyses of the InsP 6 kinase activities of higher plant ITPKs.
Faseb J., 36, 2022
7TN4
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BU of 7tn4 by Molmil
Diphosphoinositol polyphosphate phosphohydrolase 1 (DIPP1/NUDT3) in complex with 3-diphosphoinositol 1,2,4,5-tetrakisphosphate (3-PP-IP4), Mg and Fluoride ion
分子名称: (1R,2S,3R,4R,5S,6S)-4-hydroxy-2,3,5,6-tetrakis(phosphonooxy)cyclohexyl trihydrogen diphosphate, CHLORIDE ION, Diphosphoinositol polyphosphate phosphohydrolase 1, ...
著者Zong, G, Wang, H, Shears, S.B.
登録日2022-01-20
公開日2022-06-15
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural and catalytic analyses of the InsP 6 kinase activities of higher plant ITPKs.
Faseb J., 36, 2022
7TN8
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BU of 7tn8 by Molmil
Crystal structure of Zea mays Inositol-tetrakisphosphate Kinase 1 mutant (ZmITPK1-H192A) in complex with InsP6
分子名称: CHLORIDE ION, INOSITOL HEXAKISPHOSPHATE, Inositol-tetrakisphosphate 1-kinase 1
著者Zong, G, Wang, H, Shears, S.B.
登録日2022-01-20
公開日2022-06-15
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural and catalytic analyses of the InsP 6 kinase activities of higher plant ITPKs.
Faseb J., 36, 2022
7TN3
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BU of 7tn3 by Molmil
Crystal structure of Zea mays Inositol-tetrakisphosphate Kinase 1 mutant (ZmITPK1-F189A/H192A)
分子名称: CHLORIDE ION, Inositol-tetrakisphosphate 1-kinase 1
著者Zong, G, Wang, H, Shears, S.B.
登録日2022-01-20
公開日2022-06-15
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural and catalytic analyses of the InsP 6 kinase activities of higher plant ITPKs.
Faseb J., 36, 2022
7TN7
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BU of 7tn7 by Molmil
Crystal structure of Zea mays Inositol-tetrakisphosphate Kinase 1 mutant (ZmITPK1 residues 18-218-Gly-Ser-Gly-Ser-Gly-248-328)
分子名称: CHLORIDE ION, Inositol-tetrakisphosphate 1-kinase 1, PHOSPHATE ION
著者Zong, G, Wang, H, Shears, S.B.
登録日2022-01-20
公開日2022-06-15
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structural and catalytic analyses of the InsP 6 kinase activities of higher plant ITPKs.
Faseb J., 36, 2022
6M89
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BU of 6m89 by Molmil
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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BU of 6m8d by Molmil
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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BU of 6m88 by Molmil
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
3T9D
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BU of 3t9d by Molmil
Crystal structure of the catalytic domain of human diphosphoinositol pentakisphosphate kinase 2 (PPIP5K2) in complex with AMPPNP and 5-(PP)-IP5 (5-IP7)
分子名称: (1r,2R,3S,4s,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate, Inositol Pyrophosphate Kinase, MAGNESIUM ION, ...
著者Wang, H, Falck, J, Hall, T.M.T, Shears, S.B.
登録日2011-08-02
公開日2011-12-07
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural basis for an inositol pyrophosphate kinase surmounting phosphate crowding.
Nat.Chem.Biol., 8, 2011
3T9E
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BU of 3t9e by Molmil
Crystal structure of the catalytic domain of human diphosphoinositol pentakisphosphate kinase 2 (PPIP5K2) in complex with ADP, 5-(PP)-IP5 (5-IP7) and MgF3 (transition state mimic)
分子名称: (1r,2R,3S,4s,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate, ADENOSINE-5'-DIPHOSPHATE, Inositol Pyrophosphate Kinase, ...
著者Wang, H, Falck, J, Hall, T.M.T, Shears, S.B.
登録日2011-08-02
公開日2011-12-07
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural basis for an inositol pyrophosphate kinase surmounting phosphate crowding.
Nat.Chem.Biol., 8, 2011
5W2G
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BU of 5w2g by Molmil
Crystal structure of the core catalytic domain of human inositol phosphate multikinase
分子名称: Inositol polyphosphate multikinase,Inositol polyphosphate multikinase
著者Wang, H, Shears, S.B.
登録日2017-06-06
公開日2017-09-13
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural features of human inositol phosphate multikinase rationalize its inositol phosphate kinase and phosphoinositide 3-kinase activities.
J. Biol. Chem., 292, 2017
5W2H
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BU of 5w2h by Molmil
Crystal structure of the core catalytic domain of human inositol phosphate multikinase in complex with Ins(1,4,5)P3 and ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, D-MYO-INOSITOL-1,4,5-TRIPHOSPHATE, Inositol polyphosphate multikinase,Inositol polyphosphate multikinase, ...
著者Wang, H, Shears, S.B.
登録日2017-06-06
公開日2017-09-13
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural features of human inositol phosphate multikinase rationalize its inositol phosphate kinase and phosphoinositide 3-kinase activities.
J. Biol. Chem., 292, 2017
5W2I
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BU of 5w2i by Molmil
Crystal structure of the core catalytic domain of human inositol phosphate multikinase soaked with C4-analogue of PtdIns(4,5)P2 and ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, D-MYO-INOSITOL-1,4,5-TRIPHOSPHATE, Inositol polyphosphate multikinase,Inositol polyphosphate multikinase, ...
著者Wang, H, Shears, S.B.
登録日2017-06-06
公開日2017-09-13
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural features of human inositol phosphate multikinase rationalize its inositol phosphate kinase and phosphoinositide 3-kinase activities.
J. Biol. Chem., 292, 2017
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
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
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

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