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PDB: 21 件
3T7A
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BU of 3t7a by Molmil
Crystal structure of the catalytic domain of human diphosphoinositol pentakisphosphate kinase 2 (PPIP5K2) in complex with ADP at pH 5.2
分子名称: 1,2-ETHANEDIOL, ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, ...
著者Wang, H, Falck, J, Hall, T.M.T, Shears, S.B.
登録日2011-07-29
公開日2011-12-07
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural basis for an inositol pyrophosphate kinase surmounting phosphate crowding.
Nat.Chem.Biol., 8, 2011
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
4NZN
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BU of 4nzn by Molmil
Crystal structure of the catalytic domain of PPIP5K2 in complex with AMPPNP and 2-O-BN-5-PA-INSP4
分子名称: (2-{[(1s,2R,3R,4r,5S,6S)-4-(benzyloxy)-2,3,5,6-tetrakis(phosphonooxy)cyclohexyl]oxy}-2-oxoethyl)phosphonic acid, Inositol hexakisphosphate and diphosphoinositol-pentakisphosphate kinase 2, MAGNESIUM ION, ...
著者Wang, H, Shears, S.B.
登録日2013-12-12
公開日2014-04-02
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Synthetic Inositol Phosphate Analogs Reveal that PPIP5K2 Has a Surface-Mounted Substrate Capture Site that Is a Target for Drug Discovery.
Chem.Biol., 21, 2014
3T9A
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BU of 3t9a by Molmil
Crystal structure of the catalytic domain of human diphosphoinositol pentakisphosphate kinase 2 (PPIP5K2) in complex with AMPPNP at pH 7.0
分子名称: CADMIUM ION, 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 (1.8 Å)
主引用文献Structural basis for an inositol pyrophosphate kinase surmounting phosphate crowding.
Nat.Chem.Biol., 8, 2011
3T9B
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BU of 3t9b by Molmil
Crystal structure of the catalytic domain of human diphosphoinositol pentakisphosphate kinase 2 (PPIP5K2) in complex with AMPPNP at pH 5.2
分子名称: Inositol Pyrophosphate Kinase, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
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
4Q4D
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BU of 4q4d by Molmil
Crystal structure of the catalytic domain of human diphosphoinositol pentakisphosphate kinase 2 (PPIP5K2) in complex with AMP-PNP and synthetic 3,5-(PP)2-IP4 (3,5-IP8)
分子名称: (1R,3S,4S,5R,6S)-2,4,5,6-tetrakis(phosphonooxy)cyclohexane-1,3-diyl bis[trihydrogen (diphosphate)], Inositol hexakisphosphate and diphosphoinositol-pentakisphosphate kinase 2, MAGNESIUM ION, ...
著者Wang, H, Shears, S.B.
登録日2014-04-14
公開日2014-08-06
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Synthesis of Densely Phosphorylated Bis-1,5-Diphospho-myo-Inositol Tetrakisphosphate and its Enantiomer by Bidirectional P-Anhydride Formation.
Angew.Chem.Int.Ed.Engl., 53, 2014
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
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
4HN2
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BU of 4hn2 by Molmil
Crystal structure of the catalytic domain of human diphosphoinositol pentakisphosphate kinase 2 (PPIP5K2) in complex with AMPPNP and a substrate analog 5PA-IP5
分子名称: (2-oxo-2-{[(1s,2R,3S,4s,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl]oxy}ethyl)phosphonic acid, Inositol hexakisphosphate and diphosphoinositol-pentakisphosphate kinase 2, MAGNESIUM ION, ...
著者Wang, H.
登録日2012-10-18
公開日2012-10-31
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献First synthetic analogues of diphosphoinositol polyphosphates: interaction with PP-InsP(5) kinase.
Chem.Commun.(Camb.), 48, 2012
4Q4C
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BU of 4q4c by Molmil
Crystal structure of the catalytic domain of human diphosphoinositol pentakisphosphate kinase 2 (PPIP5K2) in complex with ADP and synthetic 1,5-(PP)2-IP4 (1,5-IP8)
分子名称: (1R,3S,4R,5S,6R)-2,4,5,6-tetrakis(phosphonooxy)cyclohexane-1,3-diyl bis[trihydrogen (diphosphate)], ADENOSINE-5'-DIPHOSPHATE, Inositol hexakisphosphate and diphosphoinositol-pentakisphosphate kinase 2, ...
著者Wang, H, Shears, S.B.
登録日2014-04-14
公開日2014-08-06
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Synthesis of Densely Phosphorylated Bis-1,5-Diphospho-myo-Inositol Tetrakisphosphate and its Enantiomer by Bidirectional P-Anhydride Formation.
Angew.Chem.Int.Ed.Engl., 53, 2014
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
3T54
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BU of 3t54 by Molmil
Crystal structure of the catalytic domain of human diphosphoinositol pentakisphosphate kinase 2 (PPIP5K2) in complex with ATP and Cadmium
分子名称: ADENOSINE-5'-TRIPHOSPHATE, CADMIUM ION, Inositol Pyrophosphate Kinase
著者Wang, H, Falck, J, Hall, T.M.T, Shears, S.B.
登録日2011-07-26
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
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
4NZO
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BU of 4nzo by Molmil
Crystal structure of the catalytic domain of PPIP5K2 in complex with AMPPNP and 2,5-DI-O-BN-INSP4
分子名称: (1R,2R,3r,4S,5S,6s)-3,6-bis(benzyloxy)cyclohexane-1,2,4,5-tetrayl tetrakis[dihydrogen (phosphate)], Inositol hexakisphosphate and diphosphoinositol-pentakisphosphate kinase 2, MAGNESIUM ION, ...
著者Wang, H, Shears, S.B.
登録日2013-12-12
公開日2014-04-02
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Synthetic Inositol Phosphate Analogs Reveal that PPIP5K2 Has a Surface-Mounted Substrate Capture Site that Is a Target for Drug Discovery.
Chem.Biol., 21, 2014
3T9C
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BU of 3t9c by Molmil
Crystal structure of the catalytic domain of human diphosphoinositol pentakisphosphate kinase 2 (PPIP5K2) in complex with AMPPNP and inositol hexakisphosphate (IP6)
分子名称: INOSITOL HEXAKISPHOSPHATE, 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2023-09-13
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
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
3T9F
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BU of 3t9f by Molmil
Crystal structure of the catalytic domain of human diphosphoinositol pentakisphosphate kinase 2 (PPIP5K2) in complex with ADP and 1,5-(PP)2-IP4 (1,5-IP8)
分子名称: (1R,3S,4R,5S,6R)-2,4,5,6-tetrakis(phosphonooxy)cyclohexane-1,3-diyl bis[trihydrogen (diphosphate)], ADENOSINE-5'-DIPHOSPHATE, CADMIUM 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 (2 Å)
主引用文献Structural basis for an inositol pyrophosphate kinase surmounting phosphate crowding.
Nat.Chem.Biol., 8, 2011
4NZM
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BU of 4nzm by Molmil
Crystal structure of the catalytic domain of PPIP5K2 in complex with AMPPNP and 5-PA-InsP5
分子名称: (2-oxo-2-{[(1s,2R,3S,4s,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl]oxy}ethyl)phosphonic acid, Inositol hexakisphosphate and diphosphoinositol-pentakisphosphate kinase 2, MAGNESIUM ION, ...
著者Wang, H, Shears, S.B.
登録日2013-12-12
公開日2014-04-02
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Synthetic Inositol Phosphate Analogs Reveal that PPIP5K2 Has a Surface-Mounted Substrate Capture Site that Is a Target for Drug Discovery.
Chem.Biol., 21, 2014
3T99
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BU of 3t99 by Molmil
Crystal structure of the catalytic domain of human diphosphoinositol pentakisphosphate kinase 2 (PPIP5K2) in complex with ADP and in the absence of cadmium at pH 7.0
分子名称: ADENOSINE-5'-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 (2.1 Å)
主引用文献Structural basis for an inositol pyrophosphate kinase surmounting phosphate crowding.
Nat.Chem.Biol., 8, 2011
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
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

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