6M89
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![BU of 6m89 by Molmil](/molmil-images/mine/6m89) | Crystal structure of the core catalytic domain of human inositol phosphate multikinase in complex with quercetin | Descriptor: | 3,5,7,3',4'-PENTAHYDROXYFLAVONE, Inositol polyphosphate multikinase,Inositol polyphosphate multikinase | Authors: | Wang, H, Shears, S.B. | Deposit date: | 2018-08-21 | Release date: | 2019-01-23 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Inhibition of Inositol Polyphosphate Kinases by Quercetin and Related Flavonoids: A Structure-Activity Analysis. J. Med. Chem., 62, 2019
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6M8D
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6M8B
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5W2G
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5W2H
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![BU of 5w2h by Molmil](/molmil-images/mine/5w2h) | Crystal structure of the core catalytic domain of human inositol phosphate multikinase in complex with Ins(1,4,5)P3 and ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, D-MYO-INOSITOL-1,4,5-TRIPHOSPHATE, Inositol polyphosphate multikinase,Inositol polyphosphate multikinase, ... | Authors: | Wang, H, Shears, S.B. | Deposit date: | 2017-06-06 | Release date: | 2017-09-13 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural features of human inositol phosphate multikinase rationalize its inositol phosphate kinase and phosphoinositide 3-kinase activities. J. Biol. Chem., 292, 2017
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8G9E
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6BYF
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7TN5
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7TN6
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7TN4
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![BU of 7tn4 by Molmil](/molmil-images/mine/7tn4) | Diphosphoinositol polyphosphate phosphohydrolase 1 (DIPP1/NUDT3) in complex with 3-diphosphoinositol 1,2,4,5-tetrakisphosphate (3-PP-IP4), Mg and Fluoride ion | Descriptor: | (1R,2S,3R,4R,5S,6S)-4-hydroxy-2,3,5,6-tetrakis(phosphonooxy)cyclohexyl trihydrogen diphosphate, CHLORIDE ION, Diphosphoinositol polyphosphate phosphohydrolase 1, ... | Authors: | Zong, G, Wang, H, Shears, S.B. | Deposit date: | 2022-01-20 | Release date: | 2022-06-15 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural and catalytic analyses of the InsP 6 kinase activities of higher plant ITPKs. Faseb J., 36, 2022
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7TN8
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7TN3
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7TN7
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4Q4C
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![BU of 4q4c by Molmil](/molmil-images/mine/4q4c) | 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) | Descriptor: | (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, ... | Authors: | Wang, H, Shears, S.B. | Deposit date: | 2014-04-14 | Release date: | 2014-08-06 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | 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
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4Q4D
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![BU of 4q4d by Molmil](/molmil-images/mine/4q4d) | 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) | Descriptor: | (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, ... | Authors: | Wang, H, Shears, S.B. | Deposit date: | 2014-04-14 | Release date: | 2014-08-06 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | 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
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5BYB
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![BU of 5byb by Molmil](/molmil-images/mine/5byb) | Crystal structure of the catalytic domain of human diphosphoinositol pentakisphosphate kinase 2 (PPIP5K2) in complex with ADP and 1,5-(PA)2-IP4 | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, ... | Authors: | Wang, H, Shears, S.B. | Deposit date: | 2015-06-10 | Release date: | 2015-07-22 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Synthetic tools for studying the chemical biology of InsP8. Chem.Commun.(Camb.), 51, 2015
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5BYA
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![BU of 5bya by Molmil](/molmil-images/mine/5bya) | Crystal structure of the catalytic domain of human diphosphoinositol pentakisphosphate kinase 2 (PPIP5K2) in complex with ADP and 1,5-(PCP)2-IP4 | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, ... | Authors: | Wang, H, Shears, S.B. | Deposit date: | 2015-06-10 | Release date: | 2015-07-22 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Synthetic tools for studying the chemical biology of InsP8. Chem.Commun.(Camb.), 51, 2015
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5DGH
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5DGI
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![BU of 5dgi by Molmil](/molmil-images/mine/5dgi) | Crystal structure of the catalytic domain of human diphosphoinositol pentakisphosphate kinase 2 (PPIP5K2) in complex with ADP and 3,5-(PCP)2-IP4 | Descriptor: | 1,2-ETHANEDIOL, 3,5-di-methylenebisphosphonate inositol tetrakisphosphate, ACETATE ION, ... | Authors: | Wang, H, Shears, S.B. | Deposit date: | 2015-08-27 | Release date: | 2016-08-10 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Cellular Cations Control Conformational Switching of Inositol Pyrophosphate Analogues. Chemistry, 22, 2016
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6M88
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![BU of 6m88 by Molmil](/molmil-images/mine/6m88) | Crystal structure of the core catalytic domain of human inositol phosphate multikinase in complex with myricetin | Descriptor: | 3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-4H-CHROMEN-4-ONE, Inositol polyphosphate multikinase,Inositol polyphosphate multikinase | Authors: | Wang, H, Shears, S.B. | Deposit date: | 2018-08-21 | Release date: | 2019-01-23 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Inhibition of Inositol Polyphosphate Kinases by Quercetin and Related Flavonoids: A Structure-Activity Analysis. J. Med. Chem., 62, 2019
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6M8C
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6M8E
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6M8A
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6N5C
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![BU of 6n5c by Molmil](/molmil-images/mine/6n5c) | Crystal structure of the catalytic domain of PPIP5K2 in complex with AMPPNP and 5-PCF2Am-InsP5 | Descriptor: | (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, ... | Authors: | Wang, H, Shears, S.B, Riley, A, Potter, B. | Deposit date: | 2018-11-21 | Release date: | 2019-08-21 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Synthesis of an alpha-phosphono-alpha , alpha-difluoroacetamide analogue of the diphosphoinositol pentakisphosphate 5-InsP7. Medchemcomm, 10, 2019
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8T8V
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![BU of 8t8v by Molmil](/molmil-images/mine/8t8v) | Crystal structure of Terrestrivirus inositol pyrophosphate kinase in complex with ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Kinase, MAGNESIUM ION, ... | Authors: | Zong, G, Wang, H, Shears, S.B. | Deposit date: | 2023-06-23 | Release date: | 2023-11-15 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Biochemical and structural characterization of an inositol pyrophosphate kinase from a giant virus. Embo J., 43, 2024
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