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
|
|
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
|
|
4O4C
 | |
4NZO
 | | Crystal structure of the catalytic domain of PPIP5K2 in complex with AMPPNP and 2,5-DI-O-BN-INSP4 | | Descriptor: | (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, ... | | Authors: | Wang, H, Shears, S.B. | | Deposit date: | 2013-12-12 | | Release date: | 2014-04-02 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | 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
|
|
4O4F
 | |
8G9D
 | | Diphosphoinositol polyphosphate phosphohydrolase 1 (DIPP1/NUDT3) in complex with 5- phosphonodifluoroacetamide inositol pentakisphosphate (5-PCF2Am-InsP5), an analogue of 5-InsP7 | | 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, Diphosphoinositol polyphosphate phosphohydrolase 1 | | Authors: | Zong, G, Wang, H, Shears, S. | | Deposit date: | 2023-02-21 | | Release date: | 2024-01-03 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Fluorination Influences the Bioisostery of Myo-Inositol Pyrophosphate Analogs.
Chemistry, 29, 2023
|
|
8G9C
 | | Diphosphoinositol polyphosphate phosphohydrolase 1 (DIPP1/NUDT3) in complex with 5- difluoromethylenebisphosphonate inositol pentakisphosphate (5-PCF2P-IP5), an analogue of 5-InsP7 | | Descriptor: | CHLORIDE ION, Diphosphoinositol polyphosphate phosphohydrolase 1, FLUORIDE ION, ... | | Authors: | Zong, G, Wang, H, Shears, S. | | Deposit date: | 2023-02-21 | | Release date: | 2024-01-03 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Fluorination Influences the Bioisostery of Myo-Inositol Pyrophosphate Analogs.
Chemistry, 29, 2023
|
|
8TYV
 | | Crystal structure of the SPX domain of XPR1 in complex with IP8 | | Descriptor: | (1R,3S,4R,5S,6R)-2,4,5,6-tetrakis(phosphonooxy)cyclohexane-1,3-diyl bis[trihydrogen (diphosphate)], Solute carrier family 53 member 1 | | Authors: | Wang, H, Shears, S.B. | | Deposit date: | 2023-08-25 | | Release date: | 2024-06-12 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Co-ordination of cellular phosphate uptake and efflux requires an organelle-based receptor for the inositol pyrophosphate, IP8
To Be Published
|
|
8TYU
 | |
2Q7D
 | | Crystal Structure of Human Inositol 1,3,4-Trisphosphate 5/6-kinase (ITPK1) in complex with AMPPNP and Mn2+ | | Descriptor: | Inositol-tetrakisphosphate 1-kinase, MANGANESE (II) ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | | Authors: | Chamberlain, P.P, Lesley, S.A, Spraggon, G. | | Deposit date: | 2007-06-06 | | Release date: | 2007-07-03 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Integration of inositol phosphate signaling pathways via human ITPK1.
J.Biol.Chem., 282, 2007
|
|
2QB5
 | | Crystal Structure of Human Inositol 1,3,4-Trisphosphate 5/6-Kinase (ITPK1) in Complex with ADP and Mn2+ | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Inositol-tetrakisphosphate 1-kinase, MANGANESE (II) ION, ... | | Authors: | Chamberlain, P.P, Lesley, S.A, Spraggon, G. | | Deposit date: | 2007-06-15 | | Release date: | 2007-07-03 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Integration of inositol phosphate signaling pathways via human ITPK1.
J.Biol.Chem., 282, 2007
|
|
6WOB
 | | Diphosphoinositol polyphosphate phosphohydrolase 1 (DIPP1/NUDT3) in complex with 4-diphosphoinositol pentakisphosphate (4-IP7), Mg, and Fluoride ion | | Descriptor: | (1S,2R,3S,4S,5S,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate, CHLORIDE ION, Diphosphoinositol polyphosphate phosphohydrolase 1, ... | | Authors: | Zong, G.N, Wang, H.C, Shears, B.S. | | Deposit date: | 2020-04-24 | | Release date: | 2021-03-03 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | New structural insights reveal an expanded reaction cycle for inositol pyrophosphate hydrolysis by human DIPP1.
Faseb J., 35, 2021
|
|
4FDU
 | | Crystal Structure of a Multiple Inositol Polyphosphate Phosphatase | | Descriptor: | 1,2-ETHANEDIOL, D-MYO-INOSITOL-HEXASULPHATE, Putative multiple inositol polyphosphate histidine phosphatase 1 | | Authors: | Li, A.W.H, Hemmings, A.M. | | Deposit date: | 2012-05-29 | | Release date: | 2014-01-29 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.293 Å) | | Cite: | A Bacterial Homolog of a Eukaryotic Inositol Phosphate Signaling Enzyme Mediates Cross-kingdom Dialog in the Mammalian Gut.
Cell Rep, 6, 2014
|
|
4FDT
 | | Crystal Structure of a Multiple Inositol Polyphosphate Phosphatase | | Descriptor: | 1,2-ETHANEDIOL, PHOSPHATE ION, Putative multiple inositol polyphosphate histidine phosphatase 1 | | Authors: | Li, A.W.H, Hemmings, A.M. | | Deposit date: | 2012-05-29 | | Release date: | 2014-01-29 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | A Bacterial Homolog of a Eukaryotic Inositol Phosphate Signaling Enzyme Mediates Cross-kingdom Dialog in the Mammalian Gut.
Cell Rep, 6, 2014
|
|
4HN2
 | | Crystal structure of the catalytic domain of human diphosphoinositol pentakisphosphate kinase 2 (PPIP5K2) in complex with AMPPNP and a substrate analog 5PA-IP5 | | Descriptor: | (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, ... | | Authors: | Wang, H. | | Deposit date: | 2012-10-18 | | Release date: | 2012-10-31 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | First synthetic analogues of diphosphoinositol polyphosphates: interaction with PP-InsP(5) kinase.
Chem.Commun.(Camb.), 48, 2012
|
|
