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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
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
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BU of 4o4f by Molmil
Crystal Structure of an Inositol hexakisphosphate kinase EhIP6KA in complexed with ATP and InsP6
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, INOSITOL HEXAKISPHOSPHATE, Inositol hexakisphosphate kinase, ...
Authors:Wang, H, Shears, S.B.
Deposit date:2013-12-18
Release date:2014-06-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:IP6K structure and the molecular determinants of catalytic specificity in an inositol phosphate kinase family.
Nat Commun, 5, 2014
8T93
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BU of 8t93 by Molmil
Crystal structure of Terrestrivirus Inositol pyrophosphatase kinase in complex with ADP and scyllo-L-(1,2,3,4)-IP4
Descriptor: (1R,2S,3S,4R,5S,6S)-5,6-dihydroxycyclohexane-1,2,3,4-tetrayl tetrakis[dihydrogen (phosphate)], ADENOSINE-5'-DIPHOSPHATE, Kinase, ...
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 (1.95 Å)
Cite:Biochemical and structural characterization of an inositol pyrophosphate kinase from a giant virus.
Embo J., 43, 2024
8T96
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BU of 8t96 by Molmil
Crystal structure of Terrestrivirus Inositol pyrophosphatase kinase in complex with ADP and scyllo-IP5
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 (2.36 Å)
Cite:Biochemical and structural characterization of an inositol pyrophosphate kinase from a giant virus.
Embo J., 43, 2024
8T99
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BU of 8t99 by Molmil
Diphosphoinositol polyphosphate phosphohydrolase 1 (DIPP1/NUDT3) in complex with Scyllo-L-1,4-[PP]2-(2,3)IP2, Mg, and Fluoride ion
Descriptor: (1R,2S,3S,4R,5S,6S)-2,3-dihydroxy-5,6-bis(phosphonooxy)cyclohexane-1,4-diyl bis[trihydrogen (diphosphate)], CHLORIDE ION, Diphosphoinositol polyphosphate phosphohydrolase 1, ...
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 (1.5 Å)
Cite:Biochemical and structural characterization of an inositol pyrophosphate kinase from a giant virus.
Embo J., 43, 2024
8T97
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BU of 8t97 by Molmil
Crystal structure of Terrestrivirus Inositol pyrophosphatase kinase in complex with ADP and scyllo-IP6
Descriptor: ADENOSINE-5'-DIPHOSPHATE, D-chiro inositol hexakisphosphate, Kinase, ...
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 (2.46 Å)
Cite:Biochemical and structural characterization of an inositol pyrophosphate kinase from a giant virus.
Embo J., 43, 2024
8T98
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BU of 8t98 by Molmil
Diphosphoinositol polyphosphate phosphohydrolase 1 (DIPP1/NUDT3) in complex with Scyllo-3-PP-(1,2,4,5)IP4, Mg, and Fluoride ion
Descriptor: (1r,2R,3S,4r,5R,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:2023-06-23
Release date:2023-11-15
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Biochemical and structural characterization of an inositol pyrophosphate kinase from a giant virus.
Embo J., 43, 2024
8T92
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BU of 8t92 by Molmil
Crystal structure of Terrestrivirus Inositol pyrophosphatase kinase in complex with ADP and scyllo-D-(1,2,3,4)-IP4
Descriptor: (1S,2R,3R,4S,5R,6R)-5,6-dihydroxycyclohexane-1,2,3,4-tetrayl tetrakis[dihydrogen (phosphate)], ADENOSINE-5'-DIPHOSPHATE, Kinase, ...
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 (2.3 Å)
Cite:Biochemical and structural characterization of an inositol pyrophosphate kinase from a giant virus.
Embo J., 43, 2024
8TF9
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BU of 8tf9 by Molmil
Diphosphoinositol polyphosphate phosphohydrolase 1 (DIPP1/NUDT3) in complex with myo-5-IP7, produced upon myo-IP6 phosphorylation by TvI
Descriptor: (1r,2R,3S,4s,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate, CHLORIDE ION, Diphosphoinositol polyphosphate phosphohydrolase 1, ...
Authors:Zong, G, Wang, H, Shears, S.B.
Deposit date:2023-07-09
Release date:2023-11-15
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Biochemical and structural characterization of an inositol pyrophosphate kinase from a giant virus.
Embo J., 43, 2024
8T90
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BU of 8t90 by Molmil
Crystal structure of Terrestrivirus Inositol pyrophosphatase kinase in complex with ADP and myo-(3OH)IP5
Descriptor: (1R,2R,3R,4S,5R,6R)-6-hydroxycyclohexane-1,2,3,4,5-pentayl pentakis[dihydrogen (phosphate)], ADENOSINE-5'-DIPHOSPHATE, Kinase, ...
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 (2.3 Å)
Cite:Biochemical and structural characterization of an inositol pyrophosphate kinase from a giant virus.
Embo J., 43, 2024
8T91
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BU of 8t91 by Molmil
Crystal structure of Terrestrivirus Inositol pyrophosphatase kinase in complex with ADP and myo-IP6
Descriptor: ADENOSINE-5'-DIPHOSPHATE, INOSITOL HEXAKISPHOSPHATE, Kinase, ...
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 (2.56 Å)
Cite:Biochemical and structural characterization of an inositol pyrophosphate kinase from a giant virus.
Embo J., 43, 2024
8T95
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BU of 8t95 by Molmil
Crystal structure of Terrestrivirus Inositol pyrophosphatase kinase in complex with ADP and scyllo-(1,2,4,5)-IP4
Descriptor: (1S,3R,4R,6S)-1,3,4,6-TETRAPKISPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, Kinase, ...
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 (2.61 Å)
Cite:Biochemical and structural characterization of an inositol pyrophosphate kinase from a giant virus.
Embo J., 43, 2024
8T8V
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BU of 8t8v by Molmil
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
8T8W
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BU of 8t8w by Molmil
Crystal structure of Terrestrivirus Inositol pyrophosphatase kinase in complex with ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CADMIUM ION, Kinase, ...
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 (2 Å)
Cite:Biochemical and structural characterization of an inositol pyrophosphate kinase from a giant virus.
Embo J., 43, 2024
8T8Y
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BU of 8t8y by Molmil
Crystal structure of Terrestrivirus inositol pyrophosphate kinase in complex with ADP and 1,4,5-InsP3
Descriptor: ADENOSINE-5'-DIPHOSPHATE, D-MYO-INOSITOL-1,4,5-TRIPHOSPHATE, Kinase, ...
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 (2.5 Å)
Cite:Biochemical and structural characterization of an inositol pyrophosphate kinase from a giant virus.
Embo J., 43, 2024
8TFA
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BU of 8tfa by Molmil
Diphosphoinositol polyphosphate phosphohydrolase 1 (DIPP1/NUDT3) in complex with myo-5-PP-IP4, produced upon myo-(2OH)-IP5 phosphorylation by TvIPK
Descriptor: (1r,2R,3S,4r,5R,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:2023-07-09
Release date:2023-11-15
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Biochemical and structural characterization of an inositol pyrophosphate kinase from a giant virus.
Embo J., 43, 2024
8T8U
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BU of 8t8u by Molmil
Crystal structure of Terrestrivirus full-length 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 (2.01 Å)
Cite:Biochemical and structural characterization of an inositol pyrophosphate kinase from a giant virus.
Embo J., 43, 2024
8T8X
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BU of 8t8x by Molmil
Crystal structure of Terrestrivirus inositol pyrophosphate kinase in complex with AMP-PNP
Descriptor: CADMIUM ION, Kinase, PHOSPHATE 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 (2.59 Å)
Cite:Biochemical and structural characterization of an inositol pyrophosphate kinase from a giant virus.
Embo J., 43, 2024
8T8Z
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BU of 8t8z by Molmil
Crystal structure of Terrestrivirus Inositol pyrophosphatase kinase in complex with ADP and myo-(1OH)IP5
Descriptor: (1S,2R,3S,4S,5S,6S)-6-hydroxycyclohexane-1,2,3,4,5-pentayl pentakis[dihydrogen (phosphate)], ADENOSINE-5'-DIPHOSPHATE, Kinase, ...
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 (2.6 Å)
Cite:Biochemical and structural characterization of an inositol pyrophosphate kinase from a giant virus.
Embo J., 43, 2024
8TYV
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BU of 8tyv by Molmil
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
Last modified:2024-12-25
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Homeostatic coordination of cellular phosphate uptake and efflux requires an organelle-based receptor for the inositol pyrophosphate IP8.
Cell Rep, 43, 2024
8TYU
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BU of 8tyu by Molmil
High-resolution crystal structure of the SPX domain of XPR1 at 1.4 angstroms
Descriptor: Solute carrier family 53 member 1
Authors:Wang, H, Shears, S.B.
Deposit date:2023-08-25
Release date:2024-06-12
Last modified:2024-12-25
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Homeostatic coordination of cellular phosphate uptake and efflux requires an organelle-based receptor for the inositol pyrophosphate IP8.
Cell Rep, 43, 2024
8G9D
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BU of 8g9d by Molmil
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
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BU of 8g9c by Molmil
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
9DN3
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BU of 9dn3 by Molmil
Crystal Structure of Human Inositol 1,3,4-Trisphosphate 5/6-kinase (ITPK1) in Complex with an Inhibitor 9-cylcopentyladenine
Descriptor: 9-cyclopentyl-9H-purin-6-amine, Inositol-tetrakisphosphate 1-kinase, SULFATE ION
Authors:Wang, H.
Deposit date:2024-09-16
Release date:2025-02-19
Last modified:2025-03-19
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Biochemical and biophysical characterization of inositol-tetrakisphosphate 1-kinase inhibitors.
J.Biol.Chem., 301, 2025
2QB5
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BU of 2qb5 by Molmil
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

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