6FL8
 
 | | Inositol 1,3,4,5,6-pentakisphosphate 2-kinase from A. thaliana in complex with purpurogallin and ADP | | 分子名称: | 1,2-ETHANEDIOL, 2,3,4,6-tetrahydroxy-5H-benzo[7]annulen-5-one, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | | 著者 | Whitfield, H.L, Brearley, C.A, Hemmings, A.M. | | 登録日 | 2018-01-25 | | 公開日 | 2018-09-12 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | A Fluorescent Probe Identifies Active Site Ligands of Inositol Pentakisphosphate 2-Kinase.
J. Med. Chem., 61, 2018
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6E8P
 | | CA IX mimic Complexed with Steroidal Sulfamate Compound STX 49 | | 分子名称: | (14beta,17beta)-estra-1(10),2,4,6,8-pentaene-3,17-diyl disulfamate, Carbonic anhydrase 2, ZINC ION | | 著者 | Andring, J.T, Mckenna, R. | | 登録日 | 2018-07-30 | | 公開日 | 2019-04-03 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | 3,17 beta-Bis-sulfamoyloxy-2-methoxyestra-1,3,5(10)-triene and Nonsteroidal Sulfamate Derivatives Inhibit Carbonic Anhydrase IX: Structure-Activity Optimization for Isoform Selectivity.
J. Med. Chem., 62, 2019
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6FL3
 | | Inositol 1,3,4,5,6-pentakisphosphate 2-kinase from A. thaliana in complex with myo-IP5 and ADP | | 分子名称: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-5'-DIPHOSPHATE, Inositol-pentakisphosphate 2-kinase, ... | | 著者 | Whitfield, H.L, Brearley, C.A, Hemmings, A.M. | | 登録日 | 2018-01-25 | | 公開日 | 2018-09-12 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.36 Å) | | 主引用文献 | A Fluorescent Probe Identifies Active Site Ligands of Inositol Pentakisphosphate 2-Kinase.
J. Med. Chem., 61, 2018
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6FJK
 | | Inositol 1,3,4,5,6-pentakisphosphate 2-kinase from A. thaliana in complex with myo-IP6 and ADP | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-5'-DIPHOSPHATE, INOSITOL HEXAKISPHOSPHATE, ... | | 著者 | Whitfield, H.L, Brearley, C.A, Hemmings, A.M. | | 登録日 | 2018-01-22 | | 公開日 | 2018-09-12 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.025 Å) | | 主引用文献 | A Fluorescent Probe Identifies Active Site Ligands of Inositol Pentakisphosphate 2-Kinase.
J. Med. Chem., 61, 2018
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8PPG
 | | Human inositol 1,4,5-trisphosphate 3-kinase A (IP3K) catalytic domain in complex with beta-D-glucopyranosyl 1,3,4,6-tetrakisphosphate/ADP/Mn after reaction | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Inositol-trisphosphate 3-kinase A, MANGANESE (II) ION, ... | | 著者 | Marquez-Monino, M.A, Gonzalez, B. | | 登録日 | 2023-07-07 | | 公開日 | 2024-02-28 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Substrate promiscuity of inositol 1,4,5-trisphosphate kinase driven by structurally-modified ligands and active site plasticity.
Nat Commun, 15, 2024
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8PPE
 | | Human inositol 1,4,5-trisphosphate 3-kinase A (IP3K) catalytic domain in complex with DL-6-deoxy-6-phosphoryloxymethyl-scyllo-inositol 1,2,4-trisphosphate/ADP/Mn | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, DL-6-deoxy-6-phosphoryloxymethyl-scyllo-inositol 1,2,4-trisphosphate, GLYCEROL, ... | | 著者 | Marquez-Monino, M.A, Gonzalez, B. | | 登録日 | 2023-07-07 | | 公開日 | 2024-02-28 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | | 主引用文献 | Substrate promiscuity of inositol 1,4,5-trisphosphate kinase driven by structurally-modified ligands and active site plasticity.
Nat Commun, 15, 2024
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8PPB
 | | Human inositol 1,4,5-trisphosphate 3-kinase A (IP3K) catalytic domain in complex with D-3-deoxy-myo-inositol 1,4,6-trisphosphate/ATP/Mn | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, D-3-deoxy-myo-inositol 1,4,6-trisphosphate, Inositol-trisphosphate 3-kinase A, ... | | 著者 | Marquez-Monino, M.A, Gonzalez, B. | | 登録日 | 2023-07-07 | | 公開日 | 2024-02-28 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Substrate promiscuity of inositol 1,4,5-trisphosphate kinase driven by structurally-modified ligands and active site plasticity.
Nat Commun, 15, 2024
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8PPC
 | | Human inositol 1,4,5-trisphosphate 3-kinase A (IP3K) catalytic domain in complex with L-chiro-inositol 2,3,5-trisphosphate/ATP/Mn | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, Inositol-trisphosphate 3-kinase A, L-chiro-inositol 2,3,5-trisphosphate, ... | | 著者 | Marquez-Monino, M.A, Gonzalez, B. | | 登録日 | 2023-07-07 | | 公開日 | 2024-02-28 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | | 主引用文献 | Substrate promiscuity of inositol 1,4,5-trisphosphate kinase driven by structurally-modified ligands and active site plasticity.
Nat Commun, 15, 2024
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8PP9
 | | Human inositol 1,4,5-trisphosphate 3-kinase A (IP3K) catalytic domain in complex with scyllo-inositol 1,2,3,5-tetrakisphosphate/ADP/Mn | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Inositol-trisphosphate 3-kinase A, MANGANESE (II) ION, ... | | 著者 | Marquez-Monino, M.A, Gonzalez, B. | | 登録日 | 2023-07-07 | | 公開日 | 2024-02-28 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | | 主引用文献 | Substrate promiscuity of inositol 1,4,5-trisphosphate kinase driven by structurally-modified ligands and active site plasticity.
Nat Commun, 15, 2024
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8PPA
 | | Human inositol 1,4,5-trisphosphate 3-kinase A (IP3K) catalytic domain in complex with D-myo-inositol 1,4,6-trisphosphate/AMP-PNP/Mn | | 分子名称: | D-myo-inositol 1,4,6-trisphosphate, Inositol-trisphosphate 3-kinase A, MANGANESE (II) ION, ... | | 著者 | Marquez-Monino, M.A, Gonzalez, B. | | 登録日 | 2023-07-07 | | 公開日 | 2024-02-28 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | | 主引用文献 | Substrate promiscuity of inositol 1,4,5-trisphosphate kinase driven by structurally-modified ligands and active site plasticity.
Nat Commun, 15, 2024
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8PPJ
 | | Human inositol 1,4,5-trisphosphate 3-kinase A (IP3K) catalytic domain in complex with beta-D-glucopyranosylmethanol 3,4,6,1'-tetrakisphosphate/ADP/Mn after reaction | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Inositol-trisphosphate 3-kinase A, MANGANESE (II) ION, ... | | 著者 | Marquez-Monino, M.A, Gonzalez, B. | | 登録日 | 2023-07-07 | | 公開日 | 2024-02-28 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Substrate promiscuity of inositol 1,4,5-trisphosphate kinase driven by structurally-modified ligands and active site plasticity.
Nat Commun, 15, 2024
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8PP8
 | | Human inositol 1,4,5-trisphosphate 3-kinase A (IP3K) catalytic domain in complex with L-scyllo-inositol 1,2,4-trisphosphate/AMP-PNP/Mn | | 分子名称: | Inositol-trisphosphate 3-kinase A, L-scyllo-inositol 1,2,4-trisphosphate, MANGANESE (II) ION, ... | | 著者 | Marquez-Monino, M.A, Gonzalez, B. | | 登録日 | 2023-07-07 | | 公開日 | 2024-02-28 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | | 主引用文献 | Substrate promiscuity of inositol 1,4,5-trisphosphate kinase driven by structurally-modified ligands and active site plasticity.
Nat Commun, 15, 2024
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8PPI
 | | Human inositol 1,4,5-trisphosphate 3-kinase A (IP3K) catalytic domain in complex with beta-D-glucopyranosylmethanol 3,4,1'-trisphosphate/ATP/Mn | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, Inositol-trisphosphate 3-kinase A, MANGANESE (II) ION, ... | | 著者 | Marquez-Monino, M.A, Gonzalez, B. | | 登録日 | 2023-07-07 | | 公開日 | 2024-02-28 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Substrate promiscuity of inositol 1,4,5-trisphosphate kinase driven by structurally-modified ligands and active site plasticity.
Nat Commun, 15, 2024
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8PPF
 | | Human inositol 1,4,5-trisphosphate 3-kinase A (IP3K) catalytic domain in complex with beta-D-glucopyranosyl 1,3,4-trisphosphate/AMP-PNP/Mg | | 分子名称: | Inositol-trisphosphate 3-kinase A, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, SULFATE ION, ... | | 著者 | Marquez-Monino, M.A, Gonzalez, B. | | 登録日 | 2023-07-07 | | 公開日 | 2024-02-28 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Substrate promiscuity of inositol 1,4,5-trisphosphate kinase driven by structurally-modified ligands and active site plasticity.
Nat Commun, 15, 2024
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8PPD
 | | Human inositol 1,4,5-trisphosphate 3-kinase A (IP3K) catalytic domain in complex with DL-6-deoxy-6-hydroxy-methyl-scyllo-inositol 1,2,4-trisphosphate/ATP/Mn | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, DL-6-deoxy-6-hydroxy-methyl-scyllo-inositol 1,2,4-trisphosphate, Inositol-trisphosphate 3-kinase A, ... | | 著者 | Marquez-Monino, M.A, Gonzalez, B. | | 登録日 | 2023-07-07 | | 公開日 | 2024-02-28 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | | 主引用文献 | Substrate promiscuity of inositol 1,4,5-trisphosphate kinase driven by structurally-modified ligands and active site plasticity.
Nat Commun, 15, 2024
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8PPH
 | | Human inositol 1,4,5-trisphosphate 3-kinase A (IP3K) catalytic domain in complex with alpha-D-glucopyranosyl 1,3,4-trisphosphate/ATP/Mn | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, Inositol-trisphosphate 3-kinase A, MANGANESE (II) ION, ... | | 著者 | Marquez-Monino, M.A, Gonzalez, B. | | 登録日 | 2023-07-07 | | 公開日 | 2024-02-28 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Substrate promiscuity of inositol 1,4,5-trisphosphate kinase driven by structurally-modified ligands and active site plasticity.
Nat Commun, 15, 2024
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7AUU
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7AUT
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7AUO
 | | Yeast Diphosphoinositol Polyphosphate Phosphohydrolase DDP1 in complex with PA-InsP8 | | 分子名称: | Diphosphoinositol polyphosphate phosphohydrolase DDP1, {[(1R,3S,4S,5R,6S)-2,4,5,6-tetrakis(phosphonooxy)cyclohexane-1,3-diyl]bis[oxy(2-oxoethane-2,1-diyl)]}bis(phosphonic acid) | | 著者 | Marquez-Monino, M.A, Gonzalez, B. | | 登録日 | 2020-11-03 | | 公開日 | 2021-05-19 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | Multiple substrate recognition by yeast diadenosine and diphosphoinositol polyphosphate phosphohydrolase through phosphate clamping.
Sci Adv, 7, 2021
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7AUN
 | | Yeast Diphosphoinositol Polyphosphate Phosphohydrolase DDP1 in complex with PCP-InsP8 | | 分子名称: | Diphosphoinositol polyphosphate phosphohydrolase DDP1, MAGNESIUM ION, {[(1R,3S,4S,5R,6S)-2,4,5,6-tetrakis(phosphonooxy)cyclohexane-1,3-diyl]bis[oxy(hydroxyphosphoryl)methanediyl]}bis(phosphonic acid) | | 著者 | Marquez-Monino, M.A, Gonzalez, B. | | 登録日 | 2020-11-03 | | 公開日 | 2021-05-19 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Multiple substrate recognition by yeast diadenosine and diphosphoinositol polyphosphate phosphohydrolase through phosphate clamping.
Sci Adv, 7, 2021
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7AUL
 | | Yeast Diphosphoinositol Polyphosphate Phosphohydrolase DDP1 in complex with 5-InsP7 in presence of Mg | | 分子名称: | (1r,2R,3S,4s,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate, ACETATE ION, Diphosphoinositol polyphosphate phosphohydrolase DDP1, ... | | 著者 | Marquez-Monino, M.A, Gonzalez, B. | | 登録日 | 2020-11-03 | | 公開日 | 2021-05-19 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Multiple substrate recognition by yeast diadenosine and diphosphoinositol polyphosphate phosphohydrolase through phosphate clamping.
Sci Adv, 7, 2021
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7AUP
 | | Yeast Diphosphoinositol Polyphosphate Phosphohydrolase DDP1 in complex with PCP-InsP7 | | 分子名称: | Diphosphoinositol polyphosphate phosphohydrolase DDP1, MAGNESIUM ION, [oxidanyl-[(2~{S},3~{S},5~{R},6~{S})-2,3,4,5,6-pentaphosphonooxycyclohexyl]oxy-phosphoryl]methylphosphonic acid | | 著者 | Marquez-Monino, M.A, Gonzalez, B. | | 登録日 | 2020-11-03 | | 公開日 | 2021-05-19 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Multiple substrate recognition by yeast diadenosine and diphosphoinositol polyphosphate phosphohydrolase through phosphate clamping.
Sci Adv, 7, 2021
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7AUR
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7AUK
 | | Yeast Diphosphoinositol Polyphosphate Phosphohydrolase DDP1 in complex with 5-InsP7 | | 分子名称: | (1r,2R,3S,4s,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate, Diphosphoinositol polyphosphate phosphohydrolase DDP1 | | 著者 | Marquez-Monino, M.A, Gonzalez, B. | | 登録日 | 2020-11-03 | | 公開日 | 2021-05-19 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Multiple substrate recognition by yeast diadenosine and diphosphoinositol polyphosphate phosphohydrolase through phosphate clamping.
Sci Adv, 7, 2021
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7AUJ
 | | Yeast Diphosphoinositol Polyphosphate Phosphohydrolase DDP1 mutation E80Q in complex with 1-InsP7 | | 分子名称: | (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate, Diphosphoinositol polyphosphate phosphohydrolase DDP1, MAGNESIUM ION | | 著者 | Marquez-Monino, M.A, Gonzalez, B. | | 登録日 | 2020-11-03 | | 公開日 | 2021-05-19 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Multiple substrate recognition by yeast diadenosine and diphosphoinositol polyphosphate phosphohydrolase through phosphate clamping.
Sci Adv, 7, 2021
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