6YJE
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![BU of 6yje by Molmil](/molmil-images/mine/6yje) | Plasmoodium vivax phosphoglycerate kinase bound to nitrofuran inhibitor from PEG3350 and ammonium acetate at pH 5.5 | 分子名称: | (2~{S})-2-(5-nitrofuran-2-yl)-2,3,5,6,7,8-hexahydro-1~{H}-[1]benzothiolo[2,3-d]pyrimidin-4-one, Phosphoglycerate kinase | 著者 | Blaszczyk, B.K, Hyvonen, M. | 登録日 | 2020-04-03 | 公開日 | 2021-04-14 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | 主引用文献 | Phosphoglycerate Kinase as a potential target for antimalarial therapy to be published
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5NN1
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7ZYO
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![BU of 7zyo by Molmil](/molmil-images/mine/7zyo) | Compound 9 Bound to CK2alpha | 分子名称: | 5-bromanyl-6-chloranyl-3-(1~{H}-1,2,3,4-tetrazol-5-ylmethyl)-1~{H}-indole, ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, ... | 著者 | Brear, P, Hyvonen, M. | 登録日 | 2022-05-25 | 公開日 | 2022-10-12 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | 主引用文献 | A fragment-based approach leading to the discovery of inhibitors of CK2 alpha with a novel mechanism of action. Rsc Med Chem, 13, 2022
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7ZYD
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![BU of 7zyd by Molmil](/molmil-images/mine/7zyd) | Structure of Compound 6 Bound to CK2alpha | 分子名称: | 5-bromanyl-6-chloranyl-1~{H}-indole, ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, ... | 著者 | Brear, P, Hyvonen, M. | 登録日 | 2022-05-24 | 公開日 | 2022-10-12 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.404 Å) | 主引用文献 | A fragment-based approach leading to the discovery of inhibitors of CK2 alpha with a novel mechanism of action. Rsc Med Chem, 13, 2022
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7ZYR
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![BU of 7zyr by Molmil](/molmil-images/mine/7zyr) | Compound 20 Bound to CK2alpha | 分子名称: | 5-bromanyl-6-chloranyl-3-(1~{H}-pyrrol-2-ylmethyl)-1~{H}-indole, ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, ... | 著者 | Brear, P, Hyvonen, M. | 登録日 | 2022-05-25 | 公開日 | 2022-10-12 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | A fragment-based approach leading to the discovery of inhibitors of CK2 alpha with a novel mechanism of action. Rsc Med Chem, 13, 2022
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7ZYK
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![BU of 7zyk by Molmil](/molmil-images/mine/7zyk) | Compound 9 Bound to CK2alpha | 分子名称: | 2-(5-bromanyl-6-chloranyl-1~{H}-indol-3-yl)ethanenitrile, ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, ... | 著者 | Brear, P, Hyvonen, M. | 登録日 | 2022-05-25 | 公開日 | 2022-12-07 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.31 Å) | 主引用文献 | A fragment-based approach leading to the discovery of inhibitors of CK2 alpha with a novel mechanism of action. Rsc Med Chem, 13, 2022
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8AEC
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![BU of 8aec by Molmil](/molmil-images/mine/8aec) | Structure of Compound 17 bound to CK2alpha | 分子名称: | 2-(5-bromanyl-6-chloranyl-1H-indazol-3-yl)ethanenitrile, ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, ... | 著者 | Brear, P, De Fusco, C, Atkinson, E, Iegre, I, Francis, N, Venkitaraman, A, Spring, D, Hyvonen, M. | 登録日 | 2022-07-12 | 公開日 | 2022-10-12 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.09 Å) | 主引用文献 | A fragment-based approach leading to the discovery of inhibitors of CK2 alpha with a novel mechanism of action. Rsc Med Chem, 13, 2022
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8AEK
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![BU of 8aek by Molmil](/molmil-images/mine/8aek) | Structure of Compound 14 bound to CK2alpha | 分子名称: | 2-[5-(trifluoromethyl)-1H-indol-3-yl]ethanenitrile, ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, ... | 著者 | Brear, P, Fusco, C, Atkinson, E, Iegre, J, Francis-Newton, N, Venkotaraman, A, Spring, D, Hyvonen, M. | 登録日 | 2022-07-13 | 公開日 | 2022-10-12 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | A fragment-based approach leading to the discovery of inhibitors of CK2 alpha with a novel mechanism of action. Rsc Med Chem, 13, 2022
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8AE7
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![BU of 8ae7 by Molmil](/molmil-images/mine/8ae7) | The strucuture of Compound 15 bound to CK2alpha | 分子名称: | 2-[5,6-bis(bromanyl)-1H-indazol-3-yl]ethanenitrile, ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, ... | 著者 | Brear, P, De Fusco, C, Atkinson, E, Frances, N, Iegre, J, Venkitaraman, A, Hyvonen, M, Spring, D. | 登録日 | 2022-07-12 | 公開日 | 2023-03-29 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.28 Å) | 主引用文献 | A fragment-based approach leading to the discovery of inhibitors of CK2 alpha with a novel mechanism of action. Rsc Med Chem, 13, 2022
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8AEM
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![BU of 8aem by Molmil](/molmil-images/mine/8aem) | Structure of Compound 13 bound to CK2alpha | 分子名称: | 2-(5-chloranyl-1H-indol-3-yl)ethanenitrile, ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, ... | 著者 | Brear, P, Fusco, C, Atkinson, E, Iegre, J, Francis-Newton, N, Venkotaraman, A, Spring, D, Hyvonen, M. | 登録日 | 2022-07-13 | 公開日 | 2023-03-29 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | A fragment-based approach leading to the discovery of inhibitors of CK2 alpha with a novel mechanism of action. Rsc Med Chem, 13, 2022
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5NFU
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![BU of 5nfu by Molmil](/molmil-images/mine/5nfu) | The structure of the polo-box domain (PBD) of polo-like kinase 1 (Plk1) in complex with LHSpTA peptide | 分子名称: | Ac-LEU-HIS-SER-(TPO)-ALA, Serine/threonine-protein kinase PLK1 | 著者 | Kunciw, D.L, Rossmann, M, De Fusco, C, Spring, D.R, Hyvonen, M. | 登録日 | 2017-03-16 | 公開日 | 2018-05-16 | 最終更新日 | 2023-03-08 | 実験手法 | X-RAY DIFFRACTION (1.809 Å) | 主引用文献 | A cryptic hydrophobic pocket in the polo-box domain of the polo-like kinase PLK1 regulates substrate recognition and mitotic chromosome segregation. Sci Rep, 9, 2019
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5HLZ
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6Y3A
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6YPH
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5NJE
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![BU of 5nje by Molmil](/molmil-images/mine/5nje) | The structure of the polo-box domain (PBD) of polo-like kinase 1 (Plk1) in complex with Alpha-Bromo-3-Iodotoluene. | 分子名称: | Alpha-Bromo-3-Iodotoluene, Serine/threonine-protein kinase PLK1 | 著者 | Kunciw, D.L, Rossmann, M, Stokes, J.E, De Fusco, C, Spring, D.R, Hyvonen, M. | 登録日 | 2017-03-28 | 公開日 | 2018-05-16 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.978 Å) | 主引用文献 | A cryptic hydrophobic pocket in the polo-box domain of the polo-like kinase PLK1 regulates substrate recognition and mitotic chromosome segregation. Sci Rep, 9, 2019
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5NMM
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![BU of 5nmm by Molmil](/molmil-images/mine/5nmm) | The structure of the polo-box domain (PBD) of Plk1 in complex with Alpha-Bromo-3-Iodotoluene. | 分子名称: | Alpha-Bromo-3-Iodotoluene, Serine/threonine-protein kinase PLK1 | 著者 | Kunciw, D.L, Rossmann, M, Stokes, J.E, De Fusco, C, Spring, D.R, Hyvonen, M. | 登録日 | 2017-04-06 | 公開日 | 2018-02-21 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | 主引用文献 | A cryptic hydrophobic pocket in the polo-box domain of the polo-like kinase PLK1 regulates substrate recognition and mitotic chromosome segregation. Sci Rep, 9, 2019
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5NB8
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![BU of 5nb8 by Molmil](/molmil-images/mine/5nb8) | Structure of vWC domain from CCN3 | 分子名称: | GLYCEROL, IMIDAZOLE, Protein NOV homolog | 著者 | Xu, E.-R, Hyvonen, M. | 登録日 | 2017-03-01 | 公開日 | 2017-06-14 | 最終更新日 | 2017-08-09 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structural analyses of von Willebrand factor C domains of collagen 2A and CCN3 reveal an alternative mode of binding to bone morphogenetic protein-2. J. Biol. Chem., 292, 2017
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5NEI
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![BU of 5nei by Molmil](/molmil-images/mine/5nei) | The structure of the polo-box domain (PBD) of polo-like kinase 1 (Plk1) in complex with JES107 | 分子名称: | 2-[[3-[[5-(3-iodanylphenyl)carbonylthiophen-2-yl]carbonylamino]phenyl]methyl]propanedioic acid, Serine/threonine-protein kinase PLK1 | 著者 | Kunciw, D.L, Rossmann, M, Stokes, J.E, De Fusco, C, Spring, D.R, Hyvonen, M. | 登録日 | 2017-03-10 | 公開日 | 2018-02-21 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.68 Å) | 主引用文献 | A fragment-based approach to developing inhibitors of the cryptic pocket of the Polo-Like Kinase 1 Polo-Box Domain. To Be Published
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5NN2
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![BU of 5nn2 by Molmil](/molmil-images/mine/5nn2) | The structure of the polo-box domain (PBD) of Plk1 in complex with Z228588490 | 分子名称: | (3~{R},5~{R})-1-[2,4-bis(fluoranyl)phenyl]-5-oxidanyl-pyrrolidine-3-carboxylic acid, Serine/threonine-protein kinase PLK1 | 著者 | Kunciw, D.L, Rossmann, M, Stokes, J.E, De Fusco, C, Spring, D.R, Hyvonen, M. | 登録日 | 2017-04-07 | 公開日 | 2018-02-21 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | 主引用文献 | A fragment-based approach to developing inhibitors of the cryptic pocket of the Polo-Like Kinase 1 Polo-Box Domain. To Be Published
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5BXO
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![BU of 5bxo by Molmil](/molmil-images/mine/5bxo) | Human Tankyrase-2 in Complex with Macrocyclised Extended Peptide cp4n2m3 | 分子名称: | 4,4'-propane-1,3-diylbis(1-methyl-1H-1,2,3-triazole), DIMETHYL SULFOXIDE, SULFATE ION, ... | 著者 | Xu, W, Fischer, G, Hyvonen, M, Itzhaki, L. | 登録日 | 2015-06-09 | 公開日 | 2016-06-29 | 最終更新日 | 2023-03-29 | 実験手法 | X-RAY DIFFRACTION (1.334 Å) | 主引用文献 | Macrocyclized Extended Peptides: Inhibiting the Substrate-Recognition Domain of Tankyrase. J.Am.Chem.Soc., 139, 2017
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5NIR
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![BU of 5nir by Molmil](/molmil-images/mine/5nir) | Crystal structure of collagen 2A vWC domain | 分子名称: | 1,2-ETHANEDIOL, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, Collagen alpha-1(II) chain, ... | 著者 | Fischer, G, Blythe, E, Hyvonen, M. | 登録日 | 2017-03-27 | 公開日 | 2017-06-14 | 最終更新日 | 2017-08-09 | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | 主引用文献 | Structural analyses of von Willebrand factor C domains of collagen 2A and CCN3 reveal an alternative mode of binding to bone morphogenetic protein-2. J. Biol. Chem., 292, 2017
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5DR9
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![BU of 5dr9 by Molmil](/molmil-images/mine/5dr9) | Aurora A Kinase in Complex with AA29 and JNJ-7706621 in Space Group P6122 | 分子名称: | 2-(3-bromophenyl)-6-chloroquinoline-4-carboxylic acid, 4-({5-amino-1-[(2,6-difluorophenyl)carbonyl]-1H-1,2,4-triazol-3-yl}amino)benzenesulfonamide, Aurora kinase A | 著者 | Janecek, M, Rossmann, M, Sharma, P, Emery, A, McKenzie, G.J, Huggins, D.J, Stockwell, S, Stokes, J.A, Almeida, E.G, Hardwick, B, Narvaez, A.J, Hyvonen, M, Spring, D.R, Venkitaraman, A.R. | 登録日 | 2015-09-15 | 公開日 | 2016-07-20 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.47 Å) | 主引用文献 | Allosteric modulation of AURKA kinase activity by a small-molecule inhibitor of its protein-protein interaction with TPX2. Sci Rep, 6, 2016
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5DPV
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![BU of 5dpv by Molmil](/molmil-images/mine/5dpv) | Aurora A Kinase in Complex with AA35 and JNJ-7706621 in Space Group P6122 | 分子名称: | 2-(3-bromophenyl)-8-fluoroquinoline-4-carboxylic acid, 4-({5-amino-1-[(2,6-difluorophenyl)carbonyl]-1H-1,2,4-triazol-3-yl}amino)benzenesulfonamide, Aurora kinase A | 著者 | Janecek, M, Rossmann, M, Sharma, P, Emery, A, McKenzie, G.J, Huggins, D.J, Stockwell, S, Stokes, J.A, Almeida, E.G, Hardwick, B, Narvaez, A.J, Hyvonen, M, Spring, D.R, Venkitaraman, A.R. | 登録日 | 2015-09-14 | 公開日 | 2016-07-20 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.285 Å) | 主引用文献 | Allosteric modulation of AURKA kinase activity by a small-molecule inhibitor of its protein-protein interaction with TPX2. Sci Rep, 6, 2016
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5DT0
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![BU of 5dt0 by Molmil](/molmil-images/mine/5dt0) | Aurora A Kinase in Complex with JNJ-7706621 in Space Group P6122 | 分子名称: | 4-({5-amino-1-[(2,6-difluorophenyl)carbonyl]-1H-1,2,4-triazol-3-yl}amino)benzenesulfonamide, Aurora kinase A | 著者 | Janecek, M, Rossmann, M, Sharma, P, Emery, A, McKenzie, G.J, Huggins, D.J, Stockwell, S, Stokes, J.A, Almeida, E.G, Hardwick, B, Narvaez, A.J, Hyvonen, M, Spring, D.R, Venkitaraman, A.R. | 登録日 | 2015-09-17 | 公開日 | 2016-07-20 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Allosteric modulation of AURKA kinase activity by a small-molecule inhibitor of its protein-protein interaction with TPX2. Sci Rep, 6, 2016
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5DN3
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![BU of 5dn3 by Molmil](/molmil-images/mine/5dn3) | Aurora A in complex with ATP and AA35. | 分子名称: | 2-(3-bromophenyl)-8-fluoroquinoline-4-carboxylic acid, ADENOSINE-5'-TRIPHOSPHATE, Aurora kinase A, ... | 著者 | Janecek, M, Rossmann, M, Sharma, P, Emery, A, McKenzie, G, Huggins, D, Stockwell, S, Stokes, J.A, Almeida, E.G, Hardwick, B, Narvaez, A.J, Hyvonen, M, Spring, D.R, Venkitaraman, A. | 登録日 | 2015-09-09 | 公開日 | 2016-07-20 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Allosteric modulation of AURKA kinase activity by a small-molecule inhibitor of its protein-protein interaction with TPX2. Sci Rep, 6, 2016
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