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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5DR2
 | | Aurora A Kinase in Complex with AA30 and ATP in Space Group P6122 | | 分子名称: | 2-(3-bromophenyl)quinoline-4-carboxylic acid, ADENOSINE-5'-TRIPHOSPHATE, 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 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.46 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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5DT4
 | | Aurora A Kinase in Complex with AA35 and ATP in Space Group P6122 | | 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.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 (2.86 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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5DNR
 | | Aurora A Kinase in complex with ATP in space group P41212 | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, Aurora kinase A, MAGNESIUM ION, ... | | 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 | 2015-09-10 | | 公開日 | 2016-07-20 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.95 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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2ARV
 | | Structure of human Activin A | | 分子名称: | 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, GLYCEROL, Inhibin beta A chain, ... | | 著者 | Harrington, A.E, Morris-Triggs, S.A, Ruotolo, B.T, Robinson, C.V, Ohnuma, S, Hyvonen, M. | | 登録日 | 2005-08-22 | | 公開日 | 2006-03-07 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structural basis for the inhibition of activin signalling by follistatin
Embo J., 25, 2006
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2ARP
 | | Activin A in complex with Fs12 fragment of follistatin | | 分子名称: | 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, Follistatin, GLYCEROL, ... | | 著者 | Harrington, A.E, Morris-Triggs, S.A, Ruotolo, B.T, Robinson, C.V, Ohnuma, S, Hyvonen, M. | | 登録日 | 2005-08-21 | | 公開日 | 2006-03-07 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structural basis for the inhibition of activin signalling by follistatin
Embo J., 25, 2006
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6XUJ
 | | HumRadA1 in complex with 5-Ethyl-N-(1H-indol-5-ylmethyl)-1,3,4-thiadiazol-2-amine in P21212 | | 分子名称: | 5-Ethyl-N-(1H-indol-5-ylmethyl)-1,3,4-thiadiazol-2-amine, DNA repair and recombination protein RadA, PHOSPHATE ION | | 著者 | Marsh, M.E, Scott, D.E, Hyvonen, M. | | 登録日 | 2020-01-20 | | 公開日 | 2021-03-03 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | | 主引用文献 | Optimising crystallographic systems for structure-guided drug discovery
To be published
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7ZWG
 | | The Crystal structure of RO4493940 bound to CK2alpha | | 分子名称: | (5~{Z})-5-(quinolin-6-ylmethylidene)-1,3-thiazolidine-2,4-dione, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ACETATE ION, ... | | 著者 | Brear, P, Hyvonen, M. | | 登録日 | 2022-05-19 | | 公開日 | 2023-05-31 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (1.31 Å) | | 主引用文献 | Chemical proteomics reveals the target landscape of 1,000 kinase inhibitors.
Nat.Chem.Biol., 20, 2024
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7ZWE
 | | The Crystal structure of GW8695 bound to CK2alpha | | 分子名称: | 7-(1~{H}-indol-2-yl)-5-methyl-~{N}-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-2-amine, Casein kinase II subunit alpha | | 著者 | Brear, P, Hyvonen, M. | | 登録日 | 2022-05-19 | | 公開日 | 2023-05-31 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | | 主引用文献 | Chemical proteomics reveals the target landscape of 1,000 kinase inhibitors.
Nat.Chem.Biol., 20, 2024
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6Y6O
 | | Structure of mature activin A with small molecule 42 | | 分子名称: | (3~{R})-4-ethyl-3-methyl-3-propyl-1~{H}-1,4-benzodiazepine-2,5-dione, Inhibin beta A chain, SULFATE ION | | 著者 | McLoughlin, J.D, Brear, P.B, Reinhardt, T, Spring, D.R, Hyvonen, M. | | 登録日 | 2020-02-26 | | 公開日 | 2021-02-03 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.04 Å) | | 主引用文献 | Demonstration of the utility of DOS-derived fragment libraries for rapid hit derivatisation in a multidirectional fashion
Chem Sci, 11, 2020
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6Y6N
 | | Structure of mature activin A with small molecule 2 | | 分子名称: | (3~{R})-3,4-dimethyl-3-propyl-1~{H}-1,4-benzodiazepine-2,5-dione, Inhibin beta A chain, SULFATE ION | | 著者 | McLoughlin, J.D, Brear, P.B, Reinhardt, T, Spring, D.R, Hyvonen, M. | | 登録日 | 2020-02-26 | | 公開日 | 2021-01-13 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | | 主引用文献 | Demonstration of the utility of DOS-derived fragment libraries for rapid hit derivatisation in a multidirectional fashion
Chem Sci, 11, 2020
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6YZH
 | | Crystal structure of P8C9 bound to CK2alpha | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Casein kinase II subunit alpha, GLYCEROL, ... | | 著者 | Atkinson, E, Iegre, J, Brear, P, Baker, D, Sore, H, Hyvonen, M, Spring, D. | | 登録日 | 2020-05-07 | | 公開日 | 2021-05-19 | | 最終更新日 | 2024-07-10 | | 実験手法 | X-RAY DIFFRACTION (1.19 Å) | | 主引用文献 | Development of small cyclic peptides targeting the CK2 alpha / beta interface.
Chem.Commun.(Camb.), 58, 2022
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6Z19
 | | Crystal structure of P8C9 bound to CK2alpha | | 分子名称: | ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, Casein kinase II subunit alpha, ... | | 著者 | Atkinson, E, Iegre, J, Brear, P, Baker, D, Sore, H, Hyvonen, M, Spring, D. | | 登録日 | 2020-05-13 | | 公開日 | 2021-05-26 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | | 主引用文献 | Development of small cyclic peptides targeting the CK2 alpha / beta interface.
Chem.Commun.(Camb.), 58, 2022
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8BR9
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8C3N
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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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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
 | | 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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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
 | | 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
 | | 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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7FSA
 | | Structure of liver pyruvate kinase in complex with allosteric modulator 24 | | 分子名称: | (1M)-6-[4-(3-aminobenzene-1-sulfonyl)piperazine-1-sulfonyl][1,1'-biphenyl]-3,3',4,4'-tetrol, 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, ... | | 著者 | Lulla, A, Nilsson, O, Brear, P, Nain-Perez, A, Grotli, M, Hyvonen, M. | | 登録日 | 2022-12-18 | | 公開日 | 2023-04-12 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.909 Å) | | 主引用文献 | Tuning liver pyruvate kinase activity up or down with a new class of allosteric modulators.
Eur.J.Med.Chem., 250, 2023
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7FS1
 | | Structure of liver pyruvate kinase in complex with allosteric modulator 11 | | 分子名称: | (1P)-N-{[4-(3,4-dihydroxybenzene-1-sulfonyl)phenyl]methyl}-3',4,4',5-tetrahydroxy[1,1'-biphenyl]-2-sulfonamide, 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, ... | | 著者 | Lulla, A, Nilsson, O, Brear, P, Nain-Perez, A, Grotli, M, Hyvonen, M. | | 登録日 | 2022-12-18 | | 公開日 | 2023-04-12 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.863 Å) | | 主引用文献 | Tuning liver pyruvate kinase activity up or down with a new class of allosteric modulators.
Eur.J.Med.Chem., 250, 2023
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7FS3
 | | Structure of liver pyruvate kinase in complex with allosteric modulator 15 | | 分子名称: | 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, N-{[4-(3,4-dihydroxybenzene-1-sulfonyl)phenyl]methyl}-4,4',5-trihydroxy[1,1'-biphenyl]-2-sulfonamide, ... | | 著者 | Lulla, A, Nilsson, O, Brear, P, Nain-Perez, A, Grotli, M, Hyvonen, M. | | 登録日 | 2022-12-18 | | 公開日 | 2023-04-12 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.655 Å) | | 主引用文献 | Tuning liver pyruvate kinase activity up or down with a new class of allosteric modulators.
Eur.J.Med.Chem., 250, 2023
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7FRY
 | | Structure of liver pyruvate kinase in complex with allosteric modulator 6 | | 分子名称: | 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, N-{2-[4-(3,4-dihydroxybenzene-1-sulfonyl)phenyl]ethyl}-3,4-dihydroxybenzene-1-sulfonamide, ... | | 著者 | Lulla, A, Nilsson, O, Brear, P, Nain-Perez, A, Grotli, M, Hyvonen, M. | | 登録日 | 2022-12-18 | | 公開日 | 2023-04-12 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.958 Å) | | 主引用文献 | Tuning liver pyruvate kinase activity up or down with a new class of allosteric modulators.
Eur.J.Med.Chem., 250, 2023
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