5DT4
 
 | | Aurora A Kinase in Complex with AA35 and ATP in Space Group P6122 | | Descriptor: | 2-(3-bromophenyl)-8-fluoroquinoline-4-carboxylic acid, ADENOSINE-5'-TRIPHOSPHATE, Aurora kinase A, ... | | Authors: | 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. | | Deposit date: | 2015-09-17 | | Release date: | 2016-07-20 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.86 Å) | | Cite: | 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 | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Aurora kinase A, MAGNESIUM ION, ... | | Authors: | 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. | | Deposit date: | 2015-09-10 | | Release date: | 2016-07-20 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | 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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5NFU
 | | The structure of the polo-box domain (PBD) of polo-like kinase 1 (Plk1) in complex with LHSpTA peptide | | Descriptor: | Ac-LEU-HIS-SER-(TPO)-ALA, Serine/threonine-protein kinase PLK1 | | Authors: | Kunciw, D.L, Rossmann, M, De Fusco, C, Spring, D.R, Hyvonen, M. | | Deposit date: | 2017-03-16 | | Release date: | 2018-05-16 | | Last modified: | 2023-03-08 | | Method: | X-RAY DIFFRACTION (1.809 Å) | | Cite: | 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. | | Descriptor: | Alpha-Bromo-3-Iodotoluene, Serine/threonine-protein kinase PLK1 | | Authors: | Kunciw, D.L, Rossmann, M, Stokes, J.E, De Fusco, C, Spring, D.R, Hyvonen, M. | | Deposit date: | 2017-03-28 | | Release date: | 2018-05-16 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.978 Å) | | Cite: | 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. | | Descriptor: | Alpha-Bromo-3-Iodotoluene, Serine/threonine-protein kinase PLK1 | | Authors: | Kunciw, D.L, Rossmann, M, Stokes, J.E, De Fusco, C, Spring, D.R, Hyvonen, M. | | Deposit date: | 2017-04-06 | | Release date: | 2018-02-21 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | 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 | | Descriptor: | 2-[[3-[[5-(3-iodanylphenyl)carbonylthiophen-2-yl]carbonylamino]phenyl]methyl]propanedioic acid, Serine/threonine-protein kinase PLK1 | | Authors: | Kunciw, D.L, Rossmann, M, Stokes, J.E, De Fusco, C, Spring, D.R, Hyvonen, M. | | Deposit date: | 2017-03-10 | | Release date: | 2018-02-21 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.68 Å) | | Cite: | 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 | | Descriptor: | (3~{R},5~{R})-1-[2,4-bis(fluoranyl)phenyl]-5-oxidanyl-pyrrolidine-3-carboxylic acid, Serine/threonine-protein kinase PLK1 | | Authors: | Kunciw, D.L, Rossmann, M, Stokes, J.E, De Fusco, C, Spring, D.R, Hyvonen, M. | | Deposit date: | 2017-04-07 | | Release date: | 2018-02-21 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | 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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5HLZ
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5HLY
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7ZYO
 | | Compound 9 Bound to CK2alpha | | Descriptor: | 5-bromanyl-6-chloranyl-3-(1~{H}-1,2,3,4-tetrazol-5-ylmethyl)-1~{H}-indole, ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Brear, P, Hyvonen, M. | | Deposit date: | 2022-05-25 | | Release date: | 2022-10-12 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | 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
 | | Structure of Compound 6 Bound to CK2alpha | | Descriptor: | 5-bromanyl-6-chloranyl-1~{H}-indole, ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Brear, P, Hyvonen, M. | | Deposit date: | 2022-05-24 | | Release date: | 2022-10-12 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.404 Å) | | Cite: | 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
 | | Compound 20 Bound to CK2alpha | | Descriptor: | 5-bromanyl-6-chloranyl-3-(1~{H}-pyrrol-2-ylmethyl)-1~{H}-indole, ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Brear, P, Hyvonen, M. | | Deposit date: | 2022-05-25 | | Release date: | 2022-10-12 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | 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
 | | Compound 9 Bound to CK2alpha | | Descriptor: | 2-(5-bromanyl-6-chloranyl-1~{H}-indol-3-yl)ethanenitrile, ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, ... | | Authors: | Brear, P, Hyvonen, M. | | Deposit date: | 2022-05-25 | | Release date: | 2022-12-07 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.31 Å) | | Cite: | 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
 | | Structure of Compound 17 bound to CK2alpha | | Descriptor: | 2-(5-bromanyl-6-chloranyl-1H-indazol-3-yl)ethanenitrile, ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Brear, P, De Fusco, C, Atkinson, E, Iegre, I, Francis, N, Venkitaraman, A, Spring, D, Hyvonen, M. | | Deposit date: | 2022-07-12 | | Release date: | 2022-10-12 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.09 Å) | | Cite: | 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
 | | Structure of Compound 14 bound to CK2alpha | | Descriptor: | 2-[5-(trifluoromethyl)-1H-indol-3-yl]ethanenitrile, ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Brear, P, Fusco, C, Atkinson, E, Iegre, J, Francis-Newton, N, Venkotaraman, A, Spring, D, Hyvonen, M. | | Deposit date: | 2022-07-13 | | Release date: | 2022-10-12 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | 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
 | | The strucuture of Compound 15 bound to CK2alpha | | Descriptor: | 2-[5,6-bis(bromanyl)-1H-indazol-3-yl]ethanenitrile, ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, ... | | Authors: | Brear, P, De Fusco, C, Atkinson, E, Frances, N, Iegre, J, Venkitaraman, A, Hyvonen, M, Spring, D. | | Deposit date: | 2022-07-12 | | Release date: | 2023-03-29 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.28 Å) | | Cite: | 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
 | | Structure of Compound 13 bound to CK2alpha | | Descriptor: | 2-(5-chloranyl-1H-indol-3-yl)ethanenitrile, ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Brear, P, Fusco, C, Atkinson, E, Iegre, J, Francis-Newton, N, Venkotaraman, A, Spring, D, Hyvonen, M. | | Deposit date: | 2022-07-13 | | Release date: | 2023-03-29 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | 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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8BE1
 | | SARS-CoV-2 RBD in complex with a Fab fragment of a neutralising antibody mRBD2 | | Descriptor: | Antibody heavy chain, Antibody light chain, SULFATE ION, ... | | Authors: | Lulla, A, Brear, P, Fischer, K, Hollfelder, F, Hyvonen, M. | | Deposit date: | 2022-10-21 | | Release date: | 2023-01-25 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Microfluidics-enabled fluorescence-activated cell sorting of single pathogen-specific antibody secreting cells for the rapid discovery of monoclonal antibodies
Biorxiv, 2023
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5BXO
 | | Human Tankyrase-2 in Complex with Macrocyclised Extended Peptide cp4n2m3 | | Descriptor: | 4,4'-propane-1,3-diylbis(1-methyl-1H-1,2,3-triazole), DIMETHYL SULFOXIDE, SULFATE ION, ... | | Authors: | Xu, W, Fischer, G, Hyvonen, M, Itzhaki, L. | | Deposit date: | 2015-06-09 | | Release date: | 2016-06-29 | | Last modified: | 2023-03-29 | | Method: | X-RAY DIFFRACTION (1.334 Å) | | Cite: | Macrocyclized Extended Peptides: Inhibiting the Substrate-Recognition Domain of Tankyrase.
J.Am.Chem.Soc., 139, 2017
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6Y3A
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6YPH
 | | Crystal Structure of CK2alpha with Compound 2 bound | | Descriptor: | 4-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-2-oxidanyl-benzoic acid, Casein kinase II subunit alpha | | Authors: | Brear, P, Hyvonen, M. | | Deposit date: | 2020-04-16 | | Release date: | 2020-07-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Proposed Allosteric Inhibitors Bind to the ATP Site of CK2 alpha.
J.Med.Chem., 63, 2020
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6YPN
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6YPJ
 | | Crystal Structure of CK2alpha with Compound 1 bound | | Descriptor: | 4-[(4-phenyl-1,3-thiazol-2-yl)amino]benzoic acid, ACETATE ION, Casein kinase II subunit alpha | | Authors: | Brear, P, Hyvonen, M. | | Deposit date: | 2020-04-16 | | Release date: | 2020-07-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Proposed Allosteric Inhibitors Bind to the ATP Site of CK2 alpha.
J.Med.Chem., 63, 2020
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6YJE
 | | Plasmoodium vivax phosphoglycerate kinase bound to nitrofuran inhibitor from PEG3350 and ammonium acetate at pH 5.5 | | Descriptor: | (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 | | Authors: | Blaszczyk, B.K, Hyvonen, M. | | Deposit date: | 2020-04-03 | | Release date: | 2021-04-14 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Phosphoglycerate Kinase as a potential target for antimalarial therapy
to be published
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4A6P
 | | RadA C-terminal ATPase domain from Pyrococcus furiosus | | Descriptor: | DNA REPAIR AND RECOMBINATION PROTEIN RADA, PHOSPHATE ION | | Authors: | Marsh, M.E, Ehebauer, M.T, Scott, D, Abell, C, Blundell, T.L, Hyvonen, M. | | Deposit date: | 2011-11-08 | | Release date: | 2012-11-14 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.498 Å) | | Cite: | ATP Half-Sites in Rada and Rad51 Recombinases Bind Nucleotides
FEBS Open Bio, 6, 2016
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