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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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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6YPG
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6YPK
| Crystal Structure of CK2alpha with GTP bound | Descriptor: | Casein kinase II subunit alpha, GUANOSINE-5'-DIPHOSPHATE | Authors: | Brear, P, Hyvonen, M. | Deposit date: | 2020-04-16 | Release date: | 2020-07-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Proposed Allosteric Inhibitors Bind to the ATP Site of CK2 alpha. J.Med.Chem., 63, 2020
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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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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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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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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: | 2019-11-27 | 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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5NN1
| The structure of the polo-box domain (PBD) of polo-like kinase 1 (Plk1) | Descriptor: | Serine/threonine-protein kinase PLK1 | Authors: | Kunciw, D.L, Rossmann, M, De Fusco, C, Spring, D.R, Hyvonen, M. | Deposit date: | 2017-04-07 | Release date: | 2018-02-21 | Last modified: | 2023-03-29 | Method: | X-RAY DIFFRACTION (1.785 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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4B32
| Humanised monomeric RadA in complex with napht-1-ol | Descriptor: | DNA REPAIR AND RECOMBINATION PROTEIN RADA, PHOSPHATE ION, naphthalen-2-ol | Authors: | Scott, D.E, Ehebauer, M.T, Pukala, T, Marsh, M, Blundell, T.L, Venkitaraman, A.R, Abell, C, Hyvonen, M. | Deposit date: | 2012-07-20 | Release date: | 2013-02-06 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Using a Fragment-Based Approach to Target Protein-Protein Interactions. Chembiochem, 14, 2013
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4B3C
| Humanised monomeric RadA in complex with 5-hydroxy indole | Descriptor: | 1H-indol-5-ol, DNA REPAIR AND RECOMBINATION PROTEIN RADA, PHOSPHATE ION | Authors: | Scott, D.E, Ehebauer, M.T, Pukala, T, Marsh, M, Blundell, T.L, Venkitaraman, A.R, Abell, C, Hyvonen, M. | Deposit date: | 2012-07-23 | Release date: | 2013-02-06 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Using a Fragment-Based Approach to Target Protein-Protein Interactions. Chembiochem, 14, 2013
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4ZI5
| Crystal Structure of Dienelactone Hydrolase-like Promiscuous Phospotriesterase P91 from Metagenomic Libraries | Descriptor: | CHLORIDE ION, MAGNESIUM ION, P91 | Authors: | Colin, P.-Y, Fischer, G, Hyvonen, M, Hollfelder, F. | Deposit date: | 2015-04-27 | Release date: | 2016-02-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.702 Å) | Cite: | Ultrahigh-throughput discovery of promiscuous enzymes by picodroplet functional metagenomics. Nat Commun, 6, 2015
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4B34
| Humanised monomeric RadA in complex with 2-amino benzothiazole | Descriptor: | 1,3-benzothiazol-2-amine, DNA REPAIR AND RECOMBINATION PROTEIN RADA, PHOSPHATE ION | Authors: | Scott, D.E, Ehebauer, M.T, Pukala, T, Marsh, M, Blundell, T.L, Venkitaraman, A.R, Abell, C, Hyvonen, M. | Deposit date: | 2012-07-20 | Release date: | 2013-02-06 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Using a Fragment-Based Approach to Target Protein-Protein Interactions. Chembiochem, 14, 2013
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4B33
| Humanised monomeric RadA in complex with napht-2-ol | Descriptor: | 1-NAPHTHOL, DNA REPAIR AND RECOMBINATION PROTEIN RADA, PHOSPHATE ION | Authors: | Scott, D.E, Ehebauer, M.T, Pukala, T, Marsh, M, Blundell, T.L, Venkitaraman, A.R, Abell, C, Hyvonen, M. | Deposit date: | 2012-07-20 | Release date: | 2013-02-06 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.499 Å) | Cite: | Using a Fragment-Based Approach to Target Protein-Protein Interactions. Chembiochem, 14, 2013
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4B2I
| Humanised monomeric RadA in complex with indazole | Descriptor: | 1H-indazole, DNA REPAIR AND RECOMBINATION PROTEIN RADA, PHOSPHATE ION | Authors: | Scott, D.E, Ehebauer, M.T, Pukala, T, Marsh, M, Blundell, T.L, Venkitaraman, A.R, Abell, C, Hyvonen, M. | Deposit date: | 2012-07-16 | Release date: | 2013-02-06 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Using a Fragment-Based Approach to Target Protein-Protein Interactions. Chembiochem, 14, 2013
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4B35
| Humanised monomeric RadA in complex with 4-methylester indole | Descriptor: | DNA REPAIR AND RECOMBINATION PROTEIN RADA, PHOSPHATE ION, methyl 1H-indole-4-carboxylate | Authors: | Scott, D.E, Ehebauer, M.T, Pukala, T, Marsh, M, Blundell, T.L, Venkitaraman, A.R, Abell, C, Hyvonen, M. | Deposit date: | 2012-07-20 | Release date: | 2013-02-06 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Using a Fragment-Based Approach to Target Protein-Protein Interactions. Chembiochem, 14, 2013
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5AJ9
| G7 mutant of PAS, arylsulfatase from Pseudomonas Aeruginosa | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ARYLSULFATASE, CALCIUM ION, ... | Authors: | Miton, C.M, Fischer, G, Jonas, S, Mohammed, M.F, Loo, B.v, Kintses, B, Hyvonen, M, Tokuriki, N, Hollfelder, F. | Deposit date: | 2015-02-20 | Release date: | 2016-03-16 | Last modified: | 2019-04-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Evolutionary repurposing of a sulfatase: A new Michaelis complex leads to efficient transition state charge offset. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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4B3D
| Humanised monomeric RadA in complex with 5-methyl indole | Descriptor: | 5-METHYL INDOLE, DNA REPAIR AND RECOMBINATION PROTEIN RADA, PHOSPHATE ION | Authors: | Scott, D.E, Ehebauer, M.T, Pukala, T, Marsh, M, Blundell, T.L, Venkitaraman, A.R, Abell, C, Hyvonen, M. | Deposit date: | 2012-07-23 | Release date: | 2013-02-06 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.589 Å) | Cite: | Using a Fragment-Based Approach to Target Protein-Protein Interactions. Chembiochem, 14, 2013
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4B3B
| Humanised monomeric RadA in complex with FHTA tetrapeptide | Descriptor: | DNA REPAIR AND RECOMBINATION PROTEIN RADA, FHTA TETRAPEPTIDE, PHOSPHATE ION | Authors: | Scott, D.E, Ehebauer, M.T, Pukala, T, Marsh, M, Blundell, T.L, Venkitaraman, A.R, Abell, C, Hyvonen, M. | Deposit date: | 2012-07-23 | Release date: | 2013-02-27 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.193 Å) | Cite: | Using a Fragment-Based Approach to Target Protein-Protein Interactions. Chembiochem, 14, 2013
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4B2L
| Humanised monomeric RadA in complex with L-methylester tryptophan | Descriptor: | DNA REPAIR AND RECOMBINATION PROTEIN RADA, PHOSPHATE ION, methyl L-tryptophanate | Authors: | Scott, D.E, Ehebauer, M.T, Pukala, T, Marsh, M, Blundell, T.L, Venkitaraman, A.R, Abell, C, Hyvonen, M. | Deposit date: | 2012-07-16 | Release date: | 2013-02-06 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Using a Fragment-Based Approach to Target Protein-Protein Interactions. Chembiochem, 14, 2013
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5CLP
| Crystal Structure of CK2alpha with 3,4-dichlorophenethylamine bound | Descriptor: | 2-(3,4-dichlorophenyl)ethanamine, ACETATE ION, Casein kinase II subunit alpha | Authors: | Brear, P, De Fusco, C, Georgiou, K.H, Spring, D, Hyvonen, M. | Deposit date: | 2015-07-16 | Release date: | 2016-07-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.684 Å) | Cite: | Specific inhibition of CK2 alpha from an anchor outside the active site. Chem Sci, 7, 2016
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