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6Q38
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THE CRYSTAL STRUCTURE OF CK2A BOUND TO P1-C4
Descriptor:Casein kinase II subunit alpha, Stapled Peptide, BENZOIC ACID
Authors:Brear, P., Iegre, J., Baker, D., Tan, Y., Sore, H., Donovan, D., Spring, D., Chandra, V., Hyvonen, M.
Deposit date:2018-12-03
Release date:2019-04-24
Last modified:2019-06-19
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Efficient development of stable and highly functionalised peptides targeting the CK2 alpha /CK2 beta protein-protein interaction.
Chem Sci, 10, 2019
6Q4Q
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THE CRYSTAL STRUCTURE OF CK2A BOUND TO P2-C4
Descriptor:Casein kinase II subunit alpha, Stapled peptide, GLYCEROL, ...
Authors:Brear, P., Iegre, J., Baker, D., Tan, Y., Sore, H., Donovan, D., Spring, D., Chandra, V., Hyvonen, M.
Deposit date:2018-12-06
Release date:2019-04-24
Last modified:2019-06-19
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Efficient development of stable and highly functionalised peptides targeting the CK2 alpha /CK2 beta protein-protein interaction.
Chem Sci, 10, 2019
4E67
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THE STRUCTURE OF THE POLO-BOX DOMAIN (PBD) OF POLO-LIKE KINASE 1 (PLK1) IN COMPLEX WITH HYDROCINNAMOYL-DERIVATIZED PLHSPTA PEPTIDE
Descriptor:Serine/threonine-protein kinase PLK1, hydrocinnamoyl-derivatized PLHSpTA peptide
Authors:Sledz, P., Hyvonen, M., Tan, Y.S., Lang, S., Spring, D., Abell, C., Best, R.B.
Deposit date:2012-03-15
Release date:2012-10-10
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Using ligand-mapping simulations to design a ligand selectively targeting a cryptic surface pocket of polo-like kinase 1.
Angew.Chem.Int.Ed.Engl., 51, 2012
5CLP
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CRYSTAL STRUCTURE OF CK2ALPHA WITH 3,4-DICHLOROPHENETHYLAMINE BOUND
Descriptor:Casein kinase II subunit alpha, 2-(3,4-dichlorophenyl)ethanamine, ACETATE ION
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:2017-08-30
Method:X-RAY DIFFRACTION (1.684 Å)
Cite:Specific inhibition of CK2 alpha from an anchor outside the active site.
Chem Sci, 7, 2016
5CS6
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CRYSTAL STRUCTURE OF CK2ALPHA WITH COMPOUND 3 BOUND
Descriptor:Casein kinase II subunit alpha, ACETATE ION, 1-(3-chloro-4-propoxyphenyl)methanamine, ...
Authors:Brear, P., De Fusco, C., Georgiou, K.H., Spring, D., Hyvonen, M.
Deposit date:2015-07-23
Release date:2016-07-27
Last modified:2017-05-10
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Specific inhibition of CK2 alpha from an anchor outside the active site.
Chem Sci, 7, 2016
5CSH
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CRYSTAL STRUCTURE OF CK2ALPHA WITH COMPOUND 4 BOUND
Descriptor:Casein kinase II subunit alpha, 1-(2-chlorobiphenyl-4-yl)methanamine, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Brear, P., De Fusco, C., Georgiou, K.H., Spring, D., Hyvonen, M.
Deposit date:2015-07-23
Release date:2016-07-27
Last modified:2017-05-10
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Specific inhibition of CK2 alpha from an anchor outside the active site.
Chem Sci, 7, 2016
5CSP
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CRYSTAL STRUCTURE OF CK2ALPHA WITH COMPOUND 5 BOUND
Descriptor:Casein kinase II subunit alpha, 2-hydroxy-5-methylbenzoic acid, ACETATE ION
Authors:Brear, P., De Fusco, C., Georgiou, K.H., Spring, D., Hyvonen, M.
Deposit date:2015-07-23
Release date:2016-07-27
Last modified:2017-05-10
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Specific inhibition of CK2 alpha from an anchor outside the active site.
Chem Sci, 7, 2016
5CSV
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CRYSTAL STRUCTURE OF CK2ALPHA WITH COMPOUND 6 BOUND
Descriptor:Casein kinase II subunit alpha, ACETATE ION, 3-AMINOBENZOIC ACID
Authors:Brear, P., De Fusco, C., Georgiou, K.H., Spring, D., Hyvonen, M.
Deposit date:2015-07-23
Release date:2016-07-27
Last modified:2017-08-23
Method:X-RAY DIFFRACTION (1.375 Å)
Cite:Specific inhibition of CK2 alpha from an anchor outside the active site.
Chem Sci, 7, 2016
5CT0
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CRYSTAL STRUCTURE OF CK2ALPHA WITH 3-(3-CHLORO-4-(PHENYL)BENZYLAMINO)PROPAN-1-OL BOUND
Descriptor:Casein kinase II subunit alpha, ACETATE ION, 3-{[(2-chlorobiphenyl-4-yl)methyl]amino}propan-1-ol
Authors:Brear, P., De Fusco, C., Georgiou, K.H., Spring, D., Hyvonen, M.
Deposit date:2015-07-23
Release date:2016-11-30
Last modified:2017-06-07
Method:X-RAY DIFFRACTION (2.008 Å)
Cite:A fragment-based approach leading to the discovery of a novel binding site and the selective CK2 inhibitor CAM4066.
Bioorg. Med. Chem., 25, 2017
5CTP
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CRYSTAL STRUCTURE OF CK2ALPHA WITH N-(3-(3-CHLORO-4-(PHENYL)BENZYLAMINO)PROPYL)ACETAMIDE BOUND
Descriptor:Casein kinase II subunit alpha, ACETATE ION, N-(3-{[(2-chlorobiphenyl-4-yl)methyl]amino}propyl)acetamide, ...
Authors:Brear, P., De Fusco, C., Georgiou, K.H., Spring, D., Hyvonen, M.
Deposit date:2015-07-24
Release date:2016-11-30
Last modified:2017-06-07
Method:X-RAY DIFFRACTION (2.033 Å)
Cite:A fragment-based approach leading to the discovery of a novel binding site and the selective CK2 inhibitor CAM4066.
Bioorg. Med. Chem., 25, 2017
5CU0
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CRYSTAL STRUCTURE OF CK2ALPHA WITH 2-HYDROXY-5-METHYLBENZOIC ACID AND N-(3-(3-CHLORO-4-(PHENYL)BENZYLAMINO)PROPYL)ACETAMIDE BOUND
Descriptor:Casein kinase II subunit alpha, N-(3-{[(2-chlorobiphenyl-4-yl)methyl]amino}propyl)acetamide, 2-hydroxy-5-methylbenzoic acid, ...
Authors:Brear, P., De Fusco, C., Georgiou, K.H., Spring, D., Hyvonen, M.
Deposit date:2015-07-24
Release date:2016-11-30
Last modified:2017-06-07
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:A fragment-based approach leading to the discovery of a novel binding site and the selective CK2 inhibitor CAM4066.
Bioorg. Med. Chem., 25, 2017
5CU2
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CRYSTAL STRUCTURE OF CK2ALPHA WITH 2-HYDROXY-5-METHYLBENZOIC ACID AND (METHYL 4-((3-(3-CHLORO-4-(PHENYL)BENZYLAMINO)PROPYL)AMINO)-4-OXOBUTANOAT BOUND
Descriptor:Casein kinase II subunit alpha, methyl 3-[(3-{[(2-chlorobiphenyl-4-yl)methyl]amino}propyl)amino]-3-oxopropanoate, 2-hydroxy-5-methylbenzoic acid, ...
Authors:Brear, P., De Fusco, C., Georgiou, K.H., Spring, D., Hyvonen, M.
Deposit date:2015-07-24
Release date:2016-11-30
Last modified:2017-06-07
Method:X-RAY DIFFRACTION (1.705 Å)
Cite:A fragment-based approach leading to the discovery of a novel binding site and the selective CK2 inhibitor CAM4066.
Bioorg. Med. Chem., 25, 2017
5CU3
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CRYSTAL STRUCTURE OF CK2ALPHA WITH COMPOUND 10 BOUND
Descriptor:Casein kinase II subunit alpha, ACETATE ION, N-[(2-chlorobiphenyl-4-yl)methyl]-beta-alanyl-N-(3-carboxyphenyl)-beta-alaninamide, ...
Authors:Brear, P., De Fusco, C., Georgiou, K.H., Spring, D., Hyvonen, M.
Deposit date:2015-07-24
Release date:2016-07-27
Last modified:2017-05-10
Method:X-RAY DIFFRACTION (1.787 Å)
Cite:Specific inhibition of CK2 alpha from an anchor outside the active site.
Chem Sci, 7, 2016
5CU4
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CRYSTAL STRUCTURE OF CK2ALPHA WITH COMPOUND 10 BOUND
Descriptor:Casein kinase II subunit alpha, ACETATE ION, N-[(2-chlorobiphenyl-4-yl)methyl]-beta-alanyl-N-(3-carboxyphenyl)-beta-alaninamide
Authors:Brear, P., De Fusco, C., Georgiou, K.H., Spring, D., Hyvonen, M.
Deposit date:2015-07-24
Release date:2016-07-27
Last modified:2017-05-10
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Specific inhibition of CK2 alpha from an anchor outside the active site.
Chem Sci, 7, 2016
5CU6
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CRYSTAL STRUCTURE OF CK2ALPHA
Descriptor:Casein kinase II subunit alpha, ADENOSINE-5'-TRIPHOSPHATE, ACETATE ION
Authors:Brear, P., De Fusco, C., Georgiou, K.H., Spring, D., Hyvonen, M.
Deposit date:2015-07-24
Release date:2016-07-27
Last modified:2017-05-10
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:Specific inhibition of CK2 alpha from an anchor outside the active site.
Chem Sci, 7, 2016
5CVF
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CRYSTAL STRUCTURE OF CK2ALPHA WITH COMPOUND 5 BOUND
Descriptor:Casein kinase II subunit alpha, 1-[3-chloro-4-(trifluoromethoxy)phenyl]methanamine, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Brear, P., De Fusco, C., Georgiou, K.H., Spring, D., Hyvonen, M.
Deposit date:2015-07-26
Release date:2016-07-27
Last modified:2017-05-10
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Specific inhibition of CK2 alpha from an anchor outside the active site.
Chem Sci, 7, 2016
5CVG
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CRYSTAL STRUCTURE OF CK2ALPHA WITH A NOVEL CLOSED CONFORMATION OF THE AD LOOP
Descriptor:Casein kinase II subunit alpha, ACETATE ION
Authors:Brear, P., De Fusco, C., Georgiou, K.H., Spring, D., Hyvonen, M.
Deposit date:2015-07-26
Release date:2016-07-27
Last modified:2017-05-10
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Specific inhibition of CK2 alpha from an anchor outside the active site.
Chem Sci, 7, 2016
5CVH
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CRYSTAL STRUCTURE OF CK2ALPHA
Descriptor:Casein kinase II subunit alpha, ADENOSINE-5'-DIPHOSPHATE, INOSITOL 1,2,3,4,5,6-HEXAKISPHOSPHATE, ...
Authors:Brear, P., De Fusco, C., Georgiou, K.H., Spring, D., Hyvonen, M.
Deposit date:2015-07-26
Release date:2016-07-27
Last modified:2017-05-10
Method:X-RAY DIFFRACTION (1.848 Å)
Cite:Specific inhibition of CK2 alpha from an anchor outside the active site.
Chem Sci, 7, 2016
5CX9
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CRYSTAL STRUCTURE OF CK2ALPHA WITH (METHYL 4-((3-(3-CHLORO-4-(PHENYL)BENZYLAMINO)PROPYL)AMINO)-4-OXOBUTANOATE BOUND
Descriptor:Casein kinase II subunit alpha, ACETATE ION, methyl 3-[(3-{[(2-chlorobiphenyl-4-yl)methyl]amino}propyl)amino]-3-oxopropanoate, ...
Authors:Brear, P., De Fusco, C., Georgiou, K.H., Spring, D., Hyvonen, M.
Deposit date:2015-07-28
Release date:2016-11-30
Last modified:2017-06-07
Method:X-RAY DIFFRACTION (1.732 Å)
Cite:A fragment-based approach leading to the discovery of a novel binding site and the selective CK2 inhibitor CAM4066.
Bioorg. Med. Chem., 25, 2017
5MMF
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CRYSTAL STRUCTURE OF CK2ALPHA WITH COMPOUND 7 BOUND
Descriptor:Casein kinase II subunit alpha, (3-chloranyl-4-phenyl-phenyl)methyl-propyl-azanium, ACETATE ION
Authors:Brear, P., De Fusco, C., Georgiou, K.H., Spring, D., Hyvonen, M.
Deposit date:2016-12-09
Release date:2017-05-24
Last modified:2017-08-23
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:A fragment-based approach leading to the discovery of a novel binding site and the selective CK2 inhibitor CAM4066.
Bioorg. Med. Chem., 25, 2017
5MMR
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CRYSTAL STRUCTURE OF CK2ALPHA WITH N-((2-CHLORO-[1,1'-BIPHENYL]-4-YL)METHYL)BUTANE-1,4-DIAMINE BOUND
Descriptor:Casein kinase II subunit alpha, ~{N}'-[(3-chloranyl-4-phenyl-phenyl)methyl]butane-1,4-diamine, ACETATE ION, ...
Authors:Brear, P., De Fusco, C., Georgiou, K., Iegre, J., Sore, H., Hyvonen, M., Spring, D.
Deposit date:2016-12-12
Release date:2017-05-24
Last modified:2017-06-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:A fragment-based approach leading to the discovery of a novel binding site and the selective CK2 inhibitor CAM4066.
Bioorg. Med. Chem., 25, 2017
5MO5
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CRYSTAL STRUCTURE OF CK2ALPHA WITH N-(3-(((2-CHLORO-[1,1'-BIPHENYL]-4-YL)METHYL)AMINO)PROPYL)METHANESULFONAMIDE BOUND
Descriptor:Casein kinase II subunit alpha, ACETATE ION, ~{N}-[3-[(3-chloranyl-4-phenyl-phenyl)methylamino]propyl]methanesulfonamide, ...
Authors:Brear, P., De Fusco, C., Georgiou, K., Iegre, J., Sore, H., Hyvonen, M., Spring, D.
Deposit date:2016-12-13
Release date:2017-05-24
Last modified:2017-06-07
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:A fragment-based approach leading to the discovery of a novel binding site and the selective CK2 inhibitor CAM4066.
Bioorg. Med. Chem., 25, 2017
5MO6
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CRYSTAL STRUCTURE OF CK2ALPHA WITH N-(3-(((2-CHLORO-[1,1'-BIPHENYL]-4-YL)METHYL)AMINO)PROPYL)METHANESULFONAMIDE BOUND
Descriptor:Casein kinase II subunit alpha, 3-[3-[(3-chloranyl-4-phenyl-phenyl)methylamino]propylamino]-3-oxidanylidene-propanoic acid, ACETATE ION, ...
Authors:Brear, P., De Fusco, C., Georgiou, K., Iegre, J., Sore, H., Hyvonen, M., Spring, D.
Deposit date:2016-12-13
Release date:2017-05-24
Last modified:2017-08-23
Method:X-RAY DIFFRACTION (1.825 Å)
Cite:A fragment-based approach leading to the discovery of a novel binding site and the selective CK2 inhibitor CAM4066.
Bioorg. Med. Chem., 25, 2017
5MO7
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CRYSTAL STRUCTURE OF CK2ALPHA WITH N-(3-(((2-CHLORO-[1,1'-BIPHENYL]-4-YL)METHYL)AMINO)PROPYL)METHANESULFONAMIDE BOUND
Descriptor:Casein kinase II subunit alpha, PHOSPHATE ION, 3-[(3-chloranyl-4-phenyl-phenyl)methylamino]propanamide
Authors:Brear, P., De Fusco, C., Georgiou, K., Iegre, J., Sore, H., Hyvonen, M., Spring, D.
Deposit date:2016-12-13
Release date:2017-05-24
Last modified:2017-06-07
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:A fragment-based approach leading to the discovery of a novel binding site and the selective CK2 inhibitor CAM4066.
Bioorg. Med. Chem., 25, 2017
5MO8
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CRYSTAL STRUCTURE OF CK2ALPHA WITH N-(3-(((2-CHLORO-[1,1'-BIPHENYL]-4-YL)METHYL)AMINO)PROPYL)METHANESULFONAMIDE BOUND
Descriptor:Casein kinase II subunit alpha, ACETATE ION, 3-[[3-[3-[(3-chloranyl-4-phenyl-phenyl)methylamino]propylamino]-3-oxidanylidene-propanoyl]amino]benzoic acid, ...
Authors:Brear, P., De Fusco, C., Georgiou, K., Iegre, J., Sore, H., Hyvonen, M., Spring, D.
Deposit date:2016-12-13
Release date:2017-05-24
Last modified:2017-06-07
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:A fragment-based approach leading to the discovery of a novel binding site and the selective CK2 inhibitor CAM4066.
Bioorg. Med. Chem., 25, 2017
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