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PDB: 12 results

7ZY8
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BU of 7zy8 by Molmil
Crystal structure of compound 2 bound to CK2alpha
Descriptor: 3-[3,5-bis(chloranyl)phenyl]propan-1-amine, ACETATE ION, Casein kinase II subunit alpha, ...
Authors:Brear, P, Fusco, C, Atkinson, E, Rossmann, M, Francis, N, Iegre, J, Hyvonen, M, Spring, D.
Deposit date:2022-05-24
Release date:2022-10-12
Last modified:2024-02-07
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
7ZY0
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BU of 7zy0 by Molmil
Crystal structure of compound 7 bound to CK2alpha
Descriptor: 2-(5-bromanyl-1~{H}-indol-3-yl)ethanenitrile, ADENOSINE-5'-DIPHOSPHATE, Casein kinase II subunit alpha
Authors:Brear, P, Fusco, C, Atkinson, E, Rossmann, M, Francis, N, Iegre, J, Hyvonen, M, Spring, D.
Deposit date:2022-05-23
Release date:2022-10-12
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.44 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
7ZYD
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BU of 7zyd by Molmil
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
8AEC
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BU of 8aec by Molmil
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
7ZY5
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BU of 7zy5 by Molmil
Crystal structure of compound 2 bound to CK2alpha
Descriptor: 1-NAPHTHOL, ACETATE ION, Casein kinase II subunit alpha
Authors:Brear, P, Fusco, C, Atkinson, E, Rossmann, M, Francis, N, Iegre, J, Hyvonen, M, Spring, D.
Deposit date:2022-05-23
Release date:2022-10-12
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.82 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
7ZY2
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BU of 7zy2 by Molmil
Crystal structure of compound 7 bound to CK2alpha
Descriptor: 5-bromanyl-1~{H}-indole, ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Brear, P, Fusco, C, Atkinson, E, Rossmann, M, Francis, N, Iegre, J, Hyvonen, M, Spring, D.
Deposit date:2022-05-23
Release date:2022-10-12
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.51 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
7ZYR
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BU of 7zyr by Molmil
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
7ZYO
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BU of 7zyo by Molmil
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
8AEK
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BU of 8aek by Molmil
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
7ZYK
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BU of 7zyk by Molmil
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
8AEM
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BU of 8aem by Molmil
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
8AE7
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BU of 8ae7 by Molmil
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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