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PDB: 58 results

5ORK
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BU of 5ork by Molmil
The crystal structure of CK2alpha in complex with compound 6
Descriptor: ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, Casein kinase II subunit alpha, ...
Authors:Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D.
Deposit date:2017-08-16
Release date:2018-02-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.143 Å)
Cite:Second-generation CK2 alpha inhibitors targeting the alpha D pocket.
Chem Sci, 9, 2018
5OSL
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BU of 5osl by Molmil
The crystal structure of CK2alpha in complex with compound 7
Descriptor: 2-[4-(aminomethyl)-2-chloranyl-phenyl]phenol, ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D.
Deposit date:2017-08-17
Release date:2018-02-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Second-generation CK2 alpha inhibitors targeting the alpha D pocket.
Chem Sci, 9, 2018
5OTR
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BU of 5otr by Molmil
The crystal structure of CK2alpha in complex with compound 14
Descriptor: ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, Casein kinase II subunit alpha, ...
Authors:Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D.
Deposit date:2017-08-22
Release date:2018-02-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Second-generation CK2 alpha inhibitors targeting the alpha D pocket.
Chem Sci, 9, 2018
5OTZ
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BU of 5otz by Molmil
The crystal structure of CK2alpha in complex with compound 1
Descriptor: ACETATE ION, Casein kinase II subunit alpha, [3,5-bis(chloranyl)-4-(2-ethylphenyl)phenyl]methanamine, ...
Authors:Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D.
Deposit date:2017-08-22
Release date:2018-02-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Second-generation CK2 alpha inhibitors targeting the alpha D pocket.
Chem Sci, 9, 2018
5OSR
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BU of 5osr by Molmil
The crystal structure of CK2alpha in complex with an analogue of compound 1
Descriptor: ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, Casein kinase II subunit alpha, ...
Authors:Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D.
Deposit date:2017-08-18
Release date:2018-09-05
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Second-generation CK2 alpha inhibitors targeting the alpha D pocket.
Chem Sci, 9, 2018
5OSU
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BU of 5osu by Molmil
The crystal structure of CK2alpha in complex with analogues of compound 1
Descriptor: ACETATE ION, Casein kinase II subunit alpha, [3-chloranyl-4-[2-methoxy-5-(trifluoromethyl)phenyl]phenyl]methanamine
Authors:Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D.
Deposit date:2017-08-18
Release date:2018-09-05
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Second-generation CK2 alpha inhibitors targeting the alpha D pocket.
Chem Sci, 9, 2018
5R4R
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BU of 5r4r by Molmil
PanDDA analysis group deposition -- Crystal Structure of HUMAN CLEAVAGE FACTOR IM in complex with EN08775-42
Descriptor: (5R)-3,3,5-trimethyl-5-[(1-phenyl-1H-1,2,3-triazol-4-yl)methyl]pyrrolidine-2,4-dione, ACETATE ION, Cleavage and polyadenylation specificity factor subunit 5, ...
Authors:Kidd, S.L, Mateu, N, Talon, R, Krojer, T, Aimon, A, Bradley, A.R, Fairhead, M, Diaz-Saez, L, Sore, H.F, Madin, A, Huber, K.V.M, von Delft, F, Spring, D.R.
Deposit date:2020-02-27
Release date:2020-07-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:PanDDA analysis group deposition
To Be Published
5R4S
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BU of 5r4s by Molmil
PanDDA analysis group deposition -- Crystal Structure of HUMAN CLEAVAGE FACTOR IM in complex with EN08775-45
Descriptor: (4S,5R)-4-hydroxy-5-methyl-5-[(1-phenyl-1H-1,2,3-triazol-4-yl)methyl]pyrrolidin-2-one, ACETATE ION, Cleavage and polyadenylation specificity factor subunit 5, ...
Authors:Kidd, S.L, Mateu, N, Talon, R, Krojer, T, Aimon, A, Bradley, A.R, Fairhead, M, Diaz-Saez, L, Sore, H.F, Madin, A, Huber, K.V.M, von Delft, F, Spring, D.R.
Deposit date:2020-02-27
Release date:2020-07-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:PanDDA analysis group deposition
To Be Published
5R4P
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BU of 5r4p by Molmil
PanDDA analysis group deposition -- Crystal Structure of HUMAN CLEAVAGE FACTOR IM in complex with NM450-1
Descriptor: (5S)-5-methyl-5-[(1-phenyl-1H-1,2,3-triazol-4-yl)methyl]pyrrolidine-2,4-dione, ACETATE ION, Cleavage and polyadenylation specificity factor subunit 5, ...
Authors:Kidd, S.L, Mateu, N, Talon, R, Krojer, T, Aimon, A, Bradley, A.R, Fairhead, M, Diaz-Saez, L, Sore, H.F, Madin, A, Huber, K.V.M, von Delft, F, Spring, D.R.
Deposit date:2020-02-27
Release date:2020-07-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:PanDDA analysis group deposition
To Be Published
5R4Q
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BU of 5r4q by Molmil
PanDDA analysis group deposition -- Crystal Structure of HUMAN CLEAVAGE FACTOR IM in complex with NM466-1
Descriptor: (3S)-3,4-dimethyl-3-propyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione, ACETATE ION, Cleavage and polyadenylation specificity factor subunit 5, ...
Authors:Kidd, S.L, Mateu, N, Talon, R, Krojer, T, Aimon, A, Bradley, A.R, Fairhead, M, Diaz-Saez, L, Sore, H.F, Madin, A, Huber, K.V.M, von Delft, F, Spring, D.R.
Deposit date:2020-02-27
Release date:2020-07-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:PanDDA analysis group deposition
To Be Published
5R4T
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BU of 5r4t by Molmil
PanDDA analysis group deposition -- Crystal Structure of HUMAN CLEAVAGE FACTOR IM in complex with SK-430
Descriptor: (5R)-5-{[1-(4-fluorophenyl)-1H-1,2,3-triazol-4-yl]methyl}-5-methylpyrrolidine-2,4-dione, ACETATE ION, Cleavage and polyadenylation specificity factor subunit 5, ...
Authors:Kidd, S.L, Mateu, N, Talon, R, Krojer, T, Aimon, A, Bradley, A.R, Fairhead, M, Diaz-Saez, L, Sore, H.F, Madin, A, Huber, K.V.M, von Delft, F, Spring, D.R.
Deposit date:2020-02-27
Release date:2020-07-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:PanDDA analysis group deposition
To Be Published
5R4U
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BU of 5r4u by Molmil
PanDDA analysis group deposition -- Crystal Structure of HUMAN CLEAVAGE FACTOR IM in complex with EN08775-43
Descriptor: (5S)-5-methyl-5-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrrolidine-2,4-dione, ACETATE ION, Cleavage and polyadenylation specificity factor subunit 5, ...
Authors:Kidd, S.L, Mateu, N, Talon, R, Krojer, T, Aimon, A, Bradley, A.R, Fairhead, M, Diaz-Saez, L, Sore, H.F, Madin, A, Huber, K.V.M, von Delft, F, Spring, D.R.
Deposit date:2020-02-27
Release date:2020-07-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:PanDDA analysis group deposition
To Be Published
5MO7
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BU of 5mo7 by Molmil
Crystal Structure of CK2alpha with N-(3-(((2-chloro-[1,1'-biphenyl]-4-yl)methyl)amino)propyl)methanesulfonamide bound
Descriptor: 3-[(3-chloranyl-4-phenyl-phenyl)methylamino]propanamide, Casein kinase II subunit alpha, PHOSPHATE 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:2024-01-17
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
5MOD
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BU of 5mod by Molmil
Crystal Structure of CK2alpha with N-(3-(((2-chloro-[1,1'-biphenyl]-4-yl)methyl)amino)propyl)methanesulfonamide bound
Descriptor: (3-chloranyl-4-propan-2-yloxy-phenyl)methanamine, ACETATE ION, Casein kinase II subunit alpha
Authors:Brear, P, De Fusco, C, Georgiou, K, Iegre, J, Sore, H, Hyvonen, M, Spring, D.
Deposit date:2016-12-14
Release date:2017-05-24
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.08 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
5MOE
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BU of 5moe by Molmil
Crystal Structure of CK2alpha with N-(3-(((2-chloro-[1,1'-biphenyl]-4-yl)methyl)amino)propyl)methanesulfonamide bound
Descriptor: ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, Casein kinase II subunit alpha, ...
Authors:Brear, P, De Fusco, C, Georgiou, K, Iegre, J, Sore, H, Hyvonen, M, Spring, D.
Deposit date:2016-12-14
Release date:2017-05-24
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.89 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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BU of 5mo5 by Molmil
Crystal Structure of CK2alpha with N-(3-(((2-chloro-[1,1'-biphenyl]-4-yl)methyl)amino)propyl)methanesulfonamide bound
Descriptor: ACETATE ION, Casein kinase II subunit alpha, PHOSPHATE 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:2024-01-17
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
5MP8
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BU of 5mp8 by Molmil
Crystal Structure of CK2alpha with ZT0432 bound
Descriptor: (3-chloranyl-4-phenyl-phenyl)methyl-methyl-azanium, ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Brear, P, De Fusco, C, Georgiou, K, Iegre, J, Sore, H, Hyvonen, M, Spring, D.
Deposit date:2016-12-16
Release date:2017-05-24
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.92 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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BU of 5mmr by Molmil
Crystal Structure of CK2alpha with N-((2-chloro-[1,1'-biphenyl]-4-yl)methyl)butane-1,4-diamine bound
Descriptor: ACETATE ION, Casein kinase II subunit alpha, PHOSPHATE 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:2024-01-17
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
5MO8
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BU of 5mo8 by Molmil
Crystal Structure of CK2alpha with N-(3-(((2-chloro-[1,1'-biphenyl]-4-yl)methyl)amino)propyl)methanesulfonamide bound
Descriptor: 3-[[3-[3-[(3-chloranyl-4-phenyl-phenyl)methylamino]propylamino]-3-oxidanylidene-propanoyl]amino]benzoic acid, ACETATE ION, Casein kinase II subunit alpha, ...
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:2024-01-17
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
5MO6
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BU of 5mo6 by Molmil
Crystal Structure of CK2alpha with N-(3-(((2-chloro-[1,1'-biphenyl]-4-yl)methyl)amino)propyl)methanesulfonamide bound
Descriptor: 3-[3-[(3-chloranyl-4-phenyl-phenyl)methylamino]propylamino]-3-oxidanylidene-propanoic acid, ACETATE ION, Casein kinase II subunit alpha, ...
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:2024-01-17
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
5OT6
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BU of 5ot6 by Molmil
The crystal structure of CK2alpha in complex with compound 19
Descriptor: (3-chloranyl-4-phenyl-phenyl)methyl-[2-(1~{H}-pyrrol-2-yl)ethyl]azanium, ACETATE ION, Casein kinase II subunit alpha, ...
Authors:Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D.
Deposit date:2017-08-21
Release date:2018-02-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Second-generation CK2 alpha inhibitors targeting the alpha D pocket.
Chem Sci, 9, 2018
5OTL
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BU of 5otl by Molmil
The crystal structure of CK2alpha in complex with compound 29
Descriptor: ACETATE ION, Casein kinase II subunit alpha, DI(HYDROXYETHYL)ETHER, ...
Authors:Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D.
Deposit date:2017-08-22
Release date:2018-02-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Second-generation CK2 alpha inhibitors targeting the alpha D pocket.
Chem Sci, 9, 2018
5OUM
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BU of 5oum by Molmil
The crystal structure of CK2alpha in complex with compound 21
Descriptor: ACETATE ION, Casein kinase II subunit alpha, ~{N}-[(3-chloranyl-4-phenyl-phenyl)methyl]-2-(1~{H}-imidazol-2-yl)ethanamine
Authors:Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D.
Deposit date:2017-08-24
Release date:2018-02-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Second-generation CK2 alpha inhibitors targeting the alpha D pocket.
Chem Sci, 9, 2018
5MOV
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BU of 5mov by Molmil
Crystal structure of Ck2alpha with ZT0633 bound
Descriptor: 4'-HYDROXYCINNAMIC ACID, Casein kinase II subunit alpha
Authors:Brear, P, De Fusco, C, Georgiou, K, Iegre, J, Sore, H, Hyvonen, M, Spring, D.
Deposit date:2016-12-14
Release date:2017-05-24
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.2 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
5MOW
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BU of 5mow by Molmil
Crystal Structure of CK2alpha with ZT0432 bound
Descriptor: 5-bromopyridine-2,3-diamine, ACETATE ION, Casein kinase II subunit alpha
Authors:Brear, P, De Fusco, C, Georgiou, K, Iegre, J, Sore, H, Hyvonen, M, Spring, D.
Deposit date:2016-12-14
Release date:2017-05-24
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.86 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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