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PDB: 78 results

5OSZ
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BU of 5osz by Molmil
The crystal structure of CK2alpha in complex with compound 23
Descriptor: 2-(1~{H}-benzimidazol-2-yl)ethyl-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]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:2017-08-18
Release date:2018-02-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Second-generation CK2 alpha inhibitors targeting the alpha D pocket.
Chem Sci, 9, 2018
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
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
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
5ORJ
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BU of 5orj by Molmil
The crystal structure of CK2alpha in complex with compound 3
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Casein kinase II subunit alpha, INOSITOL HEXAKISPHOSPHATE, ...
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 (1.99 Å)
Cite:Second-generation CK2 alpha inhibitors targeting the alpha D pocket.
Chem Sci, 9, 2018
5OTP
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BU of 5otp by Molmil
The crystal structure of CK2alpha in complex with an analogue of compound 22
Descriptor: 2-[5,6-bis(chloranyl)-1~{H}-benzimidazol-2-yl]-~{N}-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]ethanamine, 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:2017-08-22
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
5OT5
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BU of 5ot5 by Molmil
The crystal structure of CK2alpha in complex with compound 24
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:2017-08-21
Release date:2018-02-28
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
5OTD
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BU of 5otd by Molmil
The crystal structure of CK2alpha in complex with compound 25
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:2017-08-21
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
5OTQ
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BU of 5otq by Molmil
The crystal structure of CK2alpha in complex with compound 33
Descriptor: 2-(1~{H}-benzimidazol-2-yl)-~{N}-[[4-(2-ethylphenyl)-3-methoxy-phenyl]methyl]ethanamine, 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:2017-08-22
Release date:2018-02-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.38 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
5OSP
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BU of 5osp 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 (1.91 Å)
Cite:Second-generation CK2 alpha inhibitors targeting the alpha D pocket.
Chem Sci, 9, 2018
5OUU
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BU of 5ouu by Molmil
The crystal structure of CK2alpha in complex with compound 22
Descriptor: 2-(1~{H}-benzimidazol-2-yl)-~{N}-[(3-chloranyl-4-phenyl-phenyl)methyl]ethanamine, 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:2017-08-25
Release date:2018-02-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Second-generation CK2 alpha inhibitors targeting the alpha D pocket.
Chem Sci, 9, 2018
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
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
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
5OTH
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BU of 5oth by Molmil
The crystal structure of CK2alpha in complex with compound 26
Descriptor: ACETATE ION, Casein kinase II subunit alpha, DIMETHYL SULFOXIDE, ...
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 (1.69 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
5OTO
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BU of 5oto by Molmil
The crystal structure of CK2alpha in complex with compound 30
Descriptor: 2-(5-chloranyl-1~{H}-benzimidazol-2-yl)-~{N}-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]ethanamine, 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:2017-08-22
Release date:2018-02-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Second-generation CK2 alpha inhibitors targeting the alpha D pocket.
Chem Sci, 9, 2018
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
5MOH
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BU of 5moh by Molmil
Crystal structure of CK2alpha with ZT0583 bound.
Descriptor: 2-(3-methoxy-4-oxidanyl-phenyl)ethanoic 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:2016-12-14
Release date:2017-05-24
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.38 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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PDB entries from 2024-06-19

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