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PDB: 211 results

4FPC
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BU of 4fpc by Molmil
Crystal structure of the NanB sialidase from streptococcus pneumoniae in complex with 2-[(4-Chlorobenzyl)ammonio]ethanesulfonate
Descriptor: 2-[(4-chlorobenzyl)amino]ethanesulfonic acid, GLYCEROL, Sialidase B
Authors:Brear, P.
Deposit date:2012-06-22
Release date:2012-10-31
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Synthesis and structural characterisation of selective non-carbohydrate-based inhibitors of bacterial sialidases.
Chembiochem, 13, 2012
4FQ4
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BU of 4fq4 by Molmil
Crystal structure of the NanB sialidase from streptococcus pneumoniae in complex with 2-[(4-Fluoro-3-methylbenzyl)ammonio]ethanesulfonate
Descriptor: 2-[(4-fluoro-3-methylbenzyl)amino]ethanesulfonic acid, DIMETHYL SULFOXIDE, Sialidase B
Authors:Brear, P.
Deposit date:2012-06-25
Release date:2012-10-31
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.843 Å)
Cite:Synthesis and structural characterisation of selective non-carbohydrate-based inhibitors of bacterial sialidases.
Chembiochem, 13, 2012
5CVH
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BU of 5cvh by Molmil
Crystal Structure of CK2alpha
Descriptor: ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, Casein kinase II subunit alpha, ...
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:2024-01-10
Method:X-RAY DIFFRACTION (1.848 Å)
Cite:Specific inhibition of CK2 alpha from an anchor outside the active site.
Chem Sci, 7, 2016
4FOY
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BU of 4foy by Molmil
Crystal structure of the NanB sialidase from streptococcus pneumoniae in complex with 2-(Benzylammonio)ethanesulfonate
Descriptor: 2-(benzylamino)ethanesulfonic acid, DIMETHYL SULFOXIDE, Sialidase B
Authors:Brear, P.
Deposit date:2012-06-21
Release date:2012-10-31
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.843 Å)
Cite:Synthesis and structural characterisation of selective non-carbohydrate-based inhibitors of bacterial sialidases.
Chembiochem, 13, 2012
4FPH
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BU of 4fph by Molmil
Crystal structure of the NanB sialidase from streptococcus pneumoniae in complex with 2-[(3-Fluorobenzyl)ammonio]ethanesulfonate
Descriptor: 2-[(3-fluorobenzyl)amino]ethanesulfonic acid, DIMETHYL SULFOXIDE, Sialidase B
Authors:Brear, P.
Deposit date:2012-06-22
Release date:2012-10-31
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.938 Å)
Cite:Synthesis and structural characterisation of selective non-carbohydrate-based inhibitors of bacterial sialidases.
Chembiochem, 13, 2012
4FPK
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BU of 4fpk by Molmil
Crystal structure of the NanB sialidase from streptococcus pneumoniae in complex with 2-[(3-methylbenzyl)ammonio]ethanesulfonate
Descriptor: 2-[(3-methylbenzyl)amino]ethanesulfonic acid, DIMETHYL SULFOXIDE, Sialidase B
Authors:Brear, P.
Deposit date:2012-06-22
Release date:2012-10-31
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Synthesis and structural characterisation of selective non-carbohydrate-based inhibitors of bacterial sialidases.
Chembiochem, 13, 2012
4FPF
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BU of 4fpf by Molmil
Crystal structure of the NanB sialidase from streptococcus pneumoniae in complex with 2-[(3-Chlorobenzyl)ammonio]ethanesulfonate
Descriptor: 2-[(3-chlorobenzyl)amino]ethanesulfonic acid, DIMETHYL SULFOXIDE, Sialidase B
Authors:Brear, P.
Deposit date:2012-06-22
Release date:2012-10-31
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Synthesis and structural characterisation of selective non-carbohydrate-based inhibitors of bacterial sialidases.
Chembiochem, 13, 2012
5OQU
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BU of 5oqu by Molmil
The crystal structure of CK2alpha in complex with compound 5
Descriptor: ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ...
Authors:Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D.
Deposit date:2017-08-14
Release date:2018-02-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.324 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
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
5OS8
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BU of 5os8 by Molmil
The crystal structure of CK2alpha in complex with compound 11
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:2017-08-17
Release date:2018-02-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Second-generation CK2 alpha inhibitors targeting the alpha D pocket.
Chem Sci, 9, 2018
5OTI
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BU of 5oti by Molmil
The crystal structure of CK2alpha in complex with compound 27
Descriptor: ACETATE ION, Casein kinase II subunit alpha, ~{N}-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]-2-(5-methyl-1~{H}-benzimidazol-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:2017-08-22
Release date:2018-02-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Second-generation CK2 alpha inhibitors targeting the alpha D pocket.
Chem Sci, 9, 2018
5OTS
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BU of 5ots by Molmil
The crystal structure of CK2alpha in complex with an analogue of compound 22
Descriptor: 2-(1~{H}-benzimidazol-2-yl)ethyl-[[3,5-bis(chloranyl)-4-phenyl-phenyl]methyl]azanium, 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 (1.9 Å)
Cite:Second-generation CK2 alpha inhibitors targeting the alpha D pocket.
Chem Sci, 9, 2018
5OTY
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BU of 5oty by Molmil
The crystal structure of CK2alpha in complex with CAM4712
Descriptor: 2-(1~{H}-benzimidazol-2-yl)-~{N}-[[3,5-bis(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 (1.48 Å)
Cite:Second-generation CK2 alpha inhibitors targeting the alpha D pocket.
Chem Sci, 9, 2018
5OYF
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BU of 5oyf by Molmil
The crystal structure of CK2alpha in complex with compound 31
Descriptor: 2-(1~{H}-benzimidazol-2-yl)-~{N}-[[4-(2-ethylphenyl)-3-methyl-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:2017-09-08
Release date:2018-02-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Second-generation CK2 alpha inhibitors targeting the alpha D pocket.
Chem Sci, 9, 2018
5OUL
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BU of 5oul by Molmil
The crystal structure of CK2alpha in complex with compound 9
Descriptor: ACETATE ION, Casein kinase II subunit alpha, [3-chloranyl-4-(3-fluorophenyl)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:2017-08-24
Release date:2018-02-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.34 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

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