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PDB: 209 results
5CS6
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BU of 5cs6 by Molmil
Crystal Structure of CK2alpha with Compound 3 bound
Descriptor: 1-(3-chloro-4-propoxyphenyl)methanamine, ACETATE ION, Casein kinase II subunit alpha, ...
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:2024-01-10
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Specific inhibition of CK2 alpha from an anchor outside the active site.
Chem Sci, 7, 2016
5CU6
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BU of 5cu6 by Molmil
Crystal Structure of CK2alpha
Descriptor: ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, Casein kinase II subunit alpha
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:2024-01-10
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:Specific inhibition of CK2 alpha from an anchor outside the active site.
Chem Sci, 7, 2016
5CU3
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BU of 5cu3 by Molmil
Crystal structure of CK2alpha bound to CAM4066
Descriptor: ACETATE ION, Casein kinase II subunit alpha, DIMETHYL SULFOXIDE, ...
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:2024-01-10
Method:X-RAY DIFFRACTION (1.787 Å)
Cite:Specific inhibition of CK2 alpha from an anchor outside the active site.
Chem Sci, 7, 2016
5CSH
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BU of 5csh by Molmil
Crystal Structure of CK2alpha with Compound 4 bound
Descriptor: 1-(2-chlorobiphenyl-4-yl)methanamine, ACETATE ION, 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:2024-01-10
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Specific inhibition of CK2 alpha from an anchor outside the active site.
Chem Sci, 7, 2016
5CTP
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BU of 5ctp by Molmil
Crystal structure of CK2alpha with N-(3-(3-chloro-4-(phenyl)benzylamino)propyl)acetamide bound
Descriptor: ACETATE ION, Casein kinase II subunit alpha, 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:2024-01-10
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
5CVF
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BU of 5cvf by Molmil
Crystal Structure of CK2alpha with Compound 5 bound
Descriptor: 1-[3-chloro-4-(trifluoromethoxy)phenyl]methanamine, ACETATE ION, 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:2024-01-10
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Specific inhibition of CK2 alpha from an anchor outside the active site.
Chem Sci, 7, 2016
5CU2
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BU of 5cu2 by Molmil
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: 2-hydroxy-5-methylbenzoic acid, ACETATE ION, Casein kinase II subunit alpha, ...
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:2024-01-10
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
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
5CX9
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BU of 5cx9 by Molmil
Crystal structure of CK2alpha with (methyl 4-((3-(3-chloro-4-(phenyl)benzylamino)propyl)amino)-4-oxobutanoate bound
Descriptor: ACETATE ION, Casein kinase II subunit alpha, PHOSPHATE ION, ...
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:2024-01-10
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
4FPO
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BU of 4fpo by Molmil
Crystal structure of the NanB sialidase from streptococcus pneumoniae in complex with 2-[(3-chloro-4-methoxybenzyl)ammonio]ethanesulfonate
Descriptor: 2-[(3-chloro-4-methoxybenzyl)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 (2.591 Å)
Cite:Synthesis and structural characterisation of selective non-carbohydrate-based inhibitors of bacterial sialidases.
Chembiochem, 13, 2012
4FP2
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BU of 4fp2 by Molmil
Crystal structure of the NanB sialidase from streptococcus pneumoniae in complex with 2[(Cyclohexylmethyl)ammonio]sulfonate
Descriptor: 2-[(cyclohexylmethyl)amino]ethanesulfonic acid, Sialidase B
Authors:Brear, P.
Deposit date:2012-06-21
Release date:2012-10-31
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Synthesis and structural characterisation of selective non-carbohydrate-based inhibitors of bacterial sialidases.
Chembiochem, 13, 2012
4FPL
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BU of 4fpl by Molmil
Crystal structure of the NanB sialidase from streptococcus pneumoniae in complex with 2-[(3,4-dichlorobenzyl)ammonio]ethanesulfonate
Descriptor: 2-[(3,4-dichlorobenzyl)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 (2.1 Å)
Cite:Synthesis and structural characterisation of selective non-carbohydrate-based inhibitors of bacterial sialidases.
Chembiochem, 13, 2012
4FPE
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BU of 4fpe by Molmil
Crystal structure of the NanB sialidase from streptococcus pneumoniae in complex with 2-[(4-Methoxybenzyl)ammonio]ethanesulfonate
Descriptor: 2-[(4-methoxybenzyl)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 (2.181 Å)
Cite:Synthesis and structural characterisation of selective non-carbohydrate-based inhibitors of bacterial sialidases.
Chembiochem, 13, 2012
4FPG
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BU of 4fpg by Molmil
Crystal structure of the NanB sialidase from streptococcus pneumoniae in complex with 2-[(3-Hydroxybenzyl)ammonio]ethanesulfonate
Descriptor: 2-[(3-hydroxybenzyl)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 (2.576 Å)
Cite:Synthesis and structural characterisation of selective non-carbohydrate-based inhibitors of bacterial sialidases.
Chembiochem, 13, 2012
4FOW
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BU of 4fow by Molmil
Crystal structure of the NanB sialidase from streptococcus pneumoniae in complex with 3-ammoniopropane-1-sulfonate
Descriptor: 3-aminopropane-1-sulfonic 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 (2.1 Å)
Cite:Synthesis and structural characterisation of selective non-carbohydrate-based inhibitors of bacterial sialidases.
Chembiochem, 13, 2012
4FOQ
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BU of 4foq by Molmil
Crystal structure of the NanB sialidase from streptococcus pneumoniae in complex with 2-aminoethanesulfonic acid
Descriptor: 2-AMINOETHANESULFONIC 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 (1.99 Å)
Cite:Synthesis and structural characterisation of selective non-carbohydrate-based inhibitors of bacterial sialidases.
Chembiochem, 13, 2012
4FP3
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BU of 4fp3 by Molmil
Crystal structure of the NanB sialidase from streptococcus pneumoniae in complex with 2-[(Furan-2-ylmethyl)ammonio]sulfonate
Descriptor: 2-[(furan-2-ylmethyl)amino]ethanesulfonic acid, Sialidase B
Authors:Brear, P.
Deposit date:2012-06-21
Release date:2012-10-31
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.743 Å)
Cite:Synthesis and structural characterisation of selective non-carbohydrate-based inhibitors of bacterial sialidases.
Chembiochem, 13, 2012
4FPJ
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BU of 4fpj by Molmil
Crystal structure of the NanB sialidase from streptococcus pneumoniae in complex with 2-[(3-Methoxybenzyl)ammonio]ethanesulfonate
Descriptor: 2-[(3-methoxybenzyl)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 (1.981 Å)
Cite:Synthesis and structural characterisation of selective non-carbohydrate-based inhibitors of bacterial sialidases.
Chembiochem, 13, 2012
4FPY
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BU of 4fpy by Molmil
Crystal structure of the NanB sialidase from streptococcus pneumoniae in complex with 2-[(3-Bromobenzyl)ammonio]ethanesulfonate
Descriptor: 2-[(3-bromobenzyl)amino]ethanesulfonic acid, DIMETHYL SULFOXIDE, Sialidase B
Authors:Brear, P.
Deposit date:2012-06-23
Release date:2012-10-31
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Synthesis and structural characterisation of selective non-carbohydrate-based inhibitors of bacterial sialidases.
Chembiochem, 13, 2012
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
4FOV
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BU of 4fov by Molmil
Crystal structure of the NanB sialidase from streptococcus pneumoniae in complex with 3-Cyclohexyl-1-propylsulfonic acid
Descriptor: 3-CYCLOHEXYL-1-PROPYLSULFONIC 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 (2.29 Å)
Cite:Synthesis and structural characterisation of selective non-carbohydrate-based inhibitors of bacterial sialidases.
Chembiochem, 13, 2012
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
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

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数据于2024-05-29公开中

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