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PDB: 209 件
4XMI
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BU of 4xmi by Molmil
Crystal structure of the K499G mutant of NanB sialidase from Streptococcus pneumoniae
分子名称: DIMETHYL SULFOXIDE, PHOSPHATE ION, Sialidase B
著者Brear, P.
登録日2015-01-14
公開日2016-01-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献The Hunt for Serendipitous Allosteric Sites: Discovery of a novel allosteric inhibitor of the bacterial sialidase NanB
To be published
6Q38
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BU of 6q38 by Molmil
The Crystal structure of CK2a bound to P1-C4
分子名称: 3,5-bis(1-methyl-1,2,3-triazol-4-yl)benzoic acid, BENZOIC ACID, Casein kinase II subunit alpha, ...
著者Brear, P, Iegre, J, Baker, D, Tan, Y, Sore, H, Donovan, D, Spring, D, Chandra, V, Hyvonen, M.
登録日2018-12-03
公開日2019-04-24
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Efficient development of stable and highly functionalised peptides targeting the CK2 alpha /CK2 beta protein-protein interaction.
Chem Sci, 10, 2019
6Q4Q
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BU of 6q4q by Molmil
The Crystal structure of CK2a bound to P2-C4
分子名称: 3,5-bis(1-methyl-1,2,3-triazol-4-yl)benzoic acid, ACETATE ION, BENZOIC ACID, ...
著者Brear, P, Iegre, J, Baker, D, Tan, Y, Sore, H, Donovan, D, Spring, D, Chandra, V, Hyvonen, M.
登録日2018-12-06
公開日2019-04-24
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Efficient development of stable and highly functionalised peptides targeting the CK2 alpha /CK2 beta protein-protein interaction.
Chem Sci, 10, 2019
8AAA
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BU of 8aaa by Molmil
Crystal structure of SARS-CoV-2 S RBD in complex with a stapled peptide
分子名称: 1,1',1''-(1,3,5-triazinane-1,3,5-triyl)tripropan-1-one, Spike protein S1, Stapled peptide
著者Brear, P, Chen, L, Gaynor, K, Harman, M, Dods, R, Hyvonen, M.
登録日2022-06-30
公開日2023-06-28
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Multivalent bicyclic peptides are an effective antiviral modality that can potently inhibit SARS-CoV-2.
Nat Commun, 14, 2023
7A4Q
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BU of 7a4q by Molmil
The Crystal structure of RO4613269 bound to CK2alpha
分子名称: 2-methoxyimino-5-(quinolin-6-ylmethyl)-1,3-thiazol-4-one, Casein kinase II subunit alpha
著者Brear, P, Hyvonen, M.
登録日2020-08-20
公開日2022-06-08
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Chemical proteomics reveals the target landscape of 1,000 kinase inhibitors.
Nat.Chem.Biol., 2023
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
分子名称: 2-(benzylamino)ethanesulfonic acid, DIMETHYL SULFOXIDE, Sialidase B
著者Brear, P.
登録日2012-06-21
公開日2012-10-31
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.843 Å)
主引用文献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
分子名称: 2-[(3-fluorobenzyl)amino]ethanesulfonic acid, DIMETHYL SULFOXIDE, Sialidase B
著者Brear, P.
登録日2012-06-22
公開日2012-10-31
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.938 Å)
主引用文献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
分子名称: 2-[(3-methylbenzyl)amino]ethanesulfonic acid, DIMETHYL SULFOXIDE, Sialidase B
著者Brear, P.
登録日2012-06-22
公開日2012-10-31
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献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
分子名称: 2-[(3-chlorobenzyl)amino]ethanesulfonic acid, DIMETHYL SULFOXIDE, Sialidase B
著者Brear, P.
登録日2012-06-22
公開日2012-10-31
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Synthesis and structural characterisation of selective non-carbohydrate-based inhibitors of bacterial sialidases.
Chembiochem, 13, 2012
5OS8
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BU of 5os8 by Molmil
The crystal structure of CK2alpha in complex with compound 11
分子名称: ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, Casein kinase II subunit alpha, ...
著者Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D.
登録日2017-08-17
公開日2018-02-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献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
分子名称: ACETATE ION, Casein kinase II subunit alpha, ~{N}-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]-2-(5-methyl-1~{H}-benzimidazol-2-yl)ethanamine
著者Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D.
登録日2017-08-22
公開日2018-02-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献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
分子名称: 2-(1~{H}-benzimidazol-2-yl)ethyl-[[3,5-bis(chloranyl)-4-phenyl-phenyl]methyl]azanium, Casein kinase II subunit alpha
著者Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D.
登録日2017-08-22
公開日2018-09-05
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献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
分子名称: 2-(1~{H}-benzimidazol-2-yl)-~{N}-[[3,5-bis(chloranyl)-4-(2-ethylphenyl)phenyl]methyl]ethanamine, ACETATE ION, Casein kinase II subunit alpha, ...
著者Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D.
登録日2017-08-22
公開日2018-02-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Second-generation CK2 alpha inhibitors targeting the alpha D pocket.
Chem Sci, 9, 2018
5OQU
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BU of 5oqu by Molmil
The crystal structure of CK2alpha in complex with compound 5
分子名称: ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ...
著者Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D.
登録日2017-08-14
公開日2018-02-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.324 Å)
主引用文献Second-generation CK2 alpha inhibitors targeting the alpha D pocket.
Chem Sci, 9, 2018
5ORH
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BU of 5orh by Molmil
The crystal structure of CK2alpha in complex with compound 2
分子名称: ACETATE ION, Casein kinase II subunit alpha, [3-chloranyl-4-(2-methylphenyl)phenyl]methanamine
著者Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D.
登録日2017-08-16
公開日2018-02-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Second-generation CK2 alpha inhibitors targeting the alpha D pocket.
Chem Sci, 9, 2018
5OUE
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BU of 5oue by Molmil
The crystal structure of CK2alpha in complex with compound 20
分子名称: (3-chloranyl-4-phenyl-phenyl)methyl-[2-(1~{H}-imidazol-4-yl)ethyl]azanium, 3-methyl-5-oxidanyl-benzoic acid, ACETATE ION, ...
著者Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D.
登録日2017-08-23
公開日2018-02-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献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
分子名称: 2-(1~{H}-benzimidazol-2-yl)-~{N}-[[4-(2-ethylphenyl)-3-methyl-phenyl]methyl]ethanamine, ACETATE ION, Casein kinase II subunit alpha
著者Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D.
登録日2017-09-08
公開日2018-02-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Second-generation CK2 alpha inhibitors targeting the alpha D pocket.
Chem Sci, 9, 2018
5ORJ
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BU of 5orj by Molmil
The crystal structure of CK2alpha in complex with compound 3
分子名称: ADENOSINE-5'-DIPHOSPHATE, Casein kinase II subunit alpha, INOSITOL HEXAKISPHOSPHATE, ...
著者Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D.
登録日2017-08-16
公開日2018-02-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献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
分子名称: 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, ...
著者Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D.
登録日2017-08-22
公開日2018-09-05
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献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
分子名称: ACETATE ION, Casein kinase II subunit alpha, [3-chloranyl-4-(3-fluorophenyl)phenyl]methanamine, ...
著者Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D.
登録日2017-08-24
公開日2018-02-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献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
分子名称: ACETATE ION, Casein kinase II subunit alpha, DI(HYDROXYETHYL)ETHER, ...
著者Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D.
登録日2017-08-21
公開日2018-02-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献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
分子名称: ACETATE ION, Casein kinase II subunit alpha, DI(HYDROXYETHYL)ETHER, ...
著者Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D.
登録日2017-08-21
公開日2018-02-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献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
分子名称: 2-(1~{H}-benzimidazol-2-yl)-~{N}-[[4-(2-ethylphenyl)-3-methoxy-phenyl]methyl]ethanamine, ACETATE ION, Casein kinase II subunit alpha
著者Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D.
登録日2017-08-22
公開日2018-02-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献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
分子名称: ACETATE ION, Casein kinase II subunit alpha, [3,5-bis(chloranyl)-4-(2-ethylphenyl)phenyl]methanamine, ...
著者Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D.
登録日2017-08-22
公開日2018-02-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献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
分子名称: ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, Casein kinase II subunit alpha, ...
著者Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D.
登録日2017-08-18
公開日2018-09-05
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Second-generation CK2 alpha inhibitors targeting the alpha D pocket.
Chem Sci, 9, 2018

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