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PDB: 209 件
5OTQ
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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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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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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
5OUU
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BU of 5ouu by Molmil
The crystal structure of CK2alpha in complex with compound 22
分子名称: 2-(1~{H}-benzimidazol-2-yl)-~{N}-[(3-chloranyl-4-phenyl-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2017-08-25
公開日2018-02-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献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
分子名称: 2-(5-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2018-02-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Second-generation CK2 alpha inhibitors targeting the alpha D pocket.
Chem Sci, 9, 2018
5OTH
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BU of 5oth by Molmil
The crystal structure of CK2alpha in complex with compound 26
分子名称: ACETATE ION, Casein kinase II subunit alpha, DIMETHYL SULFOXIDE, ...
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 (1.69 Å)
主引用文献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
分子名称: ADENOSINE-5'-DIPHOSPHATE, CHLORIDE 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2017-08-16
公開日2018-02-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.143 Å)
主引用文献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
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2017-08-22
公開日2018-02-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献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
分子名称: 2-[4-(aminomethyl)-2-chloranyl-phenyl]phenol, ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, ...
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 (1.95 Å)
主引用文献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
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 (1.57 Å)
主引用文献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
分子名称: ACETATE ION, Casein kinase II subunit alpha, [3-chloranyl-4-[2-methoxy-5-(trifluoromethyl)phenyl]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2017-08-18
公開日2018-09-05
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
8BE1
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BU of 8be1 by Molmil
SARS-CoV-2 RBD in complex with a Fab fragment of a neutralising antibody mRBD2
分子名称: Antibody heavy chain, Antibody light chain, SULFATE ION, ...
著者Lulla, A, Brear, P, Fischer, K, Hollfelder, F, Hyvonen, M.
登録日2022-10-21
公開日2023-01-25
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Microfluidics-enabled fluorescence-activated cell sorting of single pathogen-specific antibody secreting cells for the rapid discovery of monoclonal antibodies
Biorxiv, 2023
7QZU
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BU of 7qzu by Molmil
Structure of liver pyruvate kinase in complex with anthraquinone derivative 47
分子名称: (2~{S})-2-[2-[4-[3,4-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen-2-yl]sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-2-oxidanyl-butanedioic acid, 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, ...
著者Lulla, A, Foller, A, Nain-Perez, A, Grotli, M, Brear, P, Hyvonen, M.
登録日2022-01-31
公開日2022-04-06
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.964 Å)
主引用文献Anthraquinone derivatives as ADP-competitive inhibitors of liver pyruvate kinase.
Eur.J.Med.Chem., 234, 2022
7OO1
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BU of 7oo1 by Molmil
Structure, function and characterization of a second pyruvate kinase isozyme in Pseudomonas aeruginosa.
分子名称: Pyruvate kinase
著者Abdelhamid, Y, Wang, M, Parkhill, S, Brear, P, Welch, M.
登録日2021-05-26
公開日2021-11-03
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (3.01 Å)
主引用文献Structure, Function and Regulation of a Second Pyruvate Kinase Isozyme in Pseudomonas aeruginosa
Front Microbiol, 12, 2021
6YV5
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BU of 6yv5 by Molmil
Crystal Structure of Serine protease SplB N3Q/S154R from Staphylococcus aureus
分子名称: SODIUM ION, Serine protease
著者Rangel Pereira, M.R, Brear, P, Knyphausen, P, Jermutus, L, Hollfelder, F.
登録日2020-04-27
公開日2021-05-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Crystal Structure of Serine protease SplB N3Q/S154R from Staphylococcus aureus
To Be Published
6YV6
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Crystal Structure of Serine protease SplB N2K/N3Q/S154R from Staphylococcus aureus
分子名称: DI(HYDROXYETHYL)ETHER, PENTAETHYLENE GLYCOL, Serine protease
著者Rangel Pereira, M.R, Brear, P, Knyphausen, P, Jermutus, L, Hollfelder, F.
登録日2020-04-27
公開日2021-05-12
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献Crystal Structure of Serine protease SplB N2K/N3Q/S154R from Staphylococcus aureus
to be published
6Q43
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BU of 6q43 by Molmil
Atomic resolution crystal structure of an ABA collagen heterotrimer
分子名称: GLYCEROL, Leading Chain of the ABA collagen heterotrimer, Middle Chain of the ABA collagen heterotrimer, ...
著者Jalan, A.A, Hartgerink, J.D, Brear, P, Leitinger, B, Farndale, R.W.
登録日2018-12-05
公開日2019-12-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.16 Å)
主引用文献Atomic resolution crystal structure of an AAB collagen heterotrimer
Nat.Chem.Biol., 2019
6Q3P
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BU of 6q3p by Molmil
Atomic resolution crystal structure of an AAB collagen heterotrimer
分子名称: 1,2-ETHANEDIOL, GLYCEROL, Leading Chain of the AAB Collagen Heterotrimer, ...
著者Jalan, A.A, Hartgerink, J.D, Brear, P, Leitinger, B, Farndale, R.W.
登録日2018-12-04
公開日2019-12-18
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.03 Å)
主引用文献Atomic resolution crystal structure of an AAB collagen heterotrimer
Nat.Chem.Biol., 2019
6Q41
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Atomic resolution crystal structure of a BAA collagen heterotrimer
分子名称: 1,2-ETHANEDIOL, GLYCEROL, Leading chain of the BAA collagen heterotrimer, ...
著者Jalan, A.A, Hartgerink, J.D, Brear, P, Leitinger, B, Farndale, R.W.
登録日2018-12-05
公開日2019-12-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.03 Å)
主引用文献Atomic resolution crystal structure of an AAB collagen heterotrimer
Nat.Chem.Biol., 2019
6YZH
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BU of 6yzh by Molmil
Crystal structure of P8C9 bound to CK2alpha
分子名称: ADENOSINE-5'-DIPHOSPHATE, Casein kinase II subunit alpha, GLYCEROL, ...
著者Atkinson, E, Iegre, J, Brear, P, Baker, D, Sore, H, Hyvonen, M, Spring, D.
登録日2020-05-07
公開日2021-05-19
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (1.19 Å)
主引用文献Development of small cyclic peptides targeting the CK2 alpha / beta interface.
Chem.Commun.(Camb.), 58, 2022
6Z19
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BU of 6z19 by Molmil
Crystal structure of P8C9 bound to CK2alpha
分子名称: ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, Casein kinase II subunit alpha, ...
著者Atkinson, E, Iegre, J, Brear, P, Baker, D, Sore, H, Hyvonen, M, Spring, D.
登録日2020-05-13
公開日2021-05-26
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Development of small cyclic peptides targeting the CK2 alpha / beta interface.
Chem.Commun.(Camb.), 58, 2022
6ZQT
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BU of 6zqt by Molmil
Crystal structure of the RLIP76 Ral binding domain mutant (E427H/Q433L/K440R) in complex with RalB-GMPPNP
分子名称: GLYCEROL, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
著者Hurd, C, Brear, P, Revell, J, Ross, S, Mott, H, Owen, D.
登録日2020-07-10
公開日2020-11-25
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Affinity maturation of the RLIP76 Ral binding domain to inform the design of stapled peptides targeting the Ral GTPases.
J.Biol.Chem., 296, 2020
8CIB
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BU of 8cib by Molmil
Structural and functional analysis of the Pseudomonas aeruginosa PA1677 protein
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, Cysteine hydrolase, ...
著者Sonnleitner, E, Brear, P, Luisi, B.F, Blasi, U.
登録日2023-02-09
公開日2023-12-20
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Catabolite repression control protein antagonist, a novel player in Pseudomonas aeruginosa carbon catabolite repression control.
Front Microbiol, 14, 2023
6ZU0
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Crystal structure of citrate synthase (GltA) from Pseudomonas aeruginosa
分子名称: Citrate synthase
著者Wijaya, A.J, Brear, P, Dolan, S.K, Welch, M.
登録日2020-07-21
公開日2021-07-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.397 Å)
主引用文献Crystal structure of citrate synthase (GltA) from Pseudomonas aeruginosa
To Be Published
7A03
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The Structure of CHT
分子名称: CITRIC ACID, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Fernandes, G, Machado, E, Pereira, M, Brear, P, Lemos, E.
登録日2020-08-06
公開日2021-08-18
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.39 Å)
主引用文献Exploring the genome of Chitinophaga (CB10) for metalocarboxipeptidase activity
To Be Published

223166

件を2024-07-31に公開中

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