5MP8
| Crystal Structure of CK2alpha with ZT0432 bound | 分子名称: | (3-chloranyl-4-phenyl-phenyl)methyl-methyl-azanium, ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, ... | 著者 | Brear, P, De Fusco, C, Georgiou, K, Iegre, J, Sore, H, Hyvonen, M, Spring, D. | 登録日 | 2016-12-16 | 公開日 | 2017-05-24 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | 主引用文献 | 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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5MOT
| Crystal structure of CK2alpha with ZT0627 bound | 分子名称: | 4-HYDROXYBENZAMIDE, ACETATE ION, Casein kinase II subunit alpha | 著者 | Brear, P, De Fusco, C, Georgiou, K, Iegre, J, Sore, H, Hyvonen, M, Spring, D. | 登録日 | 2016-12-14 | 公開日 | 2017-05-24 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | 主引用文献 | 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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5MPJ
| 1-(2-chloro-[1,1'-biphenyl]-4-yl)-N-methylethanamine | 分子名称: | (3-chloranyl-4-phenyl-phenyl)methyl-ethyl-azanium, ADENOSINE-5'-DIPHOSPHATE, Casein kinase II subunit alpha, ... | 著者 | Brear, P, De Fusco, C, Georgiou, K, Iegre, J, Sore, H, Hyvonen, M, Spring, D. | 登録日 | 2016-12-16 | 公開日 | 2017-05-24 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.14 Å) | 主引用文献 | 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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5MMR
| Crystal Structure of CK2alpha with N-((2-chloro-[1,1'-biphenyl]-4-yl)methyl)butane-1,4-diamine bound | 分子名称: | ACETATE ION, Casein kinase II subunit alpha, PHOSPHATE ION, ... | 著者 | Brear, P, De Fusco, C, Georgiou, K, Iegre, J, Sore, H, Hyvonen, M, Spring, D. | 登録日 | 2016-12-12 | 公開日 | 2017-05-24 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | 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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5MO8
| Crystal Structure of CK2alpha with N-(3-(((2-chloro-[1,1'-biphenyl]-4-yl)methyl)amino)propyl)methanesulfonamide bound | 分子名称: | 3-[[3-[3-[(3-chloranyl-4-phenyl-phenyl)methylamino]propylamino]-3-oxidanylidene-propanoyl]amino]benzoic acid, ACETATE ION, Casein kinase II subunit alpha, ... | 著者 | Brear, P, De Fusco, C, Georgiou, K, Iegre, J, Sore, H, Hyvonen, M, Spring, D. | 登録日 | 2016-12-13 | 公開日 | 2017-05-24 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | 主引用文献 | 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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5MO6
| Crystal Structure of CK2alpha with N-(3-(((2-chloro-[1,1'-biphenyl]-4-yl)methyl)amino)propyl)methanesulfonamide bound | 分子名称: | 3-[3-[(3-chloranyl-4-phenyl-phenyl)methylamino]propylamino]-3-oxidanylidene-propanoic acid, ACETATE ION, Casein kinase II subunit alpha, ... | 著者 | Brear, P, De Fusco, C, Georgiou, K, Iegre, J, Sore, H, Hyvonen, M, Spring, D. | 登録日 | 2016-12-13 | 公開日 | 2017-05-24 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.825 Å) | 主引用文献 | 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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5OS7
| The crystal structure of CK2alpha in complex with compound 4 | 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 (1.66 Å) | 主引用文献 | Second-generation CK2 alpha inhibitors targeting the alpha D pocket. Chem Sci, 9, 2018
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5OSZ
| The crystal structure of CK2alpha in complex with compound 23 | 分子名称: | 2-(1~{H}-benzimidazol-2-yl)ethyl-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]azanium, 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 | 2017-08-18 | 公開日 | 2018-02-28 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Second-generation CK2 alpha inhibitors targeting the alpha D pocket. Chem Sci, 9, 2018
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5OT6
| The crystal structure of CK2alpha in complex with compound 19 | 分子名称: | (3-chloranyl-4-phenyl-phenyl)methyl-[2-(1~{H}-pyrrol-2-yl)ethyl]azanium, 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 | 2017-08-21 | 公開日 | 2018-02-28 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | 主引用文献 | Second-generation CK2 alpha inhibitors targeting the alpha D pocket. Chem Sci, 9, 2018
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5OTL
| The crystal structure of CK2alpha in complex with compound 29 | 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 | 2017-08-22 | 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
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5OUM
| The crystal structure of CK2alpha in complex with compound 21 | 分子名称: | ACETATE ION, Casein kinase II subunit alpha, ~{N}-[(3-chloranyl-4-phenyl-phenyl)methyl]-2-(1~{H}-imidazol-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 | 2017-08-24 | 公開日 | 2018-02-28 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Second-generation CK2 alpha inhibitors targeting the alpha D pocket. Chem Sci, 9, 2018
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8CIB
| 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
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7OO1
| 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
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4XYX
| NanB plus Optactamide | 分子名称: | Optactamide, PHOSPHATE ION, Sialidase B | 著者 | Rogers, G.W, Brear, P, Yang, L, Taylor, G.L, Westwood, N.J. | 登録日 | 2015-02-03 | 公開日 | 2016-02-10 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.1 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
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6YJF
| Plasmoodium vivax phosphoglycerate kinase bound to nitrofuran inhibitor from PEGSmear at pH 6.5 | 分子名称: | (2~{S})-2-(5-nitrofuran-2-yl)-2,3,5,6,7,8-hexahydro-1~{H}-[1]benzothiolo[2,3-d]pyrimidin-4-one, GLYCEROL, Phosphoglycerate kinase | 著者 | Hyvonen, M, Brear, P, Blaszczyk, B.K. | 登録日 | 2020-04-03 | 公開日 | 2021-04-14 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Phosphoglycerate Kinase as a potential target for antimalarial therapy to be published
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6Q43
| 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
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6Q3P
| 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
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6Q41
| 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
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6QXL
| Crystal Structure of Pyruvate Kinase II (PykA) from Pseudomonas aeruginosa in complex with sodium malonate, magnesium and glucose-6-phosphate | 分子名称: | 6-O-phosphono-alpha-D-glucopyranose, GLYCEROL, MAGNESIUM ION, ... | 著者 | Abdelhamid, Y, Brear, P, Welch, M. | 登録日 | 2019-03-07 | 公開日 | 2019-09-11 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.43 Å) | 主引用文献 | Evolutionary plasticity in the allosteric regulator-binding site of pyruvate kinase isoform PykA fromPseudomonas aeruginosa. J.Biol.Chem., 294, 2019
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7QE2
| Crystal structure of D-glucuronic acid bound to SN243 | 分子名称: | ACETATE ION, SN243, SULFATE ION, ... | 著者 | Neun, S, Brear, P, Campbell, E, Omari, K, Wagner, O, Hyvonen, M, Hollfelder, F. | 登録日 | 2021-12-01 | 公開日 | 2022-10-12 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Functional metagenomic screening identifies an unexpected beta-glucuronidase. Nat.Chem.Biol., 18, 2022
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7QG4
| Apo crystal structure of a mutant of SN243 (D415N) | 分子名称: | SN243, SULFATE ION, ZINC ION | 著者 | Neun, S, Brear, P, Campbell, E, Omari, K, Wagner, O, Hyvonen, M, Hollfelder, F. | 登録日 | 2021-12-07 | 公開日 | 2022-10-12 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.08 Å) | 主引用文献 | Functional metagenomic screening identifies an unexpected beta-glucuronidase. Nat.Chem.Biol., 18, 2022
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7QEF
| Crystal structure of para-nitrophenyl-Beta-D-glucuronide bound to a mutant of SN243 (D415A) | 分子名称: | 4-nitrophenyl beta-D-glucopyranosiduronic acid, ACETATE ION, SN243, ... | 著者 | Neun, S, Brear, P, Campbell, E, Omari, K, Wagner, O, Hyvonen, M, Hollfelder, F. | 登録日 | 2021-12-02 | 公開日 | 2022-10-12 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.41 Å) | 主引用文献 | Functional metagenomic screening identifies an unexpected beta-glucuronidase. Nat.Chem.Biol., 18, 2022
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7QEA
| Crystal structure of fluorescein-di-Beta-D-glucuronide bound to a mutant of SN243 (D415A) | 分子名称: | (2~{S},3~{S},4~{S},5~{R},6~{S})-3,4,5-tris(oxidanyl)-6-[(1~{R})-6'-oxidanyl-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-3'-yl]oxy-oxane-2-carboxylic acid, ACETATE ION, SN243, ... | 著者 | Neun, S, Brear, P, Campbell, E, Omari, K, Wagner, O, Hyvonen, M, Hollfelder, F. | 登録日 | 2021-12-01 | 公開日 | 2022-10-12 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.28 Å) | 主引用文献 | Functional metagenomic screening identifies an unexpected beta-glucuronidase. Nat.Chem.Biol., 18, 2022
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7QE1
| Crystal structure of apo SN243 | 分子名称: | SN243, ZINC ION | 著者 | Neun, S, Brear, P, Campbell, E, Omari, K, Wagner, O, Hyvonen, M, Hollfelder, F. | 登録日 | 2021-12-01 | 公開日 | 2022-10-12 | 最終更新日 | 2023-03-29 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Functional metagenomic screening identifies an unexpected beta-glucuronidase. Nat.Chem.Biol., 18, 2022
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7QEE
| SN243 mutant D415N bound to para-nitrophenyl-Beta-D-glucuronide | 分子名称: | 4-nitrophenyl beta-D-glucopyranosiduronic acid, SN243, SULFATE ION, ... | 著者 | Neun, S, Brear, P, Campbell, E, Omari, K, Wagner, O, Hyvonen, M, Hollfelder, F. | 登録日 | 2021-12-02 | 公開日 | 2022-11-16 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.374 Å) | 主引用文献 | Functional metagenomic screening identifies an unexpected beta-glucuronidase. Nat.Chem.Biol., 18, 2022
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