8BYJ
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![BU of 8byj by Molmil](/molmil-images/mine/8byj) | The structures of Ace2 in complex with bicyclic peptide inhibitor | 分子名称: | 1-[3,5-bis(3-bromanylpropanoyl)-1,3,5-triazinan-1-yl]-3-bromanyl-propan-1-one, ALA-CYS-VAL-ARG-SER-HIS-CYS-SER-SER-LEU-LEU-PRO-ARG-ILE-HIS-CYS-ALA, Processed angiotensin-converting enzyme 2, ... | 著者 | Brear, P, Lulla, A, Harman, M, Dods, R, Chen, L, Bezerra, G, Demydchuk, Y, Stanway, S, Hyvonen, M. | 登録日 | 2022-12-13 | 公開日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | 主引用文献 | Structure-Guided Chemical Optimization of Bicyclic Peptide ( Bicycle ) Inhibitors of Angiotensin-Converting Enzyme 2. J.Med.Chem., 66, 2023
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1LR7
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![BU of 1lr7 by Molmil](/molmil-images/mine/1lr7) | |
6TUU
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![BU of 6tuu by Molmil](/molmil-images/mine/6tuu) | Leishmania infantum Rad51 surrogate LiRadA10 in complex with 5,6,7,8-tetrahydro-2-naphthoic acid | 分子名称: | 5,6,7,8-tetrahydronaphthalene-2-carboxylic acid, CHLORIDE ION, DNA repair and recombination protein RadA, ... | 著者 | Pantelejevs, T, Hyvonen, M. | 登録日 | 2020-01-08 | 公開日 | 2021-01-27 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | 主引用文献 | Development of dedicated crystallographic systems for structure-guided drug discovery To Be Published
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7QE2
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![BU of 7qe2 by Molmil](/molmil-images/mine/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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7QEE
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![BU of 7qee by Molmil](/molmil-images/mine/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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6Q62
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6GIH
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![BU of 6gih by Molmil](/molmil-images/mine/6gih) | Crystal Structure of CK2alpha with CAM187 bound | 分子名称: | ACETATE ION, Casein kinase II subunit alpha, [3-chloranyl-5-(1~{H}-indol-4-yl)phenyl]methanamine | 著者 | Brear, P, Iegre, J, North, A, De Fusco, C, Georgiou, K, Lubin, A, Carro, L, Sore, H, Hyvonen, M, Spring, D. | 登録日 | 2018-05-11 | 公開日 | 2018-05-23 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | 主引用文献 | Novel non-ATP competitive small molecules targeting the CK2 alpha / beta interface. Bioorg. Med. Chem., 26, 2018
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6H22
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![BU of 6h22 by Molmil](/molmil-images/mine/6h22) | Crystal structure of Mdm2 bound to a stapled peptide | 分子名称: | 12-(dimethylamino)-3,10-diethyl-N,N,N-trimethyl-3,10-dihydrodibenzo[3,4:7,8]cycloocta[1,2-d:5,6-d']bis([1,2,3]triazole)-5-aminium, E3 ubiquitin-protein ligase Mdm2, Stapled peptide | 著者 | Wang, X, Sharma, K, Spring, D.R, Hyvonen, M. | 登録日 | 2018-07-12 | 公開日 | 2019-07-31 | 最終更新日 | 2019-09-11 | 実験手法 | X-RAY DIFFRACTION (2.006 Å) | 主引用文献 | Water-soluble, stable and azide-reactive strained dialkynes for biocompatible double strain-promoted click chemistry. Org.Biomol.Chem., 17, 2019
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6Q4Q
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![BU of 6q4q by Molmil](/molmil-images/mine/6q4q) | 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
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6Q38
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![BU of 6q38 by Molmil](/molmil-images/mine/6q38) | 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
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7QEA
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![BU of 7qea by Molmil](/molmil-images/mine/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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7QG4
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![BU of 7qg4 by Molmil](/molmil-images/mine/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
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![BU of 7qef by Molmil](/molmil-images/mine/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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7QE1
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![BU of 7qe1 by Molmil](/molmil-images/mine/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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5HLZ
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7ZY0
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![BU of 7zy0 by Molmil](/molmil-images/mine/7zy0) | Crystal structure of compound 7 bound to CK2alpha | 分子名称: | 2-(5-bromanyl-1~{H}-indol-3-yl)ethanenitrile, ADENOSINE-5'-DIPHOSPHATE, Casein kinase II subunit alpha | 著者 | Brear, P, Fusco, C, Atkinson, E, Rossmann, M, Francis, N, Iegre, J, Hyvonen, M, Spring, D. | 登録日 | 2022-05-23 | 公開日 | 2022-10-12 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.44 Å) | 主引用文献 | A fragment-based approach leading to the discovery of inhibitors of CK2 alpha with a novel mechanism of action. Rsc Med Chem, 13, 2022
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7ZY8
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![BU of 7zy8 by Molmil](/molmil-images/mine/7zy8) | Crystal structure of compound 2 bound to CK2alpha | 分子名称: | 3-[3,5-bis(chloranyl)phenyl]propan-1-amine, ACETATE ION, Casein kinase II subunit alpha, ... | 著者 | Brear, P, Fusco, C, Atkinson, E, Rossmann, M, Francis, N, Iegre, J, Hyvonen, M, Spring, D. | 登録日 | 2022-05-24 | 公開日 | 2022-10-12 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | A fragment-based approach leading to the discovery of inhibitors of CK2 alpha with a novel mechanism of action. Rsc Med Chem, 13, 2022
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7ZY5
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![BU of 7zy5 by Molmil](/molmil-images/mine/7zy5) | Crystal structure of compound 2 bound to CK2alpha | 分子名称: | 1-NAPHTHOL, ACETATE ION, Casein kinase II subunit alpha | 著者 | Brear, P, Fusco, C, Atkinson, E, Rossmann, M, Francis, N, Iegre, J, Hyvonen, M, Spring, D. | 登録日 | 2022-05-23 | 公開日 | 2022-10-12 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | 主引用文献 | A fragment-based approach leading to the discovery of inhibitors of CK2 alpha with a novel mechanism of action. Rsc Med Chem, 13, 2022
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7ZY2
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![BU of 7zy2 by Molmil](/molmil-images/mine/7zy2) | Crystal structure of compound 7 bound to CK2alpha | 分子名称: | 5-bromanyl-1~{H}-indole, ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, ... | 著者 | Brear, P, Fusco, C, Atkinson, E, Rossmann, M, Francis, N, Iegre, J, Hyvonen, M, Spring, D. | 登録日 | 2022-05-23 | 公開日 | 2022-10-12 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.51 Å) | 主引用文献 | A fragment-based approach leading to the discovery of inhibitors of CK2 alpha with a novel mechanism of action. Rsc Med Chem, 13, 2022
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5HLY
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6RK1
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![BU of 6rk1 by Molmil](/molmil-images/mine/6rk1) | Crystal structure of TSP1 domain from CCN3 | 分子名称: | CCN family member 3, CHLORIDE ION, GLYCEROL, ... | 著者 | Xu, E.-R, Hyvonen, M. | 登録日 | 2019-04-29 | 公開日 | 2019-10-02 | 最終更新日 | 2020-02-19 | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | 主引用文献 | The thrombospondin module 1 domain of the matricellular protein CCN3 shows an atypical disulfide pattern and incomplete CWR layers. Acta Crystallogr D Struct Biol, 76, 2020
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6Y3A
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6YPH
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6YPN
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6YPG
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![BU of 6ypg by Molmil](/molmil-images/mine/6ypg) | |