PDB: 160395 件ウェブページステータス検索Chemie searchBIRD

---

7OQO	Crystal structure of the human METTL3-METTL14 complex with compound UOZ111 分子名称: 2-oxidanyl-N-[[(3R)-3-oxidanyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methyl]-4-[[(3S)-3-propan-2-yl-2-azaspiro[3.3]heptan-2-yl]methyl]benzamide, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ... 著者 Bedi, R.K, Huang, D, Caflisch, A. 登録日 2021-06-03 公開日 2021-10-20 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (3.35 Å) 主引用文献 Structure-Based Design of Inhibitors of the m6A-RNA Writer Enzyme METTL3 Acs Bio Med Chem Au, 2023
5MMF	Crystal Structure of CK2alpha with Compound 7 bound 分子名称: (3-chloranyl-4-phenyl-phenyl)methyl-propyl-azanium, ACETATE ION, Casein kinase II subunit alpha 著者 Brear, P, De Fusco, C, Georgiou, K.H, Spring, D, Hyvonen, M. 登録日 2016-12-09 公開日 2017-05-24 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.99 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
5MO7	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-chloranyl-4-phenyl-phenyl)methylamino]propanamide, 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 2016-12-13 公開日 2017-05-24 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.15 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
5MOV	Crystal structure of Ck2alpha with ZT0633 bound 分子名称: 4'-HYDROXYCINNAMIC ACID, 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 (2.2 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
5J71	Crystal structure of pyruvate dehydrogenase kinase isoform 2 in complex with inhibitor PS35 分子名称: 4-({5-[(piperidin-4-yl)amino]-1,3-dihydro-2H-isoindol-2-yl}sulfonyl)benzene-1,3-diol, L(+)-TARTARIC ACID, [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, ... 著者 Gui, W.J, Tso, S.C, Chuang, J.L, Wu, C.Y, Qi, X, Wynn, R.M, Chuang, D.T. 登録日 2016-04-05 公開日 2017-01-25 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 Development of Dihydroxyphenyl Sulfonylisoindoline Derivatives as Liver-Targeting Pyruvate Dehydrogenase Kinase Inhibitors. J. Med. Chem., 60, 2017
6HMX	RIP2 Kinase Catalytic Domain complex with N(4,5dimethyl1Hpyrazol3yl)7methoxy6(2methylpropane2sulfonyl)quinolin4amine 分子名称: 6-~{tert}-butylsulfonyl-~{N}-(3,4-dimethyl-1~{H}-pyrazol-5-yl)-7-methoxy-quinolin-4-amine, Receptor-interacting serine/threonine-protein kinase 2 著者 Convery, M.A, Haile, P.A. 登録日 2018-09-13 公開日 2018-11-07 最終更新日 2024-05-15 実験手法 X-RAY DIFFRACTION (2.53 Å) 主引用文献 Identification of Quinoline-Based RIP2 Kinase Inhibitors with an Improved Therapeutic Index to the hERG Ion Channel. ACS Med Chem Lett, 9, 2018
7OGJ	Crystal structure of human METTL1 in complex with SAH 分子名称: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... 著者 Nai, F, Bedi, R.K, Caflisch, A. 登録日 2021-05-06 公開日 2021-05-19 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.59 Å) 主引用文献 Small-Molecule Inhibitors of the m7G-RNA Writer METTL1 Acs Bio Med Chem Au, 2023
5MOD	Crystal Structure of CK2alpha with N-(3-(((2-chloro-[1,1'-biphenyl]-4-yl)methyl)amino)propyl)methanesulfonamide bound 分子名称: (3-chloranyl-4-propan-2-yloxy-phenyl)methanamine, 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 (2.08 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
5MOW	Crystal Structure of CK2alpha with ZT0432 bound 分子名称: 5-bromopyridine-2,3-diamine, 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 (1.86 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
7BA7	Cys-42-tethered stabilizer 9 of 14-3-3(sigma)/ERa PPI 分子名称: 14-3-3 protein sigma, 2-[3,5-bis(chloranyl)phenoxy]-2-methyl-~{N}-(2-sulfanylethyl)propanamide, Estrogen receptor, ... 著者 Sijbesma, E, Ottmann, C. 登録日 2020-12-15 公開日 2021-07-07 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.45 Å) 主引用文献 Exploration of a 14-3-3 PPI Pocket by Covalent Fragments as Stabilizers. Acs Med.Chem.Lett., 12, 2021
7BA5	Cys-42-tethered stabilizer 7 of 14-3-3(sigma)/ERa PPI 分子名称: 14-3-3 protein sigma, 2-(4-fluoranylphenoxy)-2-methyl-~{N}-(2-sulfanylethyl)propanamide, Estrogen receptor, ... 著者 Sijbesma, E, Ottmann, C. 登録日 2020-12-15 公開日 2021-07-07 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.45 Å) 主引用文献 Exploration of a 14-3-3 PPI Pocket by Covalent Fragments as Stabilizers. Acs Med.Chem.Lett., 12, 2021
7BA9	Cys-42-tethered stabilizer 11 of 14-3-3(sigma)/ERa PPI 分子名称: 14-3-3 protein sigma, 2-methyl-2-(4-methylphenoxy)-~{N}-(2-sulfanylethyl)propanamide, Estrogen receptor, ... 著者 Sijbesma, E, Ottmann, C. 登録日 2020-12-15 公開日 2021-07-07 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.48 Å) 主引用文献 Exploration of a 14-3-3 PPI Pocket by Covalent Fragments as Stabilizers. Acs Med.Chem.Lett., 12, 2021
7BAA	Cys-42-tethered stabilizer 12 of 14-3-3(sigma)/ERa PPI 分子名称: 14-3-3 protein sigma, 2-(4-bromanyl-3-methoxy-phenoxy)-2-methyl-~{N}-(2-sulfanylethyl)propanamide, Estrogen receptor, ... 著者 Sijbesma, E, Ottmann, C. 登録日 2020-12-15 公開日 2021-07-07 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.1 Å) 主引用文献 Exploration of a 14-3-3 PPI Pocket by Covalent Fragments as Stabilizers. Acs Med.Chem.Lett., 12, 2021
7B9T	Cys-45-tethered stabilizer 5 of 14-3-3(sigma)/ERa PPI 分子名称: 14-3-3 protein sigma, 2-(4-chlorophenyl)sulfanyl-~{N}-(3-sulfanylpropyl)ethanamide, Estrogen receptor, ... 著者 Sijbesma, E, Ottmann, C. 登録日 2020-12-14 公開日 2021-07-07 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.15 Å) 主引用文献 Exploration of a 14-3-3 PPI Pocket by Covalent Fragments as Stabilizers. Acs Med.Chem.Lett., 12, 2021
7BA8	Cys-42-tethered stabilizer 10 of 14-3-3(sigma)/ERa PPI 分子名称: 14-3-3 protein sigma, 2-methyl-2-phenoxy-~{N}-(2-sulfanylethyl)propanamide, Estrogen receptor, ... 著者 Sijbesma, E, Ottmann, C. 登録日 2020-12-15 公開日 2021-07-07 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.2 Å) 主引用文献 Exploration of a 14-3-3 PPI Pocket by Covalent Fragments as Stabilizers. Acs Med.Chem.Lett., 12, 2021
7BA6	Cys-42-tethered stabilizer 8 of 14-3-3(sigma)/ERa PPI 分子名称: 14-3-3 protein sigma, 2-[3,5-bis(fluoranyl)phenoxy]-2-methyl-~{N}-(2-sulfanylethyl)propanamide, Estrogen receptor, ... 著者 Sijbesma, E, Ottmann, C. 登録日 2020-12-15 公開日 2021-07-07 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 Exploration of a 14-3-3 PPI Pocket by Covalent Fragments as Stabilizers. Acs Med.Chem.Lett., 12, 2021
7BAB	Cys-42-tethered stabilizer 13 of 14-3-3(sigma)/ERa PPI 分子名称: 14-3-3 protein sigma, 2-[2-chloranyl-4-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]phenoxy]-2-methyl-~{N}-(2-sulfanylethyl)propanamide, Estrogen receptor, ... 著者 Sijbesma, E, Ottmann, C. 登録日 2020-12-15 公開日 2021-07-07 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.3 Å) 主引用文献 Exploration of a 14-3-3 PPI Pocket by Covalent Fragments as Stabilizers. Acs Med.Chem.Lett., 12, 2021
7B9M	Cys-45-tethered stabilizer 3 of 14-3-3(sigma)/ERa PPI 分子名称: 14-3-3 protein sigma, 2-(2-cyanophenyl)sulfanyl-~{N}-(2-sulfanylethyl)benzamide, Estrogen receptor, ... 著者 Sijbesma, E, Ottmann, C. 登録日 2020-12-14 公開日 2021-07-07 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Exploration of a 14-3-3 PPI Pocket by Covalent Fragments as Stabilizers. Acs Med.Chem.Lett., 12, 2021
7B9R	Cys-45-tethered stabilizer 4 of 14-3-3(sigma)/ERa PPI 分子名称: 14-3-3 protein sigma, 2-(2-cyanophenyl)sulfanyl-~{N}-(3-sulfanylpropyl)benzamide, Estrogen receptor, ... 著者 Sijbesma, E, Ottmann, C. 登録日 2020-12-14 公開日 2021-07-07 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.15 Å) 主引用文献 Exploration of a 14-3-3 PPI Pocket by Covalent Fragments as Stabilizers. Acs Med.Chem.Lett., 12, 2021
7BA3	Cys-42-tethered stabilizer 6 of 14-3-3(sigma)/ERa PPI 分子名称: 14-3-3 protein sigma, 2-(4-bromanylphenoxy)-2-methyl-~{N}-(2-sulfanylethyl)propanamide, Estrogen receptor, ... 著者 Sijbesma, E, Ottmann, C. 登録日 2020-12-15 公開日 2021-07-07 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 Exploration of a 14-3-3 PPI Pocket by Covalent Fragments as Stabilizers. Acs Med.Chem.Lett., 12, 2021
7RSY	HIV-1 gp120 complex with CJF-III-049-R 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, HIV-1 gp120 Clade C1086, N~1~-{(1R,2R,3S)-2-(carbamimidamidomethyl)-3-[(3R)-3,4-dihydroxybutyl]-5-[(methylamino)methyl]-2,3-dihydro-1H-inden-1-yl}-N~2~-(4-chloro-3-fluorophenyl)ethanediamide 著者 Liang, S, Hendrickson, W.A. 登録日 2021-08-12 公開日 2022-06-08 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 Identification of gp120 Residue His105 as a Novel Target for HIV-1 Neutralization by Small-Molecule CD4-Mimics. Acs Med.Chem.Lett., 12, 2021
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
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
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
5MO5	Crystal Structure of CK2alpha with N-(3-(((2-chloro-[1,1'-biphenyl]-4-yl)methyl)amino)propyl)methanesulfonamide 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 2016-12-13 公開日 2017-05-24 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.04 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

<617618619620621622623624625626627628629630631632>