PDB: 971 件ウェブページステータス検索Chemie searchBIRD

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6JB1	Structure of pancreatic ATP-sensitive potassium channel bound with repaglinide and ATPgammaS at 3.3A resolution 分子名称: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, ATP-binding cassette sub-family C member 8 isoform X2, ATP-sensitive inward rectifier potassium channel 11, ... 著者 Chen, L, Ding, D, Wang, M, Wu, J.-X, Kang, Y. 登録日 2019-01-25 公開日 2019-05-22 最終更新日 2021-09-29 実験手法 ELECTRON MICROSCOPY (3.3 Å) 主引用文献 The Structural Basis for the Binding of Repaglinide to the Pancreatic KATPChannel. Cell Rep, 27, 2019
6IYC	Recognition of the Amyloid Precursor Protein by Human gamma-secretase 分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... 著者 Zhou, R, Yang, G, Guo, X, Zhou, Q, Lei, J, Shi, Y. 登録日 2018-12-14 公開日 2019-01-23 最終更新日 2020-07-29 実験手法 ELECTRON MICROSCOPY (2.6 Å) 主引用文献 Recognition of the amyloid precursor protein by human gamma-secretase. Science, 363, 2019
6HWV	Crystal structure of p38alpha in complex with a photoswitchable 2-Azoimidazol-based Inhibitor (compound 3) 分子名称: 3-(2,5-dimethoxyphenyl)-~{N}-[4-[5-(4-fluorophenyl)-2-[(~{E})-(4-fluorophenyl)diazenyl]-3-methyl-imidazol-4-yl]pyridin-2-yl]propanamide, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside 著者 Mueller, M.P, Rauh, D. 登録日 2018-10-15 公開日 2019-04-17 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 2-Azo-, 2-diazocine-thiazols and 2-azo-imidazoles as photoswitchable kinase inhibitors: limitations and pitfalls of the photoswitchable inhibitor approach. Photochem. Photobiol. Sci., 18, 2019
6HWU	Crystal structure of p38alpha in complex with a photoswitchable 2-Azothiazol-based Inhibitor (compound 2) 分子名称: 3-(2,5-dimethoxyphenyl)-~{N}-[4-[4-(4-fluorophenyl)-2-[(~{E})-phenyldiazenyl]-1,3-thiazol-5-yl]pyridin-2-yl]propanamide, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside 著者 Mueller, M.P, Rauh, D. 登録日 2018-10-15 公開日 2019-04-17 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 2-Azo-, 2-diazocine-thiazols and 2-azo-imidazoles as photoswitchable kinase inhibitors: limitations and pitfalls of the photoswitchable inhibitor approach. Photochem. Photobiol. Sci., 18, 2019
6HWT	Crystal structure of p38alpha in complex with a reduced photoswitchable 2-Azothiazol-based Inhibitor (compound 31) 分子名称: 3-(2,5-dimethoxyphenyl)-~{N}-[4-[4-(4-fluorophenyl)-2-(2-phenylhydrazinyl)-1,3-thiazol-5-yl]pyridin-2-yl]propanamide, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside 著者 Mueller, M.P, Rauh, D. 登録日 2018-10-15 公開日 2019-04-17 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 2-Azo-, 2-diazocine-thiazols and 2-azo-imidazoles as photoswitchable kinase inhibitors: limitations and pitfalls of the photoswitchable inhibitor approach. Photochem. Photobiol. Sci., 18, 2019
6H09	HIV capsid hexamer with IP6 ligand 分子名称: Gag polyprotein, INOSITOL HEXAKISPHOSPHATE 著者 James, L.C. 登録日 2018-07-06 公開日 2018-08-15 最終更新日 2020-10-07 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 IP6 is an HIV pocket factor that prevents capsid collapse and promotes DNA synthesis. Elife, 7, 2018
6GJD	Erk2 signalling protein 分子名称: DIMETHYL SULFOXIDE, GLYCEROL, Mitogen-activated protein kinase 1, ... 著者 O'Reilly, M. 登録日 2018-05-16 公開日 2019-01-02 実験手法 X-RAY DIFFRACTION (1.58 Å) 主引用文献 Quantitation of ERK1/2 inhibitor cellular target occupancies with a reversible slow off-rate probe. Chem Sci, 9, 2018
6GJB	Erk2 signalling protein 分子名称: Mitogen-activated protein kinase 1, SULFATE ION, [(1~{R},4~{Z})-cyclooct-4-en-1-yl] ~{N}-[4-[4-[[4-[1-[(1~{S})-1-(4-chloranyl-3-fluoranyl-phenyl)-2-oxidanyl-ethyl]-2-oxidanylidene-pyridin-4-yl]pyrimidin-2-yl]amino]pyridin-2-yl]but-3-ynyl]carbamate 著者 O'Reilly, M. 登録日 2018-05-16 公開日 2019-01-02 実験手法 X-RAY DIFFRACTION (1.82 Å) 主引用文献 Quantitation of ERK1/2 inhibitor cellular target occupancies with a reversible slow off-rate probe. Chem Sci, 9, 2018
6GES	Crystal structure of ERK1 covalently bound to SM1-71 分子名称: 1,2-ETHANEDIOL, Mitogen-activated protein kinase 3, N-{2-[(5-chloro-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]phenyl}propanamide, ... 著者 Chaikuad, A, Suman, R, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gray, N.S, Knapp, S, Structural Genomics Consortium (SGC) 登録日 2018-04-27 公開日 2019-02-27 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.07 Å) 主引用文献 Leveraging Compound Promiscuity to Identify Targetable Cysteines within the Kinome. Cell Chem Biol, 26, 2019
6GE0	Fragment-based discovery of a highly potent, orally bioavailable inhibitor which modulates the phosphorylation and catalytic activity of ERK1/2 分子名称: 2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-[(1~{R})-1-(3-methoxyphenyl)ethyl]ethanamide, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, ... 著者 O'Reilly, M. 登録日 2018-04-25 公開日 2018-05-30 最終更新日 2018-06-27 実験手法 X-RAY DIFFRACTION (1.82 Å) 主引用文献 Fragment-Based Discovery of a Potent, Orally Bioavailable Inhibitor That Modulates the Phosphorylation and Catalytic Activity of ERK1/2. J. Med. Chem., 61, 2018
6GDQ	Fragment-based discovery of a highly potent, orally bioavailable inhibitor which modulates the phosphorylation and catalytic activity of ERK1/2 分子名称: 4-[5-chloranyl-2-(propan-2-ylamino)pyridin-4-yl]-~{N}-[(1~{S})-1-(3-chlorophenyl)-2-oxidanyl-ethyl]-1~{H}-pyrrole-2-carboxamide, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, ... 著者 O'Reilly, M. 登録日 2018-04-24 公開日 2018-05-30 最終更新日 2018-06-27 実験手法 X-RAY DIFFRACTION (1.86 Å) 主引用文献 Fragment-Based Discovery of a Potent, Orally Bioavailable Inhibitor That Modulates the Phosphorylation and Catalytic Activity of ERK1/2. J. Med. Chem., 61, 2018
6GDM	Fragment-based discovery of a highly potent, orally bioavailable inhibitor which modulates the phosphorylation and catalytic activity of ERK1/2 分子名称: (3~{R})-1-[2-oxidanylidene-2-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]-~{N}-(3-pyridin-4-yl-1~{H}-indazol-5-yl)pyrrolidine-3-carboxamide, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, ... 著者 O'Reilly, M. 登録日 2018-04-24 公開日 2018-05-30 最終更新日 2018-06-27 実験手法 X-RAY DIFFRACTION (1.91 Å) 主引用文献 Fragment-Based Discovery of a Potent, Orally Bioavailable Inhibitor That Modulates the Phosphorylation and Catalytic Activity of ERK1/2. J. Med. Chem., 61, 2018
6G9N	Fragment-based discovery of a highly potent, orally bioavailable inhibitor which modulates the phosphorylation and catalytic activity of ERK1/2 分子名称: (2~{R})-2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-[(1~{S})-1-(3-methylphenyl)-2-oxidanyl-ethyl]propanamide, Mitogen-activated protein kinase 1, SULFATE ION 著者 O'Reilly, M. 登録日 2018-04-11 公開日 2018-05-30 最終更新日 2018-06-27 実験手法 X-RAY DIFFRACTION (1.76 Å) 主引用文献 Fragment-Based Discovery of a Potent, Orally Bioavailable Inhibitor That Modulates the Phosphorylation and Catalytic Activity of ERK1/2. J. Med. Chem., 61, 2018
6G9M	Fragment-based discovery of a highly potent, orally bioavailable inhibitor which modulates the phosphorylation and catalytic activity of ERK1/2 分子名称: 2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-(2-phenylpropan-2-yl)ethanamide, Mitogen-activated protein kinase 1, SULFATE ION 著者 O'Reilly, M. 登録日 2018-04-11 公開日 2018-05-30 最終更新日 2018-06-27 実験手法 X-RAY DIFFRACTION (1.86 Å) 主引用文献 Fragment-Based Discovery of a Potent, Orally Bioavailable Inhibitor That Modulates the Phosphorylation and Catalytic Activity of ERK1/2. J. Med. Chem., 61, 2018
6G9K	Fragment-based discovery of a highly potent, orally bioavailable inhibitor which modulates the phosphorylation and catalytic activity of ERK1/2 分子名称: 2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-[(1~{S})-2-oxidanyl-1-phenyl-ethyl]ethanamide, Mitogen-activated protein kinase 1, SULFATE ION 著者 O'Reilly, M. 登録日 2018-04-11 公開日 2018-05-30 最終更新日 2018-06-27 実験手法 X-RAY DIFFRACTION (1.94 Å) 主引用文献 Fragment-Based Discovery of a Potent, Orally Bioavailable Inhibitor That Modulates the Phosphorylation and Catalytic Activity of ERK1/2. J. Med. Chem., 61, 2018
6G9J	Fragment-based discovery of a highly potent, orally bioavailable inhibitor which modulates the phosphorylation and catalytic activity of ERK1/2 分子名称: 2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-[(1~{R})-1-phenylethyl]ethanamide, Mitogen-activated protein kinase 1, SULFATE ION 著者 O'Reilly, M. 登録日 2018-04-10 公開日 2018-05-30 最終更新日 2018-06-27 実験手法 X-RAY DIFFRACTION (1.98 Å) 主引用文献 Fragment-Based Discovery of a Potent, Orally Bioavailable Inhibitor That Modulates the Phosphorylation and Catalytic Activity of ERK1/2. J. Med. Chem., 61, 2018
6G9H	Fragment-based discovery of a highly potent, orally bioavailable inhibitor which modulates the phosphorylation and catalytic activity of ERK1/2 分子名称: Mitogen-activated protein kinase 1, SULFATE ION, ~{N}-~{tert}-butyl-2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-methyl-ethanamide 著者 O'Reilly, M. 登録日 2018-04-10 公開日 2018-05-30 最終更新日 2018-06-27 実験手法 X-RAY DIFFRACTION (1.73 Å) 主引用文献 Fragment-Based Discovery of a Potent, Orally Bioavailable Inhibitor That Modulates the Phosphorylation and Catalytic Activity of ERK1/2. J. Med. Chem., 61, 2018
6G9D	Fragment-based discovery of a highly potent, orally bioavailable inhibitor which modulates the phosphorylation and catalytic activity of ERK1/2 分子名称: Mitogen-activated protein kinase 1, SULFATE ION, ~{N}-~{tert}-butyl-2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]ethanamide 著者 O'Reilly, M. 登録日 2018-04-10 公開日 2018-05-30 最終更新日 2018-06-27 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Fragment-Based Discovery of a Potent, Orally Bioavailable Inhibitor That Modulates the Phosphorylation and Catalytic Activity of ERK1/2. J. Med. Chem., 61, 2018
6G9A	Fragment-based discovery of a highly potent, orally bioavailable inhibitor which modulates the phosphorylation and catalytic activity of ERK1/2 分子名称: 6-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-2-(2-morpholin-4-ylethyl)-3~{H}-isoindol-1-one, Mitogen-activated protein kinase 1, SULFATE ION 著者 O'Reilly, M. 登録日 2018-04-10 公開日 2018-05-30 最終更新日 2018-06-27 実験手法 X-RAY DIFFRACTION (1.91 Å) 主引用文献 Fragment-Based Discovery of a Potent, Orally Bioavailable Inhibitor That Modulates the Phosphorylation and Catalytic Activity of ERK1/2. J. Med. Chem., 61, 2018
6G97	Fragment-based discovery of a highly potent, orally bioavailable inhibitor which modulates the phosphorylation and catalytic activity of ERK1/2 分子名称: 6-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-2-(2-methoxyethyl)-3~{H}-isoindol-1-one, Mitogen-activated protein kinase 1, SULFATE ION 著者 O'Reilly, M. 登録日 2018-04-10 公開日 2018-05-30 最終更新日 2018-06-27 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Fragment-Based Discovery of a Potent, Orally Bioavailable Inhibitor That Modulates the Phosphorylation and Catalytic Activity of ERK1/2. J. Med. Chem., 61, 2018
6G93	Fragment-based discovery of a highly potent, orally bioavailable inhibitor which modulates the phosphorylation and catalytic activity of ERK1/2 分子名称: 6-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-2,3-dihydroisoindol-1-one, Mitogen-activated protein kinase 1, SULFATE ION 著者 O'Reilly, M. 登録日 2018-04-10 公開日 2018-05-30 最終更新日 2018-06-27 実験手法 X-RAY DIFFRACTION (1.67 Å) 主引用文献 Fragment-Based Discovery of a Potent, Orally Bioavailable Inhibitor That Modulates the Phosphorylation and Catalytic Activity of ERK1/2. J. Med. Chem., 61, 2018
6G92	Fragment-based discovery of a highly potent, orally bioavailable inhibitor which modulates the phosphorylation and catalytic activity of ERK1/2 分子名称: Mitogen-activated protein kinase 1, SULFATE ION, ~{N}-(1,5-dimethylpyrazol-4-yl)-5-methyl-pyrimidin-2-amine 著者 O'Reilly, M. 登録日 2018-04-10 公開日 2018-05-30 最終更新日 2018-06-27 実験手法 X-RAY DIFFRACTION (1.99 Å) 主引用文献 Fragment-Based Discovery of a Potent, Orally Bioavailable Inhibitor That Modulates the Phosphorylation and Catalytic Activity of ERK1/2. J. Med. Chem., 61, 2018
6G91	Fragment-based discovery of a highly potent, orally bioavailable inhibitor which modulates the phosphorylation and catalytic activity of ERK1/2 分子名称: 5-chloranyl-~{N}-(oxan-4-yl)pyrimidin-2-amine, Mitogen-activated protein kinase 1, SULFATE ION 著者 O'Reilly, M. 登録日 2018-04-10 公開日 2018-05-30 最終更新日 2018-06-27 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Fragment-Based Discovery of a Potent, Orally Bioavailable Inhibitor That Modulates the Phosphorylation and Catalytic Activity of ERK1/2. J. Med. Chem., 61, 2018
6G8X	Fragment-based discovery of a highly potent, orally bioavailable inhibitor which modulates the phosphorylation and catalytic activity of ERK1/2 分子名称: 4-chloranyl-1~{H}-indazol-3-amine, Mitogen-activated protein kinase 1, SULFATE ION 著者 O'Reilly, M. 登録日 2018-04-10 公開日 2018-05-30 最終更新日 2018-06-27 実験手法 X-RAY DIFFRACTION (1.76 Å) 主引用文献 Fragment-Based Discovery of a Potent, Orally Bioavailable Inhibitor That Modulates the Phosphorylation and Catalytic Activity of ERK1/2. J. Med. Chem., 61, 2018
6G54	Crystal structure of ERK2 covalently bound to SM1-71 分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Mitogen-activated protein kinase 1, ... 著者 Chaikuad, A, Suman, R, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gray, N.S, Knapp, S, Structural Genomics Consortium (SGC) 登録日 2018-03-29 公開日 2019-02-27 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.05 Å) 主引用文献 Leveraging Compound Promiscuity to Identify Targetable Cysteines within the Kinome. Cell Chem Biol, 26, 2019

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