PDB: 957 件ウェブページステータス検索Chemie searchBIRD

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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
6FR1	Crystal structure of ERK2 in complex with an adenosine derivative 分子名称: DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, SULFATE ION, ... 著者 Gelin, M, Labesse, G. 登録日 2018-02-15 公開日 2019-03-13 実験手法 X-RAY DIFFRACTION (1.561 Å) 主引用文献 None To be published
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
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
6FLV	Crystal structure of ERK2 in complex with an adenosine derivative 分子名称: DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, SULFATE ION, ... 著者 Gelin, M, Labesse, G. 登録日 2018-01-29 公開日 2019-02-06 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.91 Å) 主引用文献 None To be published
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
6FQ7	Crystal structure of ERK2 in complex with an adenosine derivative 分子名称: 4-[6-azanyl-9-[(2~{R},3~{R},4~{S},5~{R})-5-(azidomethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]sulfanylbutanoic acid, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, ... 著者 Gelin, M, Labesse, G. 登録日 2018-02-13 公開日 2019-03-13 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 None To be published
6FMA	Crystal structure of ERK2 in complex with an adenosine derivative 分子名称: 3-[6-azanyl-9-[(2~{R},3~{R},4~{S},5~{R})-5-(azidomethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]sulfanylpropanoic acid, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, ... 著者 Gelin, M, Labesse, G. 登録日 2018-01-30 公開日 2019-03-13 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.667 Å) 主引用文献 None To be published
6FI3	Crystal structure of ERK2 in complex with an adenosine derivative 分子名称: (2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-(azanyloxymethyl)oxolane-3,4-diol, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, ... 著者 Gelin, M, Labesse, G. 登録日 2018-01-16 公開日 2019-01-30 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.52 Å) 主引用文献 Crystal structure of ERK2 in complex with an adenosine derivative To be published
6FJZ	Crystal structure of ERK2 in complex with an adenosine derivative 分子名称: (2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)-~{N}-prop-2-ynyl-oxolane-2-carboxamide, Mitogen-activated protein kinase 1, SULFATE ION 著者 Gelin, M, Labesse, G. 登録日 2018-01-23 公開日 2019-02-06 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.864 Å) 主引用文献 Crystal structure of ERK2 in complex with an adenosine derivative To be published
6FI6	Crystal structure of ERK2 in complex with an adenosine derivative 分子名称: (2~{R},3~{R},4~{S},5~{R})-2-(6-azanyl-8-diazanyl-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, ... 著者 Gelin, M, Labesse, G. 登録日 2018-01-17 公開日 2019-01-30 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 Crystal structure of ERK2 in complex with an adenosine derivative To be published
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
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
6FXV	Crystal structure of ERK2 in complex with an adenosine derivative 分子名称: DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, SULFATE ION, ... 著者 Gelin, M, Labesse, G. 登録日 2018-03-09 公開日 2019-03-20 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.53 Å) 主引用文献 None To be published
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
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
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
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
7WGE	Human NLRP1 complexed with thioredoxin 分子名称: MAGNESIUM ION, NACHT, LRR and PYD domains-containing protein 1, ... 著者 Zhang, Z, Ohto, U, Shimizu, T. 登録日 2021-12-28 公開日 2023-07-05 最終更新日 2023-10-18 実験手法 ELECTRON MICROSCOPY (3.4 Å) 主引用文献 Structural basis for thioredoxin-mediated suppression of NLRP1 inflammasome. Nature, 622, 2023
6X6C	Cryo-EM structure of NLRP1-DPP9-VbP complex 分子名称: Dipeptidyl peptidase 9, NACHT, LRR and PYD domains-containing protein 1, ... 著者 Hollingsworth, L.R, Sharif, H, Griswold, A.R, Fontana, P, Mintseris, J, Dagbay, K.B, Paulo, J.A, Gygi, S.P, Bachovchin, D.A, Wu, H. 登録日 2020-05-27 公開日 2021-03-10 最終更新日 2021-05-12 実験手法 ELECTRON MICROSCOPY (2.9 Å) 主引用文献 DPP9 sequesters the C terminus of NLRP1 to repress inflammasome activation. Nature, 592, 2021
6X6A	Cryo-EM structure of NLRP1-DPP9 complex 分子名称: Dipeptidyl peptidase 9, NACHT, LRR and PYD domains-containing protein 1 著者 Hollingsworth, L.R, Sharif, H, Griswold, A.R, Fontana, P, Mintseris, J, Dagbay, K.B, Paulo, J.A, Gygi, S.P, Bachovchin, D.A, Wu, H. 登録日 2020-05-27 公開日 2021-03-10 最終更新日 2024-03-06 実験手法 ELECTRON MICROSCOPY (3.6 Å) 主引用文献 DPP9 sequesters the C terminus of NLRP1 to repress inflammasome activation. Nature, 592, 2021
1KWP	Crystal Structure of MAPKAP2 分子名称: MAP Kinase Activated Protein Kinase 2, MERCURY (II) ION 著者 Meng, W, Swenson, L.L, Fitzgibbon, M.J, Hayakawa, K, ter Haar, E, Behrens, A.E, Fulghum, J.R, Lippke, J.A. 登録日 2002-01-30 公開日 2002-09-18 最終更新日 2024-02-14 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Structure of Mitogen-activated Protein Kinase-activated Protein (MAPKAP) Kinase 2 Suggests a Bifunctional Switch That Couples Kinase Activation with Nuclear Export J.Biol.Chem., 277, 2002
1NY3	Crystal structure of ADP bound to MAP KAP kinase 2 分子名称: ADENOSINE-5'-DIPHOSPHATE, MAP kinase-activated protein kinase 2 著者 Underwood, K.W, Parris, K.D, Federico, E, Mosyak, L, Shane, T, Taylor, M, Svenson, K, Liu, Y, Hsiao, C.L, Wolfrom, S, Maguire, M, Malakian, K, Telliez, J.B, Lin, L.L, Kriz, R.W, Seehra, J, Somers, W.S, Stahl, M.L. 登録日 2003-02-11 公開日 2003-10-14 最終更新日 2023-08-16 実験手法 X-RAY DIFFRACTION (3 Å) 主引用文献 Catalytically active MAP KAP kinase 2 structures in complex with staurosporine and ADP reveal differences with the autoinhibited enzyme Structure, 11, 2003
1NXK	Crystal structure of staurosporine bound to MAP KAP kinase 2 分子名称: MAP kinase-activated protein kinase 2, STAUROSPORINE, SULFATE ION 著者 Underwood, K.W, Parris, K.D, Federico, E, Mosyak, L, Czerwinski, R.M, Shane, T, Taylor, M, Svenson, K, Liu, Y, Hsiao, C.L, Wolfrom, S, Malakian, K, Telliez, J.B, Lin, L.L, Kriz, R.W, Seehra, J, Somers, W.S, Stahl, M.L. 登録日 2003-02-10 公開日 2003-10-14 最終更新日 2011-07-13 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 Catalytically active MAP KAP kinase 2 structures in complex with staurosporine and ADP reveal differences with the autoinhibited enzyme Structure, 11, 2003
6T8X	Crystal structure of MAPKAPK2 (MK2) complexed with PF-3644022 and 5-(4-bromophenyl)-N-[4-(1-piperazinyl)phenyl]-N-(2-pyridinylmethyl)-2-furancarboxamide 分子名称: (10R)-10-methyl-3-(6-methylpyridin-3-yl)-9,10,11,12-tetrahydro-8H-[1,4]diazepino[5',6':4,5]thieno[3,2-f]quinolin-8-one, 5-(4-bromophenyl)-~{N}-(4-piperazin-1-ylphenyl)-~{N}-(pyridin-2-ylmethyl)furan-2-carboxamide, CHLORIDE ION, ... 著者 Beaumont, E.J, Barker, J. 登録日 2019-10-25 公開日 2021-05-12 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.81 Å) 主引用文献 Crystal structure of MAPKAPK2 (MK2) complexed with PF-3644022 and 5-(4-bromophenyl)-N-[4-(1-piperazinyl)phenyl]-N-(2-pyridinylmethyl)-2-furancarboxamide To Be Published

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