8AO3
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![BU of 8ao3 by Molmil](/molmil-images/mine/8ao3) | Specific covalent inhibitor of ERK2 | 分子名称: | 2-chloranyl-~{N}-(1~{H}-indazol-5-ylmethyl)ethanamide, Mitogen-activated protein kinase 1, SULFATE ION | 著者 | Cleasby, A. | 登録日 | 2022-08-08 | 公開日 | 2022-09-28 | 最終更新日 | 2022-10-05 | 実験手法 | X-RAY DIFFRACTION (1.778 Å) | 主引用文献 | X-ray Screening of an Electrophilic Fragment Library and Application toward the Development of a Novel ERK 1/2 Covalent Inhibitor. J.Med.Chem., 65, 2022
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8AOJ
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![BU of 8aoj by Molmil](/molmil-images/mine/8aoj) | Specific covalent inhibitor of ERK2 | 分子名称: | 1,2-ETHANEDIOL, 1-[(2~{S})-2-(5-methyl-3-pyridin-4-yl-1~{H}-pyrazol-4-yl)pyrrolidin-1-yl]propan-1-one, DIMETHYL SULFOXIDE, ... | 著者 | Cleasby, A. | 登録日 | 2022-08-08 | 公開日 | 2022-09-28 | 最終更新日 | 2022-10-05 | 実験手法 | X-RAY DIFFRACTION (1.12 Å) | 主引用文献 | X-ray Screening of an Electrophilic Fragment Library and Application toward the Development of a Novel ERK 1/2 Covalent Inhibitor. J.Med.Chem., 65, 2022
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8AO9
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![BU of 8ao9 by Molmil](/molmil-images/mine/8ao9) | Specific covalent inhibitor(10) of ERK2 | 分子名称: | 1,2-ETHANEDIOL, 1-(6,7-dihydro-4~{H}-[1,3]thiazolo[5,4-c]pyridin-5-yl)propan-1-one, DI(HYDROXYETHYL)ETHER, ... | 著者 | Cleasby, A. | 登録日 | 2022-08-08 | 公開日 | 2022-09-28 | 最終更新日 | 2022-10-05 | 実験手法 | X-RAY DIFFRACTION (1.624 Å) | 主引用文献 | X-ray Screening of an Electrophilic Fragment Library and Application toward the Development of a Novel ERK 1/2 Covalent Inhibitor. J.Med.Chem., 65, 2022
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8AOC
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![BU of 8aoc by Molmil](/molmil-images/mine/8aoc) | Specific covalent inhibitor of ERK2 | 分子名称: | 1,2-ETHANEDIOL, Mitogen-activated protein kinase 1, SULFATE ION, ... | 著者 | Cleasby, A. | 登録日 | 2022-08-08 | 公開日 | 2022-09-28 | 最終更新日 | 2022-10-05 | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | 主引用文献 | X-ray Screening of an Electrophilic Fragment Library and Application toward the Development of a Novel ERK 1/2 Covalent Inhibitor. J.Med.Chem., 65, 2022
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8AOG
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![BU of 8aog by Molmil](/molmil-images/mine/8aog) | Non-specific covalent inhibitor(17) of ERK2 | 分子名称: | 1,2-ETHANEDIOL, Mitogen-activated protein kinase 1, SULFATE ION, ... | 著者 | Cleasby, A. | 登録日 | 2022-08-08 | 公開日 | 2022-09-28 | 最終更新日 | 2022-10-05 | 実験手法 | X-RAY DIFFRACTION (1.603 Å) | 主引用文献 | X-ray Screening of an Electrophilic Fragment Library and Application toward the Development of a Novel ERK 1/2 Covalent Inhibitor. J.Med.Chem., 65, 2022
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8AOA
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![BU of 8aoa by Molmil](/molmil-images/mine/8aoa) | Covalent and non-covalent inhibitor of ERK2 (two sites) | 分子名称: | 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, ... | 著者 | Cleasby, A. | 登録日 | 2022-08-08 | 公開日 | 2022-09-28 | 最終更新日 | 2022-10-05 | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | 主引用文献 | X-ray Screening of an Electrophilic Fragment Library and Application toward the Development of a Novel ERK 1/2 Covalent Inhibitor. J.Med.Chem., 65, 2022
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8AOI
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![BU of 8aoi by Molmil](/molmil-images/mine/8aoi) | Specific covalent inhibitor(19) of ERK2 | 分子名称: | 1,2-ETHANEDIOL, 1-(2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)propan-1-one, Mitogen-activated protein kinase 1, ... | 著者 | Cleasby, A. | 登録日 | 2022-08-08 | 公開日 | 2022-09-28 | 最終更新日 | 2022-10-05 | 実験手法 | X-RAY DIFFRACTION (1.602 Å) | 主引用文献 | X-ray Screening of an Electrophilic Fragment Library and Application toward the Development of a Novel ERK 1/2 Covalent Inhibitor. J.Med.Chem., 65, 2022
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8AOH
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![BU of 8aoh by Molmil](/molmil-images/mine/8aoh) | Specific covalent inhibitor(18) of ERK2 | 分子名称: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | 著者 | Cleasby, A. | 登録日 | 2022-08-08 | 公開日 | 2022-09-28 | 最終更新日 | 2022-10-05 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | X-ray Screening of an Electrophilic Fragment Library and Application toward the Development of a Novel ERK 1/2 Covalent Inhibitor. J.Med.Chem., 65, 2022
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8AO2
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![BU of 8ao2 by Molmil](/molmil-images/mine/8ao2) | Specific covalent inhibitor (3) of ERK2 | 分子名称: | 1,2-ETHANEDIOL, Mitogen-activated protein kinase 1, SULFATE ION, ... | 著者 | Cleasby, A. | 登録日 | 2022-08-08 | 公開日 | 2022-09-28 | 最終更新日 | 2022-10-05 | 実験手法 | X-RAY DIFFRACTION (1.796 Å) | 主引用文献 | X-ray Screening of an Electrophilic Fragment Library and Application toward the Development of a Novel ERK 1/2 Covalent Inhibitor. J.Med.Chem., 65, 2022
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8AOD
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![BU of 8aod by Molmil](/molmil-images/mine/8aod) | Specific covalent inhibitor(14) of ERK2 | 分子名称: | 1,2-ETHANEDIOL, 1-(3-oxidanyl-2~{H}-quinoxalin-1-yl)propan-1-one, 4-prop-2-enoyl-1,3-dihydroquinoxalin-2-one, ... | 著者 | Cleasby, A. | 登録日 | 2022-08-08 | 公開日 | 2022-09-28 | 最終更新日 | 2022-10-05 | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | 主引用文献 | X-ray Screening of an Electrophilic Fragment Library and Application toward the Development of a Novel ERK 1/2 Covalent Inhibitor. J.Med.Chem., 65, 2022
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8AO7
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![BU of 8ao7 by Molmil](/molmil-images/mine/8ao7) | Specific covalent inhibitor (8) of ERK2 | 分子名称: | 1,2-ETHANEDIOL, Mitogen-activated protein kinase 1, SULFATE ION, ... | 著者 | Cleasby, A. | 登録日 | 2022-08-08 | 公開日 | 2022-09-28 | 最終更新日 | 2022-10-05 | 実験手法 | X-RAY DIFFRACTION (1.61 Å) | 主引用文献 | X-ray Screening of an Electrophilic Fragment Library and Application toward the Development of a Novel ERK 1/2 Covalent Inhibitor. J.Med.Chem., 65, 2022
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8AOE
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![BU of 8aoe by Molmil](/molmil-images/mine/8aoe) | Specific covalent inhibitor(15) of ERK2 | 分子名称: | 1,2-ETHANEDIOL, Mitogen-activated protein kinase 1, SULFATE ION, ... | 著者 | Cleasby, A. | 登録日 | 2022-08-08 | 公開日 | 2022-09-28 | 最終更新日 | 2023-05-24 | 実験手法 | X-RAY DIFFRACTION (1.687 Å) | 主引用文献 | X-ray Screening of an Electrophilic Fragment Library and Application toward the Development of a Novel ERK 1/2 Covalent Inhibitor. J.Med.Chem., 65, 2022
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6OPI
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![BU of 6opi by Molmil](/molmil-images/mine/6opi) | phosphorylated ERK2 with SCH-CPD336 | 分子名称: | (3R)-N-[3-(2-cyclopropylpyridin-4-yl)-1H-indazol-5-yl]-3-(methoxymethyl)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]-3,6-dihydropyridin-1(2H)-yl}ethyl)pyrrolidine-3-carboxamide, Mitogen-activated protein kinase 1 | 著者 | Vigers, G.P, Smith, D. | 登録日 | 2019-04-25 | 公開日 | 2019-07-31 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Activation loop dynamics are controlled by conformation-selective inhibitors of ERK2. Proc.Natl.Acad.Sci.USA, 116, 2019
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6OBH
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![BU of 6obh by Molmil](/molmil-images/mine/6obh) | |
6OPH
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![BU of 6oph by Molmil](/molmil-images/mine/6oph) | phosphorylated ERK2 with GDC-0994 | 分子名称: | 1-[(1~{S})-1-(4-chloranyl-3-fluoranyl-phenyl)-2-oxidanyl-ethyl]-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one, Mitogen-activated protein kinase 1 | 著者 | Vigers, G.P, Smith, D. | 登録日 | 2019-04-25 | 公開日 | 2019-07-31 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Activation loop dynamics are controlled by conformation-selective inhibitors of ERK2. Proc.Natl.Acad.Sci.USA, 116, 2019
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6OT6
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![BU of 6ot6 by Molmil](/molmil-images/mine/6ot6) | Rat ERK2 D319N | 分子名称: | Mitogen-activated protein kinase 1, SULFATE ION | 著者 | Taylor, C.A, Goldsmith, E.J, Cobb, M.H. | 登録日 | 2019-05-02 | 公開日 | 2019-07-10 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Functional divergence caused by mutations in an energetic hotspot in ERK2. Proc.Natl.Acad.Sci.USA, 116, 2019
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6OPG
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![BU of 6opg by Molmil](/molmil-images/mine/6opg) | phosphorylated ERK2 with AMP-PNP | 分子名称: | MAGNESIUM ION, Mitogen-activated protein kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | 著者 | Vigers, G.P, Smith, D. | 登録日 | 2019-04-25 | 公開日 | 2019-07-31 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Activation loop dynamics are controlled by conformation-selective inhibitors of ERK2. Proc.Natl.Acad.Sci.USA, 116, 2019
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6OMT
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6OPK
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![BU of 6opk by Molmil](/molmil-images/mine/6opk) | Phosphorylated ERK2 with Vertex-11e | 分子名称: | 4-{2-[(2-chloro-4-fluorophenyl)amino]-5-methylpyrimidin-4-yl}-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide, Mitogen-activated protein kinase 1 | 著者 | Vigers, G.P, Rudolph, J. | 登録日 | 2019-04-25 | 公開日 | 2019-07-31 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.54 Å) | 主引用文献 | Activation loop dynamics are controlled by conformation-selective inhibitors of ERK2. Proc.Natl.Acad.Sci.USA, 116, 2019
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6OTS
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![BU of 6ots by Molmil](/molmil-images/mine/6ots) | Rat ERK2 E320K | 分子名称: | Mitogen-activated protein kinase 1 | 著者 | Taylor, C.A, Cormier, K.W, Juang, Y.-C, Goldsmith, E.J, Cobb, M.H. | 登録日 | 2019-05-03 | 公開日 | 2019-07-10 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Functional divergence caused by mutations in an energetic hotspot in ERK2. Proc.Natl.Acad.Sci.USA, 116, 2019
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6PP9
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![BU of 6pp9 by Molmil](/molmil-images/mine/6pp9) | Crystal structure of BRAF:MEK1 complex | 分子名称: | 5-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-6-carboxamide, CHLORIDE ION, Dual specificity mitogen-activated protein kinase kinase 1, ... | 著者 | Li, K, Gonzalez Del-Pino, G, Park, E, Eck, M.J. | 登録日 | 2019-07-05 | 公開日 | 2019-10-09 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.59 Å) | 主引用文献 | Architecture of autoinhibited and active BRAF-MEK1-14-3-3 complexes. Nature, 575, 2019
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6Q0K
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![BU of 6q0k by Molmil](/molmil-images/mine/6q0k) | Structure of a MAPK pathway complex | 分子名称: | 14-3-3 protein zeta/delta, Serine/threonine-protein kinase B-raf | 著者 | Park, E, Rawson, S, Jeon, H, Eck, M.J. | 登録日 | 2019-08-01 | 公開日 | 2019-10-09 | 最終更新日 | 2020-04-22 | 実験手法 | ELECTRON MICROSCOPY (6.8 Å) | 主引用文献 | Architecture of autoinhibited and active BRAF-MEK1-14-3-3 complexes. Nature, 575, 2019
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6Q7K
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![BU of 6q7k by Molmil](/molmil-images/mine/6q7k) | ERK2 mini-fragment binding | 分子名称: | 1H-imidazol-2-amine, Mitogen-activated protein kinase 1, SULFATE ION | 著者 | O'Reilly, M, Cleasby, A, Davies, T.G, Hall, R, Ludlow, F, Murray, C.W, Tisi, D, Jhoti, H. | 登録日 | 2018-12-13 | 公開日 | 2019-03-27 | 最終更新日 | 2019-05-22 | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | 主引用文献 | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design. Drug Discov Today, 24, 2019
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6QA3
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![BU of 6qa3 by Molmil](/molmil-images/mine/6qa3) | ERK2 mini-fragment binding | 分子名称: | Mitogen-activated protein kinase 1, PYRAZOLE, SULFATE ION | 著者 | O'Reilly, M, Cleasby, A, Davies, T.G, Hall, R, Ludlow, F, Murray, C.W, Tisi, D, Jhoti, H. | 登録日 | 2018-12-18 | 公開日 | 2019-06-26 | 実験手法 | X-RAY DIFFRACTION (1.57 Å) | 主引用文献 | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design. Drug Discov Today, 24, 2019
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6QA1
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![BU of 6qa1 by Molmil](/molmil-images/mine/6qa1) | ERK2 mini-fragment binding | 分子名称: | Mitogen-activated protein kinase 1, SULFATE ION, pyridin-2-amine | 著者 | O'Reilly, M, Cleasby, A, Davies, T.G, Hall, R, Ludlow, F, Murray, C.W, Tisi, D, Jhoti, H. | 登録日 | 2018-12-18 | 公開日 | 2019-06-26 | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | 主引用文献 | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design. Drug Discov Today, 24, 2019
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