3OS3
 
 | | Mitogen-activated protein kinase kinase 1 (MEK1) in complex with CH4858061 and MgATP | | 分子名称: | 2-[(4-ethynyl-2-fluorophenyl)amino]-3,4-difluoro-N-(2-hydroxyethoxy)-5-{[(2-hydroxyethoxy)imino]methyl}benzamide, ADENOSINE-5'-TRIPHOSPHATE, Dual specificity mitogen-activated protein kinase kinase 1, ... | | 著者 | Lukacs, C.M, Janson, C, Schuck, V, Belunis, C. | | 登録日 | 2010-09-08 | | 公開日 | 2011-07-27 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Design and synthesis of novel allosteric MEK inhibitor CH4987655 as an orally available anticancer agent.
Bioorg.Med.Chem.Lett., 21, 2011
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2P55
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4LMN
 | | Crystal Structure of MEK1 kinase bound to GDC0973 | | 分子名称: | Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | | 著者 | Ultsch, M.H. | | 登録日 | 2013-07-10 | | 公開日 | 2013-08-07 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Mechanism of MEK inhibition determines efficacy in mutant KRAS- versus BRAF-driven cancers.
Nature, 501, 2013
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4AN9
 | | Crystal structures of human MEK1 with carboxamide-based allosteric inhibitor XL518 (GDC-0973), or related analogs. | | 分子名称: | DUAL SPECIFICITY MITOGEN-ACTIVATED PROTEIN KINASE KINASE 1, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ... | | 著者 | Rice, K.D, Aay, N, Anand, N.K, Blazey, C.M, Bowles, O.J, Bussenius, J, Costanzo, S, Curtis, J.K, Defina, S.C, Dubenko, L, Engst, S, Joshi, A.A, Kennedy, A.R, Kim, A.I, Koltun, E.S, Lougheed, J.C, Manalo, J.C.L, Martini, J.F, Nuss, J.M, Peto, C.J, Tsang, T.H, Yu, P, Johnston, S. | | 登録日 | 2012-03-16 | | 公開日 | 2012-12-19 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Novel Carboxamide-Based Allosteric Mek Inhibitors: Discovery and Optimization Efforts Toward Xl518 (Gdc-0973)
Acs Med.Chem.Lett., 3, 2012
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4U7Z
 | | Mitogen-Activated Protein Kinase Kinase (MEK1) bound to G805 | | 分子名称: | 5-[(4-bromo-2-chlorophenyl)amino]-4-fluoro-N-(2-hydroxyethoxy)-1-methyl-1H-benzimidazole-6-carboxamide, Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, ... | | 著者 | Robarge, K.D, Ultsch, M.H, Wiesmann, C. | | 登録日 | 2014-07-31 | | 公開日 | 2014-09-24 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.805 Å) | | 主引用文献 | Structure based design of novel 6,5 heterobicyclic mitogen-activated protein kinase kinase (MEK) inhibitors leading to the discovery of imidazo[1,5-a] pyrazine G-479.
Bioorg.Med.Chem.Lett., 24, 2014
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9AXH
 | | Crystal structure of KSR1/MEK1 complex heterotetramer with NST-628 | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, Dual specificity mitogen-activated protein kinase kinase 1, ... | | 著者 | Quade, B, Huang, X. | | 登録日 | 2024-03-06 | | 公開日 | 2024-04-17 | | 最終更新日 | 2024-07-10 | | 実験手法 | X-RAY DIFFRACTION (2.81 Å) | | 主引用文献 | The Pan-RAF-MEK Nondegrading Molecular Glue NST-628 Is a Potent and Brain-Penetrant Inhibitor of the RAS-MAPK Pathway with Activity across Diverse RAS- and RAF-Driven Cancers.
Cancer Discov, 14, 2024
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4MNE
 | | Crystal structure of the BRAF:MEK1 complex | | 分子名称: | 7-fluoro-3-[(2-fluoro-4-iodophenyl)amino]-N-{[(2S)-2-hydroxypropyl]oxy}furo[3,2-c]pyridine-2-carboxamide, CHLORIDE ION, Dual specificity mitogen-activated protein kinase kinase 1, ... | | 著者 | Sudhamsu, J, Haling, J.R, Morales, T, Brandhuber, B, Hymowitz, S.G. | | 登録日 | 2013-09-10 | | 公開日 | 2014-06-18 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.8483 Å) | | 主引用文献 | Structure of the BRAF-MEK Complex Reveals a Kinase Activity Independent Role for BRAF in MAPK Signaling.
Cancer Cell, 26, 2014
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6U2G
 | | BRAF-MEK complex with AMP-PCP bound to BRAF | | 分子名称: | Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ... | | 著者 | Liau, N.P.D, Wendorff, T, Hymowitz, S, Sudhamsu, J. | | 登録日 | 2019-08-19 | | 公開日 | 2019-08-28 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.886 Å) | | 主引用文献 | Negative regulation of RAF kinase activity by ATP is overcome by 14-3-3-induced dimerization.
Nat.Struct.Mol.Biol., 27, 2020
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5YT3
 | | Structure of the Human Mitogen-Activated Protein Kinase Kinase 1 S218D and S222D mutant | | 分子名称: | MAGNESIUM ION, Mitogen-activated protein kinase kinase 1, isoform CRA_d, ... | | 著者 | Nakae, S, Doko, K, Tada, T, Shirai, T. | | 登録日 | 2017-11-16 | | 公開日 | 2018-11-21 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Structure of the Human Mitogen-Activated Protein Kinase Kinase 1 S218D and S222D mutant
To Be Published
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5BX0
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7M0W
 | | Crystal structure of the BRAF:MEK1 kinases in complex with AMPPNP and Pimasertib | | 分子名称: | Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, N-[(2S)-2,3-dihydroxypropyl]-3-[(2-fluoro-4-iodophenyl)amino]pyridine-4-carboxamide, ... | | 著者 | Li, K, Gonzalez Del-Pino, G, Ha, B.H, Park, E, Eck, M.J. | | 登録日 | 2021-03-11 | | 公開日 | 2021-04-21 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (3.09 Å) | | 主引用文献 | Allosteric MEK inhibitors act on BRAF/MEK complexes to block MEK activation.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7M0U
 | | Crystal structure of the BRAF:MEK1 kinases in complex with AMPPNP and Binimetinib | | 分子名称: | 5-[(4-bromo-2-fluorophenyl)amino]-4-fluoro-N-(2-hydroxyethoxy)-1-methyl-1H-benzimidazole-6-carboxamide, Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, ... | | 著者 | Li, K, Gonzalez Del-Pino, G, Ha, B.H, Park, E, Eck, M.J. | | 登録日 | 2021-03-11 | | 公開日 | 2021-04-21 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (3.09 Å) | | 主引用文献 | Allosteric MEK inhibitors act on BRAF/MEK complexes to block MEK activation.
Proc.Natl.Acad.Sci.USA, 118, 2021
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6V2W
 | | Crystal structure of the BRAF:MEK1 kinases in complex with AMPPNP | | 分子名称: | Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | | 著者 | Li, K, Gonzalez Del-Pino, G, Park, E, Eck, M.J. | | 登録日 | 2019-11-25 | | 公開日 | 2020-12-02 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (3.12 Å) | | 主引用文献 | Allosteric MEK inhibitors act on BRAF/MEK complexes to block MEK activation.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7M0Z
 | | Crystal structure of the BRAF:MEK1 kinases in complex with AMPPNP and CH5126766 | | 分子名称: | Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, N-(3-fluoro-4-{[4-methyl-2-oxo-7-(pyrimidin-2-yloxy)-2H-chromen-3-yl]methyl}pyridin-2-yl)-N'-methylsulfuric diamide, ... | | 著者 | Li, K, Gonzalez Del-Pino, G, Ha, B.H, Park, E, Eck, M.J. | | 登録日 | 2021-03-11 | | 公開日 | 2021-04-21 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (3.12 Å) | | 主引用文献 | Allosteric MEK inhibitors act on BRAF/MEK complexes to block MEK activation.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7M0V
 | | Crystal structure of the BRAF:MEK1 kinases in complex with AMPPNP and Cobimetinib | | 分子名称: | Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | | 著者 | Li, K, Gonzalez Del-Pino, G, Ha, B.H, Park, E, Eck, M.J. | | 登録日 | 2021-03-11 | | 公開日 | 2021-04-21 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (3.16 Å) | | 主引用文献 | Allosteric MEK inhibitors act on BRAF/MEK complexes to block MEK activation.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7M0T
 | | Crystal structure of the BRAF:MEK1 kinases in complex with AMPPNP and Selumetinib | | 分子名称: | 5-[(4-bromo-2-chlorophenyl)amino]-4-fluoro-N-(2-hydroxyethoxy)-1-methyl-1H-benzimidazole-6-carboxamide, Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, ... | | 著者 | Li, K, Gonzalez Del-Pino, G, Ha, B.H, Park, E, Eck, M.J. | | 登録日 | 2021-03-11 | | 公開日 | 2021-04-21 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (3.19 Å) | | 主引用文献 | Allosteric MEK inhibitors act on BRAF/MEK complexes to block MEK activation.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7UMB
 | | NanoBRET tracer Tram-bo bound to a KSR2-MEK1 complex | | 分子名称: | Dual specificity mitogen-activated protein kinase kinase 1, Kinase suppressor of Ras 2, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | | 著者 | Marsiglia, W.M, Khan, K.M, Dar, A.C. | | 登録日 | 2022-04-06 | | 公開日 | 2023-09-27 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (3.231 Å) | | 主引用文献 | Live-cell target engagement of allosteric MEKi on MEK-RAF/KSR-14-3-3 complexes.
Nat.Chem.Biol., 20, 2024
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7M0Y
 | | Crystal structure of the BRAF:MEK1 kinases in complex with AMPPNP and Trametinib | | 分子名称: | Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | | 著者 | Li, K, Gonzalez Del-Pino, G, Ha, B.H, Park, E, Eck, M.J. | | 登録日 | 2021-03-11 | | 公開日 | 2021-04-21 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (3.45 Å) | | 主引用文献 | Allosteric MEK inhibitors act on BRAF/MEK complexes to block MEK activation.
Proc.Natl.Acad.Sci.USA, 118, 2021
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9AXY
 | | Crystal structure of BRAF/MEK complex with NST-628 and inactive RAF | | 分子名称: | Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, N-[3-fluoro-4-({7-[(3-fluoropyridin-2-yl)oxy]-4-methyl-2-oxo-2H-1-benzopyran-3-yl}methyl)pyridin-2-yl]-N'-methylsulfuric diamide, ... | | 著者 | Quade, B, Huang, X. | | 登録日 | 2024-03-06 | | 公開日 | 2024-04-17 | | 最終更新日 | 2024-07-10 | | 実験手法 | X-RAY DIFFRACTION (3.6 Å) | | 主引用文献 | The Pan-RAF-MEK Nondegrading Molecular Glue NST-628 Is a Potent and Brain-Penetrant Inhibitor of the RAS-MAPK Pathway with Activity across Diverse RAS- and RAF-Driven Cancers.
Cancer Discov, 14, 2024
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7MFD
 | | Autoinhibited BRAF:(14-3-3)2:MEK complex with the BRAF RBD resolved | | 分子名称: | 14-3-3 protein zeta/delta, Dual specificity mitogen-activated protein kinase kinase 1, N-(3-fluoro-4-{[4-methyl-2-oxo-7-(pyrimidin-2-yloxy)-2H-chromen-3-yl]methyl}pyridin-2-yl)-N'-methylsulfuric diamide, ... | | 著者 | Martinez Fiesco, J.A, Ping, Z, Durrant, D.E, Morrison, D.K. | | 登録日 | 2021-04-09 | | 公開日 | 2022-01-26 | | 最終更新日 | 2022-02-09 | | 実験手法 | ELECTRON MICROSCOPY (3.66 Å) | | 主引用文献 | Structural insights into the BRAF monomer-to-dimer transition mediated by RAS binding.
Nat Commun, 13, 2022
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8DGT
 | | Cryo-EM structure of a RAS/RAF complex (state 2) | | 分子名称: | 14-3-3 protein zeta, 5-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-6-carboxamide, Dual specificity mitogen-activated protein kinase kinase 1, ... | | 著者 | Eck, M.J, Jeon, H, Park, E, Rawson, S. | | 登録日 | 2022-06-24 | | 公開日 | 2023-07-05 | | 最終更新日 | 2023-08-09 | | 実験手法 | ELECTRON MICROSCOPY (3.9 Å) | | 主引用文献 | Cryo-EM structure of a RAS/RAF recruitment complex.
Nat Commun, 14, 2023
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6NYB
 | | Structure of a MAPK pathway complex | | 分子名称: | 14-3-3 protein zeta, 5-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-6-carboxamide, ADENOSINE-5'-DIPHOSPHATE, ... | | 著者 | Park, E, Rawson, S, Li, K, Jeon, H, Eck, M.J. | | 登録日 | 2019-02-11 | | 公開日 | 2019-10-09 | | 最終更新日 | 2020-04-22 | | 実験手法 | ELECTRON MICROSCOPY (4.1 Å) | | 主引用文献 | Architecture of autoinhibited and active BRAF-MEK1-14-3-3 complexes.
Nature, 575, 2019
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9AXC
 | | Activated CRAF/MEK heterotetramer from focused refinement of CRAF/MEK/14-3-3 complex | | 分子名称: | Dual specificity mitogen-activated protein kinase kinase 1, GST26/CRAF chimera, N-[3-fluoro-4-({7-[(3-fluoropyridin-2-yl)oxy]-4-methyl-2-oxo-2H-1-benzopyran-3-yl}methyl)pyridin-2-yl]-N'-methylsulfuric diamide | | 著者 | Quade, B, Cohen, S.E, Huang, X. | | 登録日 | 2024-03-06 | | 公開日 | 2024-04-17 | | 最終更新日 | 2024-07-10 | | 実験手法 | ELECTRON MICROSCOPY (4.16 Å) | | 主引用文献 | The Pan-RAF-MEK Nondegrading Molecular Glue NST-628 Is a Potent and Brain-Penetrant Inhibitor of the RAS-MAPK Pathway with Activity across Diverse RAS- and RAF-Driven Cancers.
Cancer Discov, 14, 2024
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8CHF
 | | cryo-EM Structure of Craf:14-3-3:Mek1 | | 分子名称: | 14-3-3 protein zeta isoform X1, 2-{4-[(1E)-1-(hydroxyimino)-2,3-dihydro-1H-inden-5-yl]-3-(pyridin-4-yl)-1H-pyrazol-1-yl}ethanol, Dual specificity mitogen-activated protein kinase kinase 1, ... | | 著者 | Dedden, D, Ulrich, G. | | 登録日 | 2023-02-07 | | 公開日 | 2024-02-21 | | 最終更新日 | 2024-02-28 | | 実験手法 | ELECTRON MICROSCOPY (4.25 Å) | | 主引用文献 | Cryo-EM Structures of CRAF 2 /14-3-3 2 and CRAF 2 /14-3-3 2 /MEK1 2 Complexes.
J.Mol.Biol., 436, 2024
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8DGS
 | | Cryo-EM structure of a RAS/RAF complex (state 1) | | 分子名称: | 14-3-3 protein zeta, 5-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-6-carboxamide, Dual specificity mitogen-activated protein kinase kinase 1, ... | | 著者 | Eck, M.J, Jeon, H, Park, E, Rawson, S. | | 登録日 | 2022-06-24 | | 公開日 | 2023-07-05 | | 最終更新日 | 2023-08-09 | | 実験手法 | ELECTRON MICROSCOPY (4.3 Å) | | 主引用文献 | Cryo-EM structure of a RAS/RAF recruitment complex.
Nat Commun, 14, 2023
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