7F2X
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![BU of 7f2x by Molmil](/molmil-images/mine/7f2x) | Crystal structure of MEK1 C121S mutant | 分子名称: | MEK1 F11, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | 著者 | Fujioka, Y, Noda, N.N. | 登録日 | 2021-06-15 | 公開日 | 2022-06-22 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.007 Å) | 主引用文献 | Qualitative differences in disease-associated MEK mutants reveal molecular signatures and aberrant signaling-crosstalk in cancer. Nat Commun, 13, 2022
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3WIG
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![BU of 3wig by Molmil](/molmil-images/mine/3wig) | Human MEK1 kinase in complex with CH5126766 and MgAMP-PNP | 分子名称: | CHLORIDE ION, Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, ... | 著者 | Lukacs, C.M, Janson, C, Schuck, V. | 登録日 | 2013-09-12 | 公開日 | 2014-06-04 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Disruption of CRAF-Mediated MEK Activation Is Required for Effective MEK Inhibition in KRAS Mutant Tumors Cancer Cell, 25, 2014
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3ORN
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![BU of 3orn by Molmil](/molmil-images/mine/3orn) | Mitogen-activated protein kinase kinase 1 (MEK1) in complex with CH4987655 and MgAMP-PNP | 分子名称: | 3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)-5-[(3-oxo-1,2-oxazinan-2-yl)methyl]benzamide, Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, ... | 著者 | Lukacs, C.M, Janson, C, Schuck, V, Belunis, C. | 登録日 | 2010-09-07 | 公開日 | 2011-03-02 | 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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3OS3
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![BU of 3os3 by Molmil](/molmil-images/mine/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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3SLS
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![BU of 3sls by Molmil](/molmil-images/mine/3sls) | Crystal Structure of human MEK-1 kinase in complex with UCB1353770 and AMPPNP | 分子名称: | 2-[(2-fluoro-4-iodophenyl)amino]-5,5-dimethyl-8-oxo-N-[(3R)-piperidin-3-yl]-5,6,7,8-tetrahydro-4H-thieno[2,3-c]azepine-3-carboxamide, Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, ... | 著者 | Meier, C, Ceska, T.A. | 登録日 | 2011-06-25 | 公開日 | 2012-02-29 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Engineering human MEK-1 for structural studies: A case study of combinatorial domain hunting. J.Struct.Biol., 177, 2012
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4AN2
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![BU of 4an2 by Molmil](/molmil-images/mine/4an2) | 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 | 2012-03-14 | 公開日 | 2012-12-19 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.5 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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4ANB
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![BU of 4anb by Molmil](/molmil-images/mine/4anb) | 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 (2.2 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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4AN9
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![BU of 4an9 by Molmil](/molmil-images/mine/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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4AN3
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![BU of 4an3 by Molmil](/molmil-images/mine/4an3) | Crystal structures of human MEK1 with carboxamide-based allosteric inhibitor XL518 (GDC-0973), or related analogs. | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, DUAL SPECIFICITY MITOGEN-ACTIVATED PROTEIN KINASE KINASE 1, MAGNESIUM ION, ... | 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 | 2012-03-15 | 公開日 | 2012-12-19 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.1 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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4MNE
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![BU of 4mne by Molmil](/molmil-images/mine/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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1S9J
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![BU of 1s9j by Molmil](/molmil-images/mine/1s9j) | X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) in a complex with ligand and MgATP | 分子名称: | 5-BROMO-N-(2,3-DIHYDROXYPROPOXY)-3,4-DIFLUORO-2-[(2-FLUORO-4-IODOPHENYL)AMINO]BENZAMIDE, ADENOSINE-5'-TRIPHOSPHATE, Dual specificity mitogen-activated protein kinase kinase 1, ... | 著者 | Ohren, J.F, Chen, H, Pavlovsky, A, Whitehead, C, Yan, C, McConnell, P, Delaney, A, Dudley, D.T, Sebolt-Leopold, J, Hasemann, C.A. | 登録日 | 2004-02-04 | 公開日 | 2004-11-23 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Structures of human MAP kinase kinase 1 (MEK1) and MEK2 describe novel noncompetitive kinase inhibition. Nat.Struct.Mol.Biol., 11, 2004
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5YT3
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![BU of 5yt3 by Molmil](/molmil-images/mine/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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6NYB
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![BU of 6nyb by Molmil](/molmil-images/mine/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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2P55
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![BU of 2p55 by Molmil](/molmil-images/mine/2p55) | |
7UMB
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![BU of 7umb by Molmil](/molmil-images/mine/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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5HZE
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![BU of 5hze by Molmil](/molmil-images/mine/5hze) | Mek1 adopts DFG-out conformation when bound to an analog of E6201. | 分子名称: | (3S,4R,8S,9S,11E)-8,9,16-trihydroxy-3,4-dimethyl-14-(methylamino)-3,4,5,6,9,10-hexahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione, Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION | 著者 | Larsen, N.A, Bloudoff, K. | 登録日 | 2016-02-02 | 公開日 | 2017-05-03 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Mek1 adopts DFG-out conformation when bound to an analog of E6201. To Be Published
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7PQV
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![BU of 7pqv by Molmil](/molmil-images/mine/7pqv) | MEK1 IN COMPLEX WITH COMPOUND 7 | 分子名称: | 8-(2-chloranyl-4-methoxy-phenyl)-7-fluoranyl-1-piperidin-4-yl-imidazo[4,5-c]quinoline, CALCIUM ION, Dual specificity mitogen-activated protein kinase kinase 1, ... | 著者 | Moebitz, H. | 登録日 | 2021-09-20 | 公開日 | 2022-03-16 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (2.13 Å) | 主引用文献 | Discovery of MAP855, an Efficacious and Selective MEK1/2 Inhibitor with an ATP-Competitive Mode of Action. J.Med.Chem., 65, 2022
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6Q0T
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![BU of 6q0t by Molmil](/molmil-images/mine/6q0t) | 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, Dual specificity mitogen-activated protein kinase kinase 1, ... | 著者 | Park, E, Rawson, S, Jeon, H, Eck, M.J. | 登録日 | 2019-08-02 | 公開日 | 2019-10-09 | 最終更新日 | 2020-04-22 | 実験手法 | ELECTRON MICROSCOPY (5.7 Å) | 主引用文献 | Architecture of autoinhibited and active BRAF-MEK1-14-3-3 complexes. Nature, 575, 2019
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8CHF
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![BU of 8chf by Molmil](/molmil-images/mine/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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5EYM
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![BU of 5eym by Molmil](/molmil-images/mine/5eym) | MEK1 IN COMPLEX WITH BI 847325 | 分子名称: | 3-[(3~{Z})-3-[[[4-[(dimethylamino)methyl]phenyl]amino]-phenyl-methylidene]-2-oxidanylidene-1~{H}-indol-6-yl]-~{N}-ethyl-prop-2-ynamide, CALCIUM ION, Dual specificity mitogen-activated protein kinase kinase 1 | 著者 | Bader, G, Reiser, U, Zahn, S.K, Treu, M. | 登録日 | 2015-11-25 | 公開日 | 2016-08-17 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Pharmacological Profile of BI 847325, an Orally Bioavailable, ATP-Competitive Inhibitor of MEK and Aurora Kinases. Mol.Cancer Ther., 15, 2016
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3MBL
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![BU of 3mbl by Molmil](/molmil-images/mine/3mbl) | |
4LMN
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![BU of 4lmn by Molmil](/molmil-images/mine/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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5BX0
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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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6Q0J
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![BU of 6q0j by Molmil](/molmil-images/mine/6q0j) | 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, Dual specificity mitogen-activated protein kinase kinase 1, ... | 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 (4.9 Å) | 主引用文献 | Architecture of autoinhibited and active BRAF-MEK1-14-3-3 complexes. Nature, 575, 2019
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