2E2B
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![BU of 2e2b by Molmil](/molmil-images/mine/2e2b) | Crystal structure of the c-Abl kinase domain in complex with INNO-406 | Descriptor: | N-[3-(4,5'-BIPYRIMIDIN-2-YLAMINO)-4-METHYLPHENYL]-4-{[(3S)-3-(DIMETHYLAMINO)PYRROLIDIN-1-YL]METHYL}-3-(TRIFLUOROMETHYL) BENZAMIDE, Proto-oncogene tyrosine-protein kinase ABL1 | Authors: | Horio, T, Hamasaki, T, Wakayama, T, Takagaki, K, Ohgi, T. | Deposit date: | 2006-11-10 | Release date: | 2007-05-22 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural factors contributing to the Abl/Lyn dual inhibitory activity of 3-substituted benzamide derivatives Bioorg.Med.Chem.Lett., 17, 2007
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7QG3
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![BU of 7qg3 by Molmil](/molmil-images/mine/7qg3) | IRAK4 in complex with inhibitor | Descriptor: | 6-[(2~{S})-2-fluoranylpropyl]-4-[(1-methylcyclopropyl)amino]-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrido[4,3-d]pyrimidin-5-one, Interleukin-1 receptor-associated kinase 4 | Authors: | Xue, Y, Aagaard, A, Robb, G.R, Degorce, S.L. | Deposit date: | 2021-12-07 | Release date: | 2022-05-04 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Identification and optimisation of a pyrimidopyridone series of IRAK4 inhibitors. Bioorg.Med.Chem., 63, 2022
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7QG1
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![BU of 7qg1 by Molmil](/molmil-images/mine/7qg1) | IRAK4 in complex with inhibitor | Descriptor: | Interleukin-1 receptor-associated kinase 4, methyl 4-[4-[[6-(cyanomethyl)-2-[(1-methylpyrazol-4-yl)amino]-5-oxidanylidene-pyrido[4,3-d]pyrimidin-4-yl]amino]cyclohexyl]piperazine-1-carboxylate | Authors: | Xue, Y, Aagaard, A, Robb, G.R, Degorce, S.L. | Deposit date: | 2021-12-07 | Release date: | 2022-05-04 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Identification and optimisation of a pyrimidopyridone series of IRAK4 inhibitors. Bioorg.Med.Chem., 63, 2022
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2BDJ
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![BU of 2bdj by Molmil](/molmil-images/mine/2bdj) | Src kinase in complex with inhibitor AP23464 | Descriptor: | 3-[2-(2-CYCLOPENTYL-6-{[4-(DIMETHYLPHOSPHORYL)PHENYL]AMINO}-9H-PURIN-9-YL)ETHYL]PHENOL, Proto-oncogene tyrosine-protein kinase Src | Authors: | Dalgarno, D, Stehle, T, Schelling, P, Narula, S, Sawyer, T. | Deposit date: | 2005-10-20 | Release date: | 2006-10-24 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural basis of Src tyrosine kinase inhibition with a new class of potent and selective trisubstituted purine-based compounds. Chem.Biol.Drug Des., 67, 2006
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7RUN
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![BU of 7run by Molmil](/molmil-images/mine/7run) | Crystal structure of phosphorylated RET tyrosine kinase domain complexed with a pyrrolo[2,3-d]pyrimidine inhibitor. | Descriptor: | 1-(4-{(1s,3s)-3-[4-amino-5-(3-amino-4-chlorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl]cyclobutyl}piperazin-1-yl)ethan-1-one, CHLORIDE ION, Proto-oncogene tyrosine-protein kinase receptor Ret | Authors: | Lee, C.C, Spraggon, G. | Deposit date: | 2021-08-17 | Release date: | 2022-01-19 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (3.51 Å) | Cite: | Antitarget Selectivity and Tolerability of Novel Pyrrolo[2,3- d ]pyrimidine RET Inhibitors. Acs Med.Chem.Lett., 12, 2021
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2B7A
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![BU of 2b7a by Molmil](/molmil-images/mine/2b7a) | The structural basis of Janus Kinase 2 inhibition by a potent and specific pan-Janus kinase inhibitor | Descriptor: | 2-TERT-BUTYL-9-FLUORO-3,6-DIHYDRO-7H-BENZ[H]-IMIDAZ[4,5-F]ISOQUINOLINE-7-ONE, Tyrosine-protein kinase JAK2 | Authors: | Lucet, I.S, Fantino, E, Styles, M, Bamert, R, Patel, O, Broughton, S.E, Walter, M, Burns, C.J, Treutlein, H, Wilks, A.F, Rossjohn, J. | Deposit date: | 2005-10-04 | Release date: | 2006-01-10 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The structural basis of Janus kinase 2 inhibition by a potent and specific pan-Janus kinase inhibitor. Blood, 107, 2006
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2EB3
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![BU of 2eb3 by Molmil](/molmil-images/mine/2eb3) | Crystal structure of mutated EGFR kinase domain (L858R) in complex with AMPPNP | Descriptor: | Epidermal growth factor receptor, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | Authors: | Yoshikawa, S, Kukimoto-Niino, M, Shirouzu, M, Senba, K, Yamamoto, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2007-02-06 | Release date: | 2008-02-12 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.84 Å) | Cite: | Structural basis for the altered drug sensitivities of non-small cell lung cancer-associated mutants of human epidermal growth factor receptor Oncogene, 2012
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2EVA
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![BU of 2eva by Molmil](/molmil-images/mine/2eva) | Structural Basis for the Interaction of TAK1 Kinase with its Activating Protein TAB1 | Descriptor: | ADENOSINE, TAK1 kinase - TAB1 chimera fusion protein | Authors: | Brown, K, Vial, S.C, Dedi, N, Long, J.M, Dunster, N.J, Cheetham, G.M. | Deposit date: | 2005-10-31 | Release date: | 2006-05-02 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural basis for the interaction of TAK1 kinase with its activating protein TAB1 J.Mol.Biol., 354, 2005
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2ETM
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![BU of 2etm by Molmil](/molmil-images/mine/2etm) | |
2FGI
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![BU of 2fgi by Molmil](/molmil-images/mine/2fgi) | CRYSTAL STRUCTURE OF THE TYROSINE KINASE DOMAIN OF FGF RECEPTOR 1 IN COMPLEX WITH INHIBITOR PD173074 | Descriptor: | 1-TERT-BUTYL-3-[6-(3,5-DIMETHOXY-PHENYL)-2-(4-DIETHYLAMINO-BUTYLAMINO)-PYRIDO[2,3-D]PYRIMIDIN-7-YL]-UREA, PROTEIN (FIBROBLAST GROWTH FACTOR (FGF) RECEPTOR 1) | Authors: | Mohammadi, M, Froum, S, Hamby, J.M, Schroeder, M, Panek, R.L, Lu, G.H, Eliseenkova, A.V, Green, D, Schlessinger, J, Hubbard, S.R. | Deposit date: | 1998-09-15 | Release date: | 1999-09-13 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of an angiogenesis inhibitor bound to the FGF receptor tyrosine kinase domain. EMBO J., 17, 1998
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2EB2
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![BU of 2eb2 by Molmil](/molmil-images/mine/2eb2) | Crystal structure of mutated EGFR kinase domain (G719S) | Descriptor: | Epidermal growth factor receptor | Authors: | Yoshikawa, S, Kukimoto-Niino, M, Chen, L, Liu, Z.J, Wang, B.C, Shirouzu, M, Senba, K, Yamamoto, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2007-02-06 | Release date: | 2008-02-12 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural basis for the altered drug sensitivities of non-small cell lung cancer-associated mutants of human epidermal growth factor receptor Oncogene, 2012
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2F4J
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![BU of 2f4j by Molmil](/molmil-images/mine/2f4j) | Structure of the Kinase Domain of an Imatinib-Resistant Abl Mutant in Complex with the Aurora Kinase Inhibitor VX-680 | Descriptor: | CYCLOPROPANECARBOXYLIC ACID {4-[4-(4-METHYL-PIPERAZIN-1-YL)-6-(5-METHYL-2H-PYRAZOL-3-YLAMINO)-PYRIMIDIN-2-YLSULFANYL]-PHENYL}-AMIDE, Proto-oncogene tyrosine-protein kinase ABL1 | Authors: | Young, M.A, Shah, N.P, Chao, L.H, Zarrinkar, P, Sawyers, P, Kuriyan, J. | Deposit date: | 2005-11-23 | Release date: | 2006-01-24 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Structure of the kinase domain of an imatinib-resistant Abl mutant in complex with the Aurora kinase inhibitor VX-680. Cancer Res., 66, 2006
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2FB8
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![BU of 2fb8 by Molmil](/molmil-images/mine/2fb8) | Structure of the B-Raf kinase domain bound to SB-590885 | Descriptor: | (1Z)-5-(2-{4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL}-5-PYRIDIN-4-YL-1H-IMIDAZOL-4-YL)INDAN-1-ONE OXIME, B-Raf proto-oncogene serine/threonine-protein kinase | Authors: | Lougheed, J.C, Lee, J, Chau, D.C, Stout, T.J. | Deposit date: | 2005-12-08 | Release date: | 2006-12-12 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Demonstration of a genetic therapeutic index for tumors expressing oncogenic BRAF by the kinase inhibitor SB-590885. Cancer Res., 66, 2006
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2QLQ
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![BU of 2qlq by Molmil](/molmil-images/mine/2qlq) | Crystal structure of SRC kinase domain with covalent inhibitor RL3 | Descriptor: | (2E)-N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-4-(dimethylamino)but-2-enamide, Proto-oncogene tyrosine-protein kinase Src | Authors: | Michalczyk, A, Rode, H.B, Gruetter, C, Rauh, D. | Deposit date: | 2007-07-13 | Release date: | 2008-03-11 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Structural insights into how irreversible inhibitors can overcome drug resistance in EGFR. Bioorg.Med.Chem., 16, 2008
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2QOH
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![BU of 2qoh by Molmil](/molmil-images/mine/2qoh) | Crystal Structure of Abl kinase bound with PPY-A | Descriptor: | 5-[3-(2-METHOXYPHENYL)-1H-PYRROLO[2,3-B]PYRIDIN-5-YL]-N,N-DIMETHYLPYRIDINE-3-CARBOXAMIDE, Proto-oncogene tyrosine-protein kinase ABL1 | Authors: | Zhou, T, Dalgarno, D, Zhu, X. | Deposit date: | 2007-07-20 | Release date: | 2007-09-18 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Crystal Structure of the T315I Mutant of Abl Kinase Chem.Biol.Drug Des., 70, 2007
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2QU6
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![BU of 2qu6 by Molmil](/molmil-images/mine/2qu6) | Crystal structure of the VEGFR2 kinase domain in complex with a benzoxazole inhibitor | Descriptor: | 4-({2-[(4-chloro-3-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}phenyl)amino]-1,3-benzoxazol-5-yl}oxy)-N-methylpyridine-2-carboxamide, SULFATE ION, Vascular endothelial growth factor receptor 2 | Authors: | Whittington, D.A, Kim, J.L, Long, A.M, Rose, P, Gu, Y, Zhao, H. | Deposit date: | 2007-08-03 | Release date: | 2007-09-25 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Design, Synthesis, and Evaluation of Orally Active Benzimidazoles and Benzoxazoles as Vascular Endothelial Growth Factor-2 Receptor Tyrosine Kinase Inhibitors. J.Med.Chem., 50, 2007
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2QI8
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![BU of 2qi8 by Molmil](/molmil-images/mine/2qi8) | Crystal structure of drug resistant SRC kinase domain | Descriptor: | GLYCEROL, Proto-oncogene tyrosine-protein kinase Src | Authors: | Michalczyk, A, Rode, H.B, Gruetter, C, Rauh, D. | Deposit date: | 2007-07-03 | Release date: | 2008-03-18 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Structural insights into how irreversible inhibitors can overcome drug resistance in EGFR. Bioorg.Med.Chem., 16, 2008
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2QU5
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![BU of 2qu5 by Molmil](/molmil-images/mine/2qu5) | Crystal structure of the VEGFR2 kinase domain in complex with a benzimidazole inhibitor | Descriptor: | 4-[[2-[[4-chloro-3-(trifluoromethyl)phenyl]amino]-3H-benzimidazol-5-yl]oxy]-N-methyl-pyridine-2-carboxamide, Vascular endothelial growth factor receptor 2 | Authors: | Whittington, D.A, Kim, J.L, Long, A.M, Rose, P, Gu, Y, Zhao, H. | Deposit date: | 2007-08-03 | Release date: | 2007-09-25 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Design, Synthesis, and Evaluation of Orally Active Benzimidazoles and Benzoxazoles as Vascular Endothelial Growth Factor-2 Receptor Tyrosine Kinase Inhibitors. J.Med.Chem., 50, 2007
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2QQ7
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![BU of 2qq7 by Molmil](/molmil-images/mine/2qq7) | Crystal structure of drug resistant SRC kinase domain with irreversible inhibitor | Descriptor: | (2E)-N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-4-(dimethylamino)but-2-enamide, Proto-oncogene tyrosine-protein kinase Src | Authors: | Michalczyk, A, Rode, H.B, Gruetter, C, Rauh, D. | Deposit date: | 2007-07-26 | Release date: | 2008-03-11 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Structural insights into how irreversible inhibitors can overcome drug resistance in EGFR. Bioorg.Med.Chem., 16, 2008
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2R4B
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![BU of 2r4b by Molmil](/molmil-images/mine/2r4b) | ErbB4 kinase domain complexed with a thienopyrimidine inhibitor | Descriptor: | N-{3-chloro-4-[(3-fluorobenzyl)oxy]phenyl}-6-ethylthieno[3,2-d]pyrimidin-4-amine, Receptor tyrosine-protein kinase erbB-4 | Authors: | Shewchuk, L.M, Uehling, D.E. | Deposit date: | 2007-08-31 | Release date: | 2008-03-18 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | 6-Ethynylthieno[3,2-d]- and 6-ethynylthieno[2,3-d]pyrimidin-4-anilines as tunable covalent modifiers of ErbB kinases. Proc.Natl.Acad.Sci.Usa, 105, 2008
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6XR6
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![BU of 6xr6 by Molmil](/molmil-images/mine/6xr6) | |
6X8F
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![BU of 6x8f by Molmil](/molmil-images/mine/6x8f) | Crystal structure of TYK2 with Compound 11 | Descriptor: | Non-receptor tyrosine-protein kinase TYK2, [3-{4-[6-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-1H-pyrazol-1-yl}-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile | Authors: | Vajdos, F.F, Knafels, J.D. | Deposit date: | 2020-06-01 | Release date: | 2020-11-25 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Discovery of Tyrosine Kinase 2 (TYK2) Inhibitor (PF-06826647) for the Treatment of Autoimmune Diseases. J.Med.Chem., 63, 2020
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6XJK
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![BU of 6xjk by Molmil](/molmil-images/mine/6xjk) | JAK2 JH2 in complex with JAK067 | Descriptor: | 4-({4-amino-6-[(1H-indol-5-yl)oxy]-1,3,5-triazin-2-yl}amino)benzene-1-sulfonamide, Tyrosine-protein kinase JAK2 | Authors: | Puleo, D.E, Krimmer, S.G, Newton, A.S, Schlessinger, J, Jorgensen, W.L. | Deposit date: | 2020-06-24 | Release date: | 2020-11-25 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.023508 Å) | Cite: | Explicit Representation of Cation-pi Interactions in Force Fields with 1/r4 Nonbonded Terms. J Chem Theory Comput, 16, 2020
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6XVJ
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![BU of 6xvj by Molmil](/molmil-images/mine/6xvj) | Crystal structure of the KDR (VEGFR2) kinase domain in complex with a type-II inhibitor | Descriptor: | Vascular endothelial growth factor receptor 2, ~{N}-[3-[(dimethylamino)methyl]-5-methyl-phenyl]-2-[3-methoxy-5-(7-methoxyquinolin-4-yl)oxy-pyridin-2-yl]ethanamide | Authors: | Schimpl, M, McAuley, K, Hoyt, E.A, Thomas, M, Bodnarchuk, M.S, Lewis, H.J, Barratt, D, Deery, M.J, Ogg, D.J, Bernardes, G.J.L, Ward, R.A, Kettle, J.G, Waring, M.J. | Deposit date: | 2020-01-22 | Release date: | 2020-05-27 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Alkynyl Benzoxazines and Dihydroquinazolines as Cysteine Targeting Covalent Warheads and Their Application in Identification of Selective Irreversible Kinase Inhibitors. J.Am.Chem.Soc., 142, 2020
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6XFP
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![BU of 6xfp by Molmil](/molmil-images/mine/6xfp) | Crystal Structure of BRAF kinase domain bound to Belvarafenib | Descriptor: | 4-amino-N-{1-[(3-chloro-2-fluorophenyl)amino]-6-methylisoquinolin-5-yl}thieno[3,2-d]pyrimidine-7-carboxamide, CHLORIDE ION, Serine/threonine-protein kinase B-raf | Authors: | Yin, J, Sudhamsu, J. | Deposit date: | 2020-06-16 | Release date: | 2021-03-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | ARAF mutations confer resistance to the RAF inhibitor belvarafenib in melanoma. Nature, 594, 2021
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