2025-12-20_00000346|ligand|9XU9

Crystal structure of EGFR T790M/C797S/L858R mutant in complex with (2-((5-chloro-2-((2-methoxy-4-(4-methylpiperazin-1-yl)-5-nitrophenyl)amino)pyrimidin-4-yl)amino)phenyl)dimethylphosphine oxide; X-ray diffraction 2.84Å
Protein #1 331 residues (94% resolved)

GSPSGEAPNQALLRILKETEFKKIKVLGSGAFGTVYKGLWIPEGEKVKIPVAIKELREATSPKANKEILDEAYVMASVDNPHVCRLLGICLTSTVQLIMQLMPFGSLLDYVREHKDNIGSQYLLNWCVQIAKGMNYLEDRRLVHRDLAARNVLVKTPQHVKITDFGRAKLLGAEEKEYHAEGGKVPIKWMALESILHRIYTHQSDVWSYGVTVWELMTFGSKPYDGIPASEISSILEKGERLPQPPICTIDVYMIMVKCWMIDADSRPKFRELIIEFSKMARDPQRYLVIQGDERMHLPSPTDSNFYRALMDEEDMDDVVDADEYLIPQQG

GSPSGEAPNQALLRILKETEFKKIKVLGSGAFGTVYKGLWIPEGEKVKIPVAIKELREATSPKANKEILDEAYVMASVDNPHVCRLLGICLTSTVQLIMQLMPFGSLLDYVREHKDNIGSQYLLNWCVQIAKGMNYLEDRRLVHRDLAARNVLVKTPQHVKITDFGRAKLLGAEEKEYHAEGGKVPIKWMALESILHRIYTHQSDVWSYGVTVWELMTFGSKPYDGIPASEISSILEKGERLPQPPICTIDVYMIMVKCWMIDADSRPKFRELIIEFSKMARDPQRYLVIQGDERMHLPSPTDSNFYRALMDEEDMDDVVDADEYLIPQQG
Non polymer #2 A1E1C

InChI=1S/C24H29ClN7O4P/c1-30-9-11-31(12-10-30)19-14-21(36-2)18(13-20(19)32(33)34)28-24-26-15-16(25)23(29-24)27-17-7-5-6-8-22(17)37(3,4)35/h5-8,13-15H,9-12H2,1-4H3,(H2,26,27,28,29)

CN1CCN(CC1)c2cc(c(cc2[N+](=O)[O-])Nc3ncc(c(n3)Nc4ccccc4P(=O)(C)C)Cl)OC
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Reference