2026-03-28_00000153|ligand|9U91

Complex of compound 31r and EGFR Del19/T790M/C797S/V948R; X-ray diffraction 3.20Å
Protein #1 344 residues (78% resolved)

GRKRTLRRLLQERELVEPLTPSGEAPNQALLRILKETEFKKIKVLGSGAFGTVYKGLWIPEGEKVKIPVAIKTSPKANKEILDEAYVMASVDNPHVCRLLGICLTSTVQLIMQLMPFGSLLDYVREHKDNIGSQYLLNWCVQIAKGMNYLEDRRLVHRDLAARNVLVKTPQHVKITDFGLAKLLGAEEKEYHAEGGKVPIKWMALESILHRIYTHQSDVWSYGVTVWELMTFGSKPYDGIPASEISSILEKGERLPQPPICTIDVYMIMRKCWMIDADSRPKFRELIIEFSKMARDPQRYLVIQGDERMHLPSPTDSNFYRALMDEEDMDDVVDADEYLIPQQG

GRKRTLRRLLQERELVEPLTPSGEAPNQALLRILKETEFKKIKVLGSGAFGTVYKGLWIPEGEKVKIPVAIKTSPKANKEILDEAYVMASVDNPHVCRLLGICLTSTVQLIMQLMPFGSLLDYVREHKDNIGSQYLLNWCVQIAKGMNYLEDRRLVHRDLAARNVLVKTPQHVKITDFGLAKLLGAEEKEYHAEGGKVPIKWMALESILHRIYTHQSDVWSYGVTVWELMTFGSKPYDGIPASEISSILEKGERLPQPPICTIDVYMIMRKCWMIDADSRPKFRELIIEFSKMARDPQRYLVIQGDERMHLPSPTDSNFYRALMDEEDMDDVVDADEYLIPQQG
Non polymer #2 A1EOG

InChI=1S/C35H45N11O3S/c1-6-23-21-28(30(49-4)22-29(23)46-15-10-24(11-16-46)45-19-17-43(2)18-20-45)40-35-41-33-25(9-12-38-33)34(42-35)39-27-8-7-26-31(37-14-13-36-26)32(27)44(3)50(5,47)48/h7-9,12-14,21-22,24H,6,10-11,15-20H2,1-5H3,(H3,38,39,40,41,42)

CCc1cc(c(cc1N2CCC(CC2)N3CCN(CC3)C)OC)Nc4nc5c(cc[nH]5)c(n4)Nc6ccc7c(c6N(C)S(=O)(=O)C)nccn7
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Reference