2026-05-23_00000321|ligand|9VV1

Crystal structure of EGFR kinase (C797S) in complex with LN-B72; X-ray diffraction 2.95Å
Protein #1 331 residues (96% resolved)

QGPSGEAPNQALLRILKETEFKKIKVLGSGAFGTVYKGLWIPEGEKVKIPVAIKELREATSPKANKEILDEAYVMASVDNPHVCRLLGICLTSTVQLIMQLMPFGSLLDYVREHKDNIGSQYLLNWCVQIAKGMNYLEDRRLVHRDLAARNVLVKTPQHVKITDFGRAKLLGAAAAEYHAEGGKVPIKWMALESILHRIYTHQSDVWSYGVTVWELMTFGSKPYDGIPASEISSILEKGERLPQPPICTIDVYMIMVKCWMIDADSRPKFRELIIEFSKMARDPQRYLVIQGDERMHLPSPTDSNFYRALMDEEDMDDVVDADEYLIPQQG

QGPSGEAPNQALLRILKETEFKKIKVLGSGAFGTVYKGLWIPEGEKVKIPVAIKELREATSPKANKEILDEAYVMASVDNPHVCRLLGICLTSTVQLIMQLMPFGSLLDYVREHKDNIGSQYLLNWCVQIAKGMNYLEDRRLVHRDLAARNVLVKTPQHVKITDFGRAKLLGAAAAEYHAEGGKVPIKWMALESILHRIYTHQSDVWSYGVTVWELMTFGSKPYDGIPASEISSILEKGERLPQPPICTIDVYMIMVKCWMIDADSRPKFRELIIEFSKMARDPQRYLVIQGDERMHLPSPTDSNFYRALMDEEDMDDVVDADEYLIPQQG
Non polymer #2 A1ETY

InChI=1S/C31H36FN7O2/c1-38-14-16-39(17-15-38)25-12-10-24(11-13-25)35-31-36-29-27(30(37-31)34-23-8-2-20(19-40)3-9-23)26(18-33-29)28(41)21-4-6-22(32)7-5-21/h4-7,10-13,18,20,23,40H,2-3,8-9,14-17,19H2,1H3,(H3,33,34,35,36,37)/t20-,23+

CN1CCN(CC1)c2ccc(cc2)Nc3nc4c(c(c[nH]4)C(=O)c5ccc(cc5)F)c(n3)NC6CCC(CC6)CO
Non polymer #3 EDO

InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2

C(CO)O
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Reference