2026-07-25_00000124|ligand|9NTP

EGFR kinase domain (T790MV948R) in complex with a strain-release covalent inhibitor; X-ray diffraction 1.55Å
Protein #1 329 residues (92% resolved)

GPGEAPNQALLRILKETEFKKIKVLGSGAFGTVYKGLWIPEGEKVKIPVAIKELREATSPKANKEILDEAYVMASVDNPHVCRLLGICLTSTVQLIMQLMPFGCLLDYVREHKDNIGSQYLLNWCVQIAKGMNYLEDRRLVHRDLAARNVLVKTPQHVKITDFGLAKLLGAEEKEYHAEGGKVPIKWMALESILHRIYTHQSDVWSYGVTVWELMTFGSKPYDGIPASEISSILEKGERLPQPPICTIDVYMIMRKCWMIDADSRPKFRELIIEFSKMARDPQRYLVIQGDERMHLPSPTDSNFYRALMDEEDMDDVVDADEYLIPQQG

GPGEAPNQALLRILKETEFKKIKVLGSGAFGTVYKGLWIPEGEKVKIPVAIKELREATSPKANKEILDEAYVMASVDNPHVCRLLGICLTSTVQLIMQLMPFGCLLDYVREHKDNIGSQYLLNWCVQIAKGMNYLEDRRLVHRDLAARNVLVKTPQHVKITDFGLAKLLGAEEKEYHAEGGKVPIKWMALESILHRIYTHQSDVWSYGVTVWELMTFGSKPYDGIPASEISSILEKGERLPQPPICTIDVYMIMRKCWMIDADSRPKFRELIIEFSKMARDPQRYLVIQGDERMHLPSPTDSNFYRALMDEEDMDDVVDADEYLIPQQG
Non polymer #2 A1B6E

InChI=1S/C22H22ClFN4O4S/c23-17-8-13(4-5-18(17)24)27-22-16-9-20(28-33(29,30)15-2-1-3-15)21(10-19(16)25-12-26-22)32-14-6-7-31-11-14/h4-5,8-10,12,14-15,28H,1-3,6-7,11H2,(H,25,26,27)/t14-/m0/s1

c1cc(c(cc1Nc2c3cc(c(cc3ncn2)O[C@H]4CCOC4)NS(=O)(=O)C5CCC5)Cl)F
Non polymer #3 EDO

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

C(CO)O
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Reference