2026-01-24_00000071
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ligand
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9DM8
EGFR wildtype in complex with BI-8128;
X-ray diffraction 2.13Å
Protein #1
327 residues (88% resolved)
Raw Sequence ...
GEAPNQALLRILKETEFKKIKVLGSGAFGTVYKGLWIPEGEKVKIPVAIKELREATSPKANKEILDEAYVMASVDNPHVCRLLGICLTSTVQLITQLMPFGCLLDYVREHKDNIGSQYLLNWCVQIAKGMNYLEDRRLVHRDLAARNVLVKTPQHVKITDFGLAKLLGAEEKEYHAEGGKVPIKWMALESILHRIYTHQSDVWSYGVTVWELMTFGSKPYDGIPASEISSILEKGERLPQPPICTIDVYMIMVKCWMIDADSRPKFRELIIEFSKMARDPQRYLVIQGDERMHLPSPTDSNFYRALMDEEDMDDVVDADEYLIPQQG
Canonical Sequence ...
GEAPNQALLRILKETEFKKIKVLGSGAFGTVYKGLWIPEGEKVKIPVAIKELREATSPKANKEILDEAYVMASVDNPHVCRLLGICLTSTVQLITQLMPFGCLLDYVREHKDNIGSQYLLNWCVQIAKGMNYLEDRRLVHRDLAARNVLVKTPQHVKITDFGLAKLLGAEEKEYHAEGGKVPIKWMALESILHRIYTHQSDVWSYGVTVWELMTFGSKPYDGIPASEISSILEKGERLPQPPICTIDVYMIMVKCWMIDADSRPKFRELIIEFSKMARDPQRYLVIQGDERMHLPSPTDSNFYRALMDEEDMDDVVDADEYLIPQQG
Non polymer #2
A1A6K
InChI=1S/C32H38N10O3/c1-20-23-17-34-42(26(23)14-25(35-20)24-16-33-6-5-28(24)44-4)29-15-27-30(31(36-29)41-18-22-13-21(41)19-45-22)37-32(38(27)2)40-9-7-39(8-10-40)11-12-43-3/h5-6,14-17,21-22H,7-13,18-19H2,1-4H3
InChI=1S/C32H38N10O3/c1-20-23-17-34-42(26(23)14-25(35-20)24-16-33-6-5-28(24)44-4)29-15-27-30(31(36-29)41-18-22-13-21(41)19-45-22)37-32(38(27)2)40-9-7-39(8-10-40)11-12-43-3/h5-6,14-17,21-22H,7-13,18-19H2,1-4H3
SMILES: Cc1c2cnn(c2cc(n1)c3cnccc3OC)c4cc5c(c(n4)N6C[C@H]7C[C@@H]6CO7)nc(n5C)N8CCN(CC8)CCOC
Cc1c2cnn(c2cc(n1)c3cnccc3OC)c4cc5c(c(n4)N6C[C@H]7C[C@@H]6CO7)nc(n5C)N8CCN(CC8)CCOC
Non polymer #3
MES
InChI=1S/C6H13NO4S/c8-12(9,10)6-3-7-1-4-11-5-2-7/h1-6H2,(H,8,9,10)
InChI=1S/C6H13NO4S/c8-12(9,10)6-3-7-1-4-11-5-2-7/h1-6H2,(H,8,9,10)
SMILES: C1COCC[NH+]1CCS(=O)(=O)[O-]
C1COCC[NH+]1CCS(=O)(=O)[O-]
Biounit #1
monomer
Download coordinates
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Model
Reference
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