2026-07-11_00000217|ligand|9VTU

Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with Compound 20a and GRIP Peptide; X-ray diffraction 2.09Å
Protein #1 261 residues (93% resolved)

GAGSLALSLTADQMVSALLDAEPPILYSEYDPTRPFSEASMMGLLTNLADRELVHMINWAKRVPGFVDLTLHDQVHLLECAWLEILMIGLVWRSMEHPGKLLFAPNLLLDRNQGKCVEGMVEIFDMLLATSSRFRMMNLQGEEFVCLKSIILLNSGVYTFLSSTLKSLEEKDHIHRVLDKITDTLIHLMAKAGLTLQQQHQRLAQLLLILSHIRHMSNKGMEHLYSMKCKNVVPLSDLLLEMLDAHRLHAPTSAILHRLLQ

GAGSLALSLTADQMVSALLDAEPPILYSEYDPTRPFSEASMMGLLTNLADRELVHMINWAKRVPGFVDLTLHDQVHLLECAWLEILMIGLVWRSMEHPGKLLFAPNLLLDRNQGKCVEGMVEIFDMLLATSSRFRMMNLQGEEFVCLKSIILLNSGVYTFLSSTLKSLEEKDHIHRVLDKITDTLIHLMAKAGLTLQQQHQRLAQLLLILSHIRHMSNKGMEHLYSMKCKNVVPLSDLLLEMLDAHRLHAPTSAILHRLLQ
Non polymer #2 A1ETN

InChI=1S/C38H39F3N2O7S/c39-38(40,41)21-43(27-5-11-30(12-6-27)49-20-33(46)42-37-17-22-13-23(18-37)15-24(14-22)19-37)51(47,48)32-16-31-34(25-1-7-28(44)8-2-25)35(36(32)50-31)26-3-9-29(45)10-4-26/h1-12,22-24,31-32,36,44-45H,13-21H2,(H,42,46)/t22-,23+,24-,31-,32+,36+,37-/m0/s1

c1cc(ccc1C2=C([C@H]3[C@@H](C[C@@H]2O3)S(=O)(=O)N(CC(F)(F)F)c4ccc(cc4)OCC(=O)NC56CC7CC(C5)CC(C7)C6)c8ccc(cc8)O)O
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Reference