2026-05-23_00000428|ligand|9ZMH

Structure of PTP1b complexed with difluoromethylphosphonate inhibitor Compound 30; X-ray diffraction 1.94Å
Protein #1 333 residues (86% resolved)

MDYKDDDDKLEFMEMEKEFEQIDKSGSWAAIYQDIRHEASDFPCRVAKLPKNKNRNRYRDVSPFDHSRIKLHQEDNDYINASLIKMEEAQRSYILTQGPLPNTCGHFWEMVWEQKSRGVVMLNRVMEKGSLKCAQYWPQKEEKEMIFEDTNLKLTLISEDIKSYYTVRQLELENLTTQETREILHFHYTTWPDFGVPESPASFLNFLFKVRESGSLSPEHGPVVVHCSAGIGRSGTFCLADTCLLLMDKRKDPSSVDIKKVLLEMRKFRMGLIQTADQLRFSYLAVIEGAKFIMGDSSVQDQWKELSHEDLEPPPEHIPPPPRPPKRILEPHN

MDYKDDDDKLEFMEMEKEFEQIDKSGSWAAIYQDIRHEASDFPCRVAKLPKNKNRNRYRDVSPFDHSRIKLHQEDNDYINASLIKMEEAQRSYILTQGPLPNTCGHFWEMVWEQKSRGVVMLNRVMEKGSLKCAQYWPQKEEKEMIFEDTNLKLTLISEDIKSYYTVRQLELENLTTQETREILHFHYTTWPDFGVPESPASFLNFLFKVRESGSLSPEHGPVVVHCSAGIGRSGTFCLADTCLLLMDKRKDPSSVDIKKVLLEMRKFRMGLIQTADQLRFSYLAVIEGAKFIMGDSSVQDQWKELSHEDLEPPPEHIPPPPRPPKRILEPHN
Non polymer #2 A1C3D

InChI=1S/C20H21BrF2N3O6PS/c1-19(2,28)5-7-32-14-9-11(18(27)24-10-12-4-3-6-25-26-12)8-13-15(21)17(34-16(13)14)20(22,23)33(29,30)31/h3-4,6,8-9,28H,5,7,10H2,1-2H3,(H,24,27)(H2,29,30,31)

CC(C)(CCOc1cc(cc2c1sc(c2Br)C(F)(F)P(=O)(O)O)C(=O)NCc3cccnn3)O
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Reference