2024-11-02_00000340|ligand|9FIR

Structure-guided discovery of selective USP7 inhibitors with in vivo activity; X-ray diffraction 2.76Å
Protein #1 355 residues (92% resolved)

GSKKHTGYVGLKNQGATCYMNSLLQTLFFTNQLRKAVYMMPTEGDDSSKSVPLALQRVFYELQHSDKPVGTKKLTKSFGWETLDSFMQHDVQELCRVLLDNVENKMKGTCVEGTIPKLFRGKMVSYIQCKEVDYRSDRREDYYDIQLSIKGKKNIFESFVDYVAVEQLDGDNKYDAGEHGLQEAEKGVKFLTLPPVLHLQLMRFMYDPQTDQNIKINDRFEFPEQLPLDEFLQKTDPKDPANYILHAVLVHSGDNHGGHYVVYLNPKGDGKWCKFDDDVVSRCTKEEAIEHNYGGHDDDLSVRHCTNAYMLVYIRESKLSEVLQAVTDHDIPQQLVERLQEEKRIEAQKRKERQE

GSKKHTGYVGLKNQGATCYMNSLLQTLFFTNQLRKAVYMMPTEGDDSSKSVPLALQRVFYELQHSDKPVGTKKLTKSFGWETLDSFMQHDVQELCRVLLDNVENKMKGTCVEGTIPKLFRGKMVSYIQCKEVDYRSDRREDYYDIQLSIKGKKNIFESFVDYVAVEQLDGDNKYDAGEHGLQEAEKGVKFLTLPPVLHLQLMRFMYDPQTDQNIKINDRFEFPEQLPLDEFLQKTDPKDPANYILHAVLVHSGDNHGGHYVVYLNPKGDGKWCKFDDDVVSRCTKEEAIEHNYGGHDDDLSVRHCTNAYMLVYIRESKLSEVLQAVTDHDIPQQLVERLQEEKRIEAQKRKERQE
Non polymer #2 A1ICS

InChI=1S/C27H30N4O4/c1-29-23(32)12-11-21(24(29)19-7-3-2-4-8-19)26(34)30-15-13-27(35,14-16-30)17-31-18-28-22-10-6-5-9-20(22)25(31)33/h2-10,18,21,24,35H,11-17H2,1H3/t21-,24+/m0/s1

CN1[C@@H]([C@H](CCC1=O)C(=O)N2CCC(CC2)(CN3C=Nc4ccccc4C3=O)O)c5ccccc5
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Reference