2026-03-07_00000056|ligand|9JF6

Crystal Structure of human Pin1 in complex with a covalent inhibitor; X-ray diffraction 2.96Å
Protein #1 158 residues (95% resolved)

KLPPGWEKRMSRSSGRVYYFNHITNASQWERPSGNSSSGGKNGQGEPARVRCSHLLVKHSQSRRPSSWRQEQITRTQEEALELINGYIQKIKSGEEDFESLASQFSDCSSAKARGDLGAFSRGQMQKPFEDASFALRTGEMSGPVFTDSGIHIILRTE

KLPPGWEKRMSRSSGRVYYFNHITNASQWERPSGNSSSGGKNGQGEPARVRCSHLLVKHSQSRRPSSWRQEQITRTQEEALELINGYIQKIKSGEEDFESLASQFSDCSSAKARGDLGAFSRGQMQKPFEDASFALRTGEMSGPVFTDSGIHIILRTE
Non polymer #2 1PG

InChI=1S/C11H24O6/c1-13-4-5-15-8-9-17-11-10-16-7-6-14-3-2-12/h12H,2-11H2,1H3

COCCOCCOCCOCCOCCO
Non polymer #3 A1EBR

InChI=1S/C18H19NO5S2/c1-24-18(21)7-6-17(20)19(14-8-9-26(22,23)12-14)11-15-10-13-4-2-3-5-16(13)25-15/h2-7,10,14H,8-9,11-12H2,1H3/t14-/m1/s1

COC(=O)/C=C\C(=O)N(Cc1cc2ccccc2s1)[C@H]3CCS(=O)(=O)C3
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Reference