2025-08-23_00000181|ligand|9JYV

Crystal structure of the PIN1 and fragment 6 complex.; X-ray diffraction 1.80Å
Protein #1 163 residues (90% resolved)

MADEEKLPPGWEKAMSRSSGRVYYFNHITNASQWERPSGNSSSGGKNGQGEPARVRCSHLLVKHSQSRRPSSWRQEKITRTKEEALELINGYIQKIKSGEEDFESLASQFSDCSSAKARGDLGAFSRGQMQKPFEDASFALRTGEMSGPVFTDSGIHIILRTE

MADEEKLPPGWEKAMSRSSGRVYYFNHITNASQWERPSGNSSSGGKNGQGEPARVRCSHLLVKHSQSRRPSSWRQEKITRTKEEALELINGYIQKIKSGEEDFESLASQFSDCSSAKARGDLGAFSRGQMQKPFEDASFALRTGEMSGPVFTDSGIHIILRTE
Non polymer #2 A1ED2

InChI=1S/C6H7NO/c1-7-5-3-2-4-6(7)8/h2-5H,1H3

CN1C=CC=CC1=O
Non polymer #3 PE8

InChI=1S/C16H34O9/c17-1-3-19-5-7-21-9-11-23-13-15-25-16-14-24-12-10-22-8-6-20-4-2-18/h17-18H,1-16H2

C(COCCOCCOCCOCCOCCOCCOCCO)O
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Reference