2025-08-23_00000188
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ligand
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9JZU
Crystal structure of the PIN1 and fragment 14 complex.;
X-ray diffraction 1.68Å
Protein #1
163 residues (90% resolved)
Raw Sequence ...
MADEEKLPPGWEKAMSRSSGRVYYFNHITNASQWERPSGNSSSGGKNGQGEPARVRCSHLLVKHSQSRRPSSWRQEKITRTKEEALELINGYIQKIKSGEEDFESLASQFSDCSSAKARGDLGAFSRGQMQKPFEDASFALRTGEMSGPVFTDSGIHIILRTE
Canonical Sequence ...
MADEEKLPPGWEKAMSRSSGRVYYFNHITNASQWERPSGNSSSGGKNGQGEPARVRCSHLLVKHSQSRRPSSWRQEKITRTKEEALELINGYIQKIKSGEEDFESLASQFSDCSSAKARGDLGAFSRGQMQKPFEDASFALRTGEMSGPVFTDSGIHIILRTE
Non polymer #2
A1ED9
InChI=1S/C6H7NO/c1-5(8)6-2-3-7-4-6/h2-4,7H,1H3
InChI=1S/C6H7NO/c1-5(8)6-2-3-7-4-6/h2-4,7H,1H3
SMILES: CC(=O)c1cc[nH]c1
CC(=O)c1cc[nH]c1
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
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
SMILES: C(COCCOCCOCCOCCOCCOCCOCCO)O
C(COCCOCCOCCOCCOCCOCCOCCO)O
Biounit #1
monomer
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Model
Reference
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