2025-10-04_00000162
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ligand
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9KX7
Crystal structure of the PIN1 and fragment 34 complex.;
X-ray diffraction 1.53Å
Protein #1
163 residues (90% resolved)
Raw Sequence ...
MADEEKLPPGWEKAMSRSSGRVYYFNHITNASQWERPSGNSSSGGKNGQGEPARVRCSHLLVKHSQSRRPSSWRQEKITRTKEEALELINGYIQKIKSGEEDFESLASQFSDCSSAKARGDLGAFSRGQMQKPFEDASFALRTGEMSGPVFTDSGIHIILRTE
Canonical Sequence ...
MADEEKLPPGWEKAMSRSSGRVYYFNHITNASQWERPSGNSSSGGKNGQGEPARVRCSHLLVKHSQSRRPSSWRQEKITRTKEEALELINGYIQKIKSGEEDFESLASQFSDCSSAKARGDLGAFSRGQMQKPFEDASFALRTGEMSGPVFTDSGIHIILRTE
Non polymer #2
A1EHC
InChI=1S/C8H8N2O/c11-6-7-1-2-8-9-3-4-10(8)5-7/h1-5,11H,6H2
InChI=1S/C8H8N2O/c11-6-7-1-2-8-9-3-4-10(8)5-7/h1-5,11H,6H2
SMILES: c1cc2nccn2cc1CO
c1cc2nccn2cc1CO
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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