2026-09-05_00000256
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ligand
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9WNN
Human Pin1 (Peptidyl-prolyl cis-trans isomerase) catalytic domain in complex with a covalent inhibitor;
X-ray diffraction 2.12Å
Protein #1
121 residues (93% resolved)
Raw Sequence ...
GPGKNGQGEPARVRCSHLLVKHSQSRRPSSWRQEQITRTQEEALELINGYIQKIKSGEEDFESLASQFSDCSSAKARGDLGAFSRGQMQKPFEDASFALRTGEMSGPVFTDSGIHIILRTE
Canonical Sequence ...
GPGKNGQGEPARVRCSHLLVKHSQSRRPSSWRQEQITRTQEEALELINGYIQKIKSGEEDFESLASQFSDCSSAKARGDLGAFSRGQMQKPFEDASFALRTGEMSGPVFTDSGIHIILRTE
Non polymer #2
A1ERA
InChI=1S/C6H14O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h3-5,7-13H,1-2H2
InChI=1S/C6H14O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h3-5,7-13H,1-2H2
SMILES: C(C(O)O)C(CC(O)O)(C(O)O)O
C(C(O)O)C(CC(O)O)(C(O)O)O
Non polymer #3
A1EX9
InChI=1S/C16H17F2NOS/c1-11(20)19(13-6-7-16(17,18)9-13)10-14-8-12-4-2-3-5-15(12)21-14/h2-5,8,13H,6-7,9-10H2,1H3/t13-/m0/s1
InChI=1S/C16H17F2NOS/c1-11(20)19(13-6-7-16(17,18)9-13)10-14-8-12-4-2-3-5-15(12)21-14/h2-5,8,13H,6-7,9-10H2,1H3/t13-/m0/s1
SMILES: CC(=O)N(Cc1cc2ccccc2s1)[C@H]3CCC(C3)(F)F
CC(=O)N(Cc1cc2ccccc2s1)[C@H]3CCC(C3)(F)F
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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