2026-09-05_00000248
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ligand
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9WN5
Human Pin1 (Peptidyl-prolyl cis-trans isomerase) catalytic domain in complex with a covalent inhibitor;
X-ray diffraction 2.47Å
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
A1EYA
InChI=1S/C17H18FNO3S2/c1-12(20)19(15-8-9-24(21,22)11-15)10-16-6-7-17(23-16)13-2-4-14(18)5-3-13/h2-7,15H,8-11H2,1H3/t15-/m1/s1
InChI=1S/C17H18FNO3S2/c1-12(20)19(15-8-9-24(21,22)11-15)10-16-6-7-17(23-16)13-2-4-14(18)5-3-13/h2-7,15H,8-11H2,1H3/t15-/m1/s1
SMILES: CC(=O)N(Cc1ccc(s1)c2ccc(cc2)F)[C@@H]3CCS(=O)(=O)C3
CC(=O)N(Cc1ccc(s1)c2ccc(cc2)F)[C@@H]3CCS(=O)(=O)C3
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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