2026-03-07_00000057
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ligand
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9JFH
Crystal Structure of human Pin1 catalytic domain in complex with a covalent inhibitor;
X-ray diffraction 2.56Å
Protein #1
121 residues (93% resolved)
Raw Sequence ...
GPGKNGQGEPARVRCSHLLVKHSQSRRPSSWRQEQITRTQEEALELINGYIQKIKSGEEDFESLASQFSDCSSAKARGDLGAFSRGQMQKPFEDASFALRTGEMSGPVFTDSGIHIILRTE
Canonical Sequence ...
GPGKNGQGEPARVRCSHLLVKHSQSRRPSSWRQEQITRTQEEALELINGYIQKIKSGEEDFESLASQFSDCSSAKARGDLGAFSRGQMQKPFEDASFALRTGEMSGPVFTDSGIHIILRTE
Non polymer #2
A1EBS
InChI=1S/C11H15F2NO3/c1-17-10(16)3-2-9(15)14-8-4-6-11(12,13)7-5-8/h2-3,8H,4-7H2,1H3,(H,14,15)/b3-2-
InChI=1S/C11H15F2NO3/c1-17-10(16)3-2-9(15)14-8-4-6-11(12,13)7-5-8/h2-3,8H,4-7H2,1H3,(H,14,15)/b3-2-
SMILES: COC(=O)/C=C\C(=O)NC1CCC(CC1)(F)F
COC(=O)/C=C\C(=O)NC1CCC(CC1)(F)F
Non polymer #3
CIT
InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
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
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
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