2XPA: DISCOVERY OF CELL-ACTIVE PHENYL-IMIDAZOLE PIN1 INHIBITORS BY STRUCTURE-GUIDED FRAGMENT EVOLUTION

PDB ID: 2XPADownload
MMDB ID: 87785
PDB Deposition Date: 2010/8/25
Updated in MMDB: 2023/12
Experimental Method:
x-ray diffraction
Resolution: 1.9  Å
Source Organism:
Similar Structures:
Biological Unit for 2XPA: monomeric; determined by author and by software (PISA)
Molecular Components in 2XPA
Label Count Molecule
Protein (1 molecule)
1
Peptidyl-prolyl Cis-trans Isomerase Nima-interacting 1
(Gene symbol: PIN1)
Molecule annotation
Chemicals and Non-standard biopolymers (2 molecules)
1
1
DODECAETHYLENE GLYCOLDODECAETHYLENE GLYCOL
2
1
4-[(2-amino-2-oxoethyl)(methyl)carbamoyl]-2-phenyl-1H-imidazole-5-carboxylic acid4-[(2-amino-2-oxoethyl)(methyl)carbamoyl]-2-phenyl-1H-imidazole-5-carboxylic acid
* Click molecule labels to explore molecular sequence information.
Citing MMDB
Madej T, Lanczycki CJ, Zhang D, Thiessen PA, Geer RC, Marchler-Bauer A, Bryant SH. " MMDB and VAST+: tracking structural similarities between macromolecular complexes. Nucleic Acids Res. 2014 Jan; 42(Database issue):D297-303