3ODK: Discovery of cell-active phenyl-imidazole Pin1 inhibitors by structure-guided fragment evolution

PDB ID: 3ODKDownload
MMDB ID: 85800
PDB Deposition Date: 2010/8/11
Updated in MMDB: 2010/11
Experimental Method:
x-ray diffraction
Resolution: 2.3  Å
Source Organism:
Similar Structures:
Biological Unit for 3ODK: monomeric; determined by author
Molecular Components in 3ODK
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
2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL
2
1
3-pyridin-2-yl-1H-pyrazole-5-carboxylic acid3-pyridin-2-yl-1H-pyrazole-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