3KAH: Structure-guided design of alpha-amino acid-derived Pin1 inhibitors

PDB ID: 3KAHDownload
MMDB ID: 78934
PDB Deposition Date: 2009/10/19
Updated in MMDB: 2009/12
Experimental Method:
x-ray diffraction
Resolution: 2.3  Å
Source Organism:
Similar Structures:
Biological Unit for 3KAH: monomeric; determined by author and by software (PISA)
Molecular Components in 3KAH
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
3-(1H-benzimidazol-2-yl)-N-[(1-methyl-3-phenyl-1H-pyrazol-5-yl)carbonyl]-D-alanine3-(1H-benzimidazol-2-yl)-N-[(1-methyl-3-phenyl-1H-pyrazol-5-yl)carbonyl]-D-alanine
* 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