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

PDB ID: 3KAIDownload
MMDB ID: 78935
PDB Deposition Date: 2009/10/19
Updated in MMDB: 2009/12
Experimental Method:
x-ray diffraction
Resolution: 1.9  Å
Source Organism:
Similar Structures:
Biological Unit for 3KAI: monomeric; determined by author and by software (PISA)
Molecular Components in 3KAI
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
(2R)-2-[(2-methyl-5-phenyl-pyrazol-3-yl)carbonylamino]-3-naphthalen-2-yl-propanoic acid(2R)-2-[(2-methyl-5-phenyl-pyrazol-3-yl)carbonylamino]-3-naphthalen-2-yl-propanoic 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