3SHE: Novel ATP-competitive MK2 inhibitors with potent biochemical and cell-based activity throughout the series

PDB ID: 3SHEDownload
MMDB ID: 95730
PDB Deposition Date: 2011/6/16
Updated in MMDB: 2011/12
Experimental Method:
x-ray diffraction
Resolution: 2.25  Å
Source Organism:
Similar Structures:
Biological Unit for 3SHE: monomeric; determined by author and by software (PISA)
Molecular Components in 3SHE
Label Count Molecule
Protein (1 molecule)
1
MAP Kinase-activated Protein Kinase 3
(Gene symbol: MAPKAPK3)
Molecule annotation
Chemical and Non-standard biopolymers (1 molecule)
1
1
N-{4-[(3S)-4'-oxo-1',4',5',6'-tetrahydrospiro[piperidine-3,7'-pyrrolo[3,2-c]pyridin]-2'-yl]pyridin-2-yl}-3-(trifluoromethyl)benzamideN-{4-[(3S)-4'-oxo-1',4',5',6'-tetrahydrospiro[piperidine-3,7'-pyrrolo[3,2-c]pyridin]-2'-yl]pyridin-2-yl}-3-(trifluoromethyl)benzamide
* 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