6TPE: Fragment-based discovery of pyrazolopyridones as JAK1 inhibitors with excellent subtype selectivity

PDB ID: 6TPEDownload
MMDB ID: 188748
PDB Deposition Date: 2019/12/13
Updated in MMDB: 2020/07
Experimental Method:
x-ray diffraction
Resolution: 2.87  Å
Source Organism:
Similar Structures:
Biological Unit for 6TPE: monomeric; determined by author
Molecular Components in 6TPE
Label Count Molecule
Protein (1 molecule)
1
Tyrosine-protein Kinase Jak1
(Gene symbol: JAK1)
Molecule annotation
Chemical and Non-standard biopolymers (1 molecule)
1
1
2-[4-(3-methyl-6-oxidanylidene-1,7-dihydropyrazolo[3,4-b]pyridin-4-yl)cyclohexyl]ethanenitrile2-[4-(3-methyl-6-oxidanylidene-1,7-dihydropyrazolo[3,4-b]pyridin-4-yl)cyclohexyl]ethanenitrile
* 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