6RSE: Structure based optimization of JAK1-ATP binding pocket Inhibitors in the aminopyrazole class

PDB ID: 6RSEDownload
MMDB ID: 189754
PDB Deposition Date: 2019/5/21
Updated in MMDB: 2024/10
Experimental Method:
x-ray diffraction
Resolution: 1.8  Å
Source Organism:
Similar Structures:
Biological Unit for 6RSE: monomeric; determined by author
Molecular Components in 6RSE
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
methyl ~{N}-[4-aminocarbonyl-1-[(3~{R},4~{R})-4-(cyanomethyl)-1-[(4-ethenyl-2-fluoranyl-5-oxidanyl-phenyl)methyl]-3-fluoranyl-piperidin-4-yl]pyrazol-3-yl]carbamatemethyl ~{N}-[4-aminocarbonyl-1-[(3~{R},4~{R})-4-(cyanomethyl)-1-[(4-ethenyl-2-fluoranyl-5-oxidanyl-phenyl)methyl]-3-fluoranyl-piperidin-4-yl]pyrazol-3-yl]carbamate
* 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