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

PDB ID: 6RSHDownload
MMDB ID: 189755
PDB Deposition Date: 2019/5/21
Updated in MMDB: 2020/07
Experimental Method:
x-ray diffraction
Resolution: 1.71  Å
Source Organism:
Similar Structures:
Biological Unit for 6RSH: dimeric; determined by software (PISA)
Molecular Components in 6RSH
Label Count Molecule
Proteins (2 molecules)
2
Tyrosine-protein Kinase Jak1
(Gene symbol: JAK1)
Molecule annotation
Chemicals and Non-standard biopolymers (2 molecules)
1
2
1-[(3~{R},4~{R})-4-(cyanomethyl)-3-fluoranyl-1-[(4-phenylphenyl)methyl]piperidin-4-yl]-3-(cyclopropylcarbonylamino)pyrazole-4-carboxamide1-[(3~{R},4~{R})-4-(cyanomethyl)-3-fluoranyl-1-[(4-phenylphenyl)methyl]piperidin-4-yl]-3-(cyclopropylcarbonylamino)pyrazole-4-carboxamide
* 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