8UVL: Crystal structure of selective IRE1a inhibitor 29 at the enzyme active site

PDB ID: 8UVLDownload
MMDB ID: 247669
PDB Deposition Date: 2023/11/3
Updated in MMDB: 2024/07
Experimental Method:
x-ray diffraction
Resolution: 2.43  Å
Source Organism:
Similar Structures:
Biological Unit for 8UVL: monomeric; determined by software (PISA)
Molecular Components in 8UVL
Label Count Molecule
Protein (1 molecule)
1
Serine/threonine-protein Kinase/endoribonuclease Ire1
(Gene symbol: ERN1)
Molecule annotation
Chemicals and Non-standard biopolymers (9 molecules)
1
8
1,2-ETHANEDIOL1,2-ETHANEDIOL
2
1
1-phenyl-N-(2,3,6-trifluoro-4-{[(3M)-3-(2-{[(3R,5R)-5-fluoropiperidin-3-yl]amino}pyrimidin-4-yl)pyridin-2-yl]oxy}phenyl)methanesulfonamide1-phenyl-N-(2,3,6-trifluoro-4-{[(3M)-3-(2-{[(3R,5R)-5-fluoropiperidin-3-yl]amino}pyrimidin-4-yl)pyridin-2-yl]oxy}phenyl)methanesulfonamide
* 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