6ZJZ: Discovery of M5049: a novel selective TLR7/8 inhibitor for treatment of autoimmunity

PDB ID: 6ZJZDownload
MMDB ID: 197002
PDB Deposition Date: 2020/6/29
Updated in MMDB: 2024/10
Experimental Method:
x-ray diffraction
Resolution: 2.489  Å
Source Organism:
Similar Structures:
Biological Unit for 6ZJZ: dimeric; determined by author and by software (PISA)
Molecular Components in 6ZJZ
Label Count Molecule
Proteins (2 molecules)
2
Toll-like Receptor 8
(Gene symbol: TLR8)
Molecule annotation
Chemicals and Non-standard biopolymers (40 molecules)
1
21
2-acetamido-2-deoxy-beta-D-glucopyranose2-acetamido-2-deoxy-beta-D-glucopyranose
2
6
beta-D-mannopyranosebeta-D-mannopyranose
3
10
alpha-D-mannopyranosealpha-D-mannopyranose
4
2
5-[(3~{R},5~{S})-3-azanyl-5-(trifluoromethyl)piperidin-1-yl]quinoline-8-carbonitrile5-[(3~{R},5~{S})-3-azanyl-5-(trifluoromethyl)piperidin-1-yl]quinoline-8-carbonitrile
5
1
FORMIC ACIDFORMIC ACID
* 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