8Q13: Endothiapepsin in complex with ligand (3R,5R)-5-(3-(2-amino-4-(trifluoromethyl)phenyl)-1,2,4-oxadiazol-5-yl)-3-(2-((methyl(prop-2-yn-1-yl)amino)methyl)thiazol-4-yl)pyrrolidin-3-ol (CBWS-SE-168)

PDB ID: 8Q13Download
MMDB ID: 250693
PDB Deposition Date: 2023/7/29
Updated in MMDB: 2024/08
Experimental Method:
x-ray diffraction
Resolution: 1.26  Å
Source Organism:
Similar Structures:
Biological Unit for 8Q13: monomeric; determined by author
Molecular Components in 8Q13
Label Count Molecule
Protein (1 molecule)
1
Endothiapepsin
Molecule annotation
Chemicals and Non-standard biopolymers (9 molecules)
1
5
DIMETHYL SULFOXIDEDIMETHYL SULFOXIDE
2
3
(4S)-2-METHYL-2,4-PENTANEDIOL(4S)-2-METHYL-2,4-PENTANEDIOL
3
1
(3~{R},5~{R})-5-[3-[2-azanyl-4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-3-[2-[[methyl(prop-2-ynyl)amino]methyl]-1,3-thiazol-4-yl]pyrrolidin-3-ol(3~{R},5~{R})-5-[3-[2-azanyl-4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-3-[2-[[methyl(prop-2-ynyl)amino]methyl]-1,3-thiazol-4-yl]pyrrolidin-3-ol
* 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