3IEJ: Pyrazole-based Cathepsin S Inhibitors with Arylalkynes as P1 Binding Elements

PDB ID: 3IEJDownload
MMDB ID: 77205
PDB Deposition Date: 2009/7/22
Updated in MMDB: 2021/10
Experimental Method:
x-ray diffraction
Resolution: 2.18  Å
Source Organism:
Similar Structures:
Biological Unit for 3IEJ: monomeric; determined by author and by software (PISA)
Molecular Components in 3IEJ
Label Count Molecule
Protein (1 molecule)
1
Cathepsin S
(Gene symbol: CTSS)
Molecule annotation
Chemical and Non-standard biopolymers (1 molecule)
1
1
2-[3-{4-chloro-3-[(4-chlorophenyl)ethynyl]phenyl}-1-(3-morpholin-4-ylpropyl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]-2-oxoethanol2-[3-{4-chloro-3-[(4-chlorophenyl)ethynyl]phenyl}-1-(3-morpholin-4-ylpropyl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]-2-oxoethanol
* 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