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3IEJ:
Pyrazole-based Cathepsin S Inhibitors with Arylalkynes as P1 Binding Elements
PDB ID:
3IEJ
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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:
Homo sapiens
Similar Structures:
VAST+
Download sequence data
Biological Unit for 3IEJ: monomeric; determined by author and by software (PISA)
Molecular Components in 3IEJ
Label
Count
Molecule
Protein (1 molecule)
A
1
Cathepsin S
(Gene symbol:
CTSS
)
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-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