4TYD: Structure-based design of a novel series of azetidine inhibitors of the hepatitis C virus NS3/4A serine protease

PDB ID: 4TYDDownload
MMDB ID: 123106
PDB Deposition Date: 2014/7/8
Updated in MMDB: 2014/10
Experimental Method:
x-ray diffraction
Resolution: 2.84  Å
Source Organism:
Similar Structures:
Biological Unit for 4TYD: trimeric; determined by software
Molecular Components in 4TYD
Label Count Molecule
Proteins (3 molecules)
3
NS3 Protease
Molecule annotation
Chemicals and Non-standard biopolymers (10 molecules)
1
3
ZINC IONZINC ION
2
3
(4R,6S,7Z,15S,17S)-17-[({7-methoxy-2-[4-(propan-2-yl)-1,3-thiazol-2-yl]quinolin-4-yl}oxy)methyl]-13-methyl-N-[(1-methylcyclopropyl)sulfonyl]-2,14-dioxo-1,3,13-triazatricyclo[13.2.0.0~4,6~]heptadec-7-ene-4-carboxamide(4R,6S,7Z,15S,17S)-17-[({7-methoxy-2-[4-(propan-2-yl)-1,3-thiazol-2-yl]quinolin-4-yl}oxy)methyl]-13-methyl-N-[(1-methylcyclopropyl)sulfonyl]-2,14-dioxo-1,3,13-triazatricyclo[13.2.0.0~4,6~]heptadec-7-ene-4-carboxamide
3
4
CHLORIDE IONCHLORIDE ION
* 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