4HYF: Structural basis and SAR for OD 270, a lead stage 1,2,4-triazole based specific Tankyrase1/2 inhibitor

PDB ID: 4HYFDownload
MMDB ID: 108460
PDB Deposition Date: 2012/11/13
Updated in MMDB: 2017/11
Experimental Method:
x-ray diffraction
Resolution: 2.8  Å
Source Organism:
Similar Structures:
Biological Unit for 4HYF: monomeric; determined by author and by software (PISA)
Molecular Components in 4HYF
Label Count Molecule
Protein (1 molecule)
1
Tankyrase-2
(Gene symbol: TNKS2)
Molecule annotation
Chemicals and Non-standard biopolymers (3 molecules)
1
1
NICOTINAMIDENICOTINAMIDE
2
1
ZINC IONZINC ION
3
1
4-{5-[(E)-2-{4-(2-chlorophenyl)-5-[5-(methylsulfonyl)pyridin-2-yl]-4H-1,2,4-triazol-3-yl}ethenyl]-1,3,4-oxadiazol-2-yl}benzonitrile4-{5-[(E)-2-{4-(2-chlorophenyl)-5-[5-(methylsulfonyl)pyridin-2-yl]-4H-1,2,4-triazol-3-yl}ethenyl]-1,3,4-oxadiazol-2-yl}benzonitrile
* 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