2X8D: Discovery of a Novel Class of triazolones as Checkpoint Kinase Inhibitors - Hit to Lead Exploration

PDB ID: 2X8DDownload
MMDB ID: 83917
PDB Deposition Date: 2010/3/8
Updated in MMDB: 2023/12
Experimental Method:
x-ray diffraction
Resolution: 1.9  Å
Source Organism:
Similar Structures:
Biological Unit for 2X8D: monomeric; determined by author and by software (PISA)
Molecular Components in 2X8D
Label Count Molecule
Protein (1 molecule)
1
Serine/threonine-protein Kinase Chk1
(Gene symbol: CHEK1)
Molecule annotation
Chemicals and Non-standard biopolymers (3 molecules)
1
1
5-METHYL[1,2,4]TRIAZOLO[4,3-A]QUINOLIN-1(2H)-ONE5-METHYL[1,2,4]TRIAZOLO[4,3-A]QUINOLIN-1(2H)-ONE
2
2
SULFATE IONSULFATE 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