2YDI: Discovery of Checkpoint Kinase Inhibitor AZD7762 by Structure Based Design and Optimization of Thiophene Carboxamide Ureas

PDB ID: 2YDIDownload
MMDB ID: 98478
PDB Deposition Date: 2011/3/21
Updated in MMDB: 2012/06
Experimental Method:
x-ray diffraction
Resolution: 1.6  Å
Source Organism:
Similar Structures:
Biological Unit for 2YDI: monomeric; determined by author and by software (PISA)
Molecular Components in 2YDI
Label Count Molecule
Protein (1 molecule)
1
Serine/threonine-protein Kinase Chk1
(Gene symbol: CHEK1)
Molecule annotation
Chemicals and Non-standard biopolymers (2 molecules)
1
1
SULFATE IONSULFATE ION
2
1
5-[4-(2-DIMETHYLAMINOETHYLOXY)PHENYL]-2-UREIDO-THIOPHENE-3-CARBOXAMIDE5-[4-(2-DIMETHYLAMINOETHYLOXY)PHENYL]-2-UREIDO-THIOPHENE-3-CARBOXAMIDE
* 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