2CGW: Identification of chemically diverse Chk1 inhibitors by receptor- based virtual screening

PDB ID: 2CGWDownload
MMDB ID: 38612
PDB Deposition Date: 2006/3/9
Updated in MMDB: 2023/12
Experimental Method:
x-ray diffraction
Resolution: 2.2  Å
Source Organism:
Similar Structures:
Biological Unit for 2CGW: monomeric; determined by author and by software (PQS)
Molecular Components in 2CGW
Label Count Molecule
Protein (1 molecule)
1
Serine/threonine-protein Kinase Chk1
(Gene symbol: CHEK1)
Molecule annotation
Chemical and Non-standard biopolymers (1 molecule)
1
1
4,4'-(1-PROPYL-1H-1,2,4-TRIAZOLE-3,5-DIYL)BIS(2,5-DIHYDRO-1,2,5-OXADIAZOL-3-AMINE)4,4'-(1-PROPYL-1H-1,2,4-TRIAZOLE-3,5-DIYL)BIS(2,5-DIHYDRO-1,2,5-OXADIAZOL-3-AMINE)
* 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