2BRN: Structure-based Design of Novel Chk1 Inhibitors: Insights into Hydrogen Bonding and Protein-Ligand Affinity

PDB ID: 2BRNDownload
MMDB ID: 33403
PDB Deposition Date: 2005/5/9
Updated in MMDB: 2023/12
Experimental Method:
x-ray diffraction
Resolution: 2.8  Å
Source Organism:
Similar Structures:
Biological Unit for 2BRN: monomeric; determined by author and by software (PQS)
Molecular Components in 2BRN
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
(2R)-1-[(5,6-DIPHENYL-7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)AMINO]PROPAN-2-OL(2R)-1-[(5,6-DIPHENYL-7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)AMINO]PROPAN-2-OL
* 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