Identification of a buried pocket for potent and selective inhibition of CHK1: prediction and verification

Structure

x-ray diffraction · 1 distinct chain.

Compared structures

• 2C3L · Identification of a buried pocket for potent and selective inhibition of Chk1: prediction… · the same entry in another collection · chain A against A, TM-score 1.00
• 1IA8 · The 1.7 a crystal structure of human cell cycle checkpoint kinase CHK1 · an experimental structure of the same protein · chain A against A, TM-score 1.00
• 2HXQ · Crystal structure of CHEK1 in complex with inhibitor 2 · an experimental structure of the same protein · chain A against A, TM-score 1.00
• 2HXQ · crystal structure of Chek1 in complex with inhibitor 2 · an experimental structure of the same protein · chain A against A, TM-score 1.00
• 2HXL · Crystal structure of CHEK1 in complex with inhibitor 1 · an experimental structure of the same protein · chain A against A, TM-score 1.00
• 2HXL · crystal structure of Chek1 in complex with inhibitor 1 · an experimental structure of the same protein · chain A against A, TM-score 1.00
• 2BR1 · Structure-based Design of Novel Chk1 Inhibitors: Insights into Hydrogen Bonding and… · an experimental structure of the same protein · chain A against A, TM-score 1.00
• 2BRB · Structure-based Design of Novel Chk1 Inhibitors: Insights into Hydrogen Bonding and… · an experimental structure of the same protein · chain A against A, TM-score 1.00
• 2YDI · Discovery of checkpoint kinase inhibitor AZD7762 by structure based design and… · an experimental structure of the same protein · chain A against A, TM-score 1.00
• 2YDI · Discovery of Checkpoint Kinase Inhibitor AZD7762 by Structure Based Design and… · an experimental structure of the same protein · chain A against A, TM-score 1.00
• 2X8D · Discovery of a Novel Class of triazolones as Checkpoint Kinase Inhibitors - Hit to Lead… · an experimental structure of the same protein · chain A against A, TM-score 1.00

Analyse

• Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
• Every structure of UniProt O14757
• Elsewhere: RCSB PDB 2C3L · PDBe 2C3L · UniProt O14757 · AlphaFold DB O14757