2BRM

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

Summary for 2BRM

Entry DOI	10.2210/pdb2brm/pdb
Related	1IA8 1NVQ 1NVR 1NVS 2BR1 2BRB 2BRG 2BRH 2BRN 2BRO
Descriptor	SERINE/THREONINE-PROTEIN KINASE CHK1, 3-AMINO-3-BENZYL-[4.3.0]BICYCLO-1,6-DIAZANONAN-2-ONE (3 entities in total)
Functional Keywords	drug design, furanopyrimidine, molecular recognition, oncology, pyrrolopyrimidine, atp-binding, cell cycle, dna damage, kinase, nuclear protein, phosphorylation, polymorphism, serine/threonine-protein kinase, transferase
Biological source	HOMO SAPIENS (HUMAN)
Total number of polymer chains	1
Total formula weight	34478.53
Authors	Foloppe, N.,Fisher, L.M.,Howes, R.,Kierstan, P.,Potter, A.,Robertson, A.G.S.,Surgenor, A.E. (deposition date: 2005-05-09, release date: 2005-05-12, Last modification date: 2023-12-13)
Primary citation	Foloppe, N.,Fisher, L.M.,Howes, R.,Kierstan, P.,Potter, A.,Robertson, A.G.S.,Surgenor, A.E. Structure-Based Design of Novel Chk1 Inhibitors: Insights Into Hydrogen Bonding and Protein-Ligand Affinity. J.Med.Chem., 48:4332-, 2005 Cited by PubMed: 15974586 DOI: 10.1021/JM049022C PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.2 Å)

Structure validation