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: 15974586DOI: 10.1021/JM049022C PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.2 Å) |
Structure validation
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