PMID-sentid Pub_year Sent_text comp_official_name comp_offsetprotein_name organism prot_offset 17713901-2 2007 In the present paper, eight Molecular Dynamics (MD) simulations are carried out to examine the importance of structure and dynamics of water in the active site of both CDK2 and CDK5 complexes with roscovitine and indirubin analogues. indirubin 213-222 cyclin dependent kinase 5 Homo sapiens 177-181 14761195-3 2004 Using the cocrystal structures of various indirubins with GSK-3beta, CDK2 and CDK5/p25, we have modeled the binding of indirubins within the ATP-binding pocket of these kinases. indirubin 42-52 cyclin dependent kinase 5 Homo sapiens 78-82 15950951-10 2005 Kenpaullone and indirubin also prevented cdk5/p25 activation mediated by colchicine. indirubin 16-25 cyclin dependent kinase 5 Homo sapiens 41-45 35570516-11 2022 Docking studies of all the synthesized compounds were carried out using "structural mechanism for the inhibition of CDK5-p25 by roscovitine, aloisine and indirubin" (PDB ID: 1UNG), which showed favourable results with compound (Vb3), showing a MolDock Score of -85.9788 that was comparable to that of the active ligand (ALH_1288 (B)) with MolDock Score of - 87.7609. indirubin 154-163 cyclin dependent kinase 5 Homo sapiens 116-120