Discovery of a potent CDK2 inhibitor with a novel binding mode, using virtual screening and initial, structure-guided lead scoping
Virtual screening against a pCDK2/cyclin A crystal structure led to the identification of a potent and novel CDK2 inhibitor, which exhibited an unusual mode of interaction with the kinase binding motif. With the aid of X-ray crystallography and modelling,
Richardson, Christine M.,Nunns, Claire L.,Williamson, Douglas S.,Parratt, Martin J.,Dokurno, Pawel,Howes, Rob,Borgognoni, Jenifer,Drysdale, Martin J.,Finch, Harry,Hubbard, Roderick E.,Jackson, Philip S.,Kierstan, Peter,Lentzen, Georg,Moore, Jonathan D.,Murray, James B.,Simmonite, Heather,Surgenor, Allan E.,Torrance, Christopher J.
p. 3880 - 3885
(2008/02/08)
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