PDBsum entry 1p2a

Transferase

PDB id: 1p2a

Contents

Protein chain

271 a.a. *

Ligands

5BN

Waters ×65

* Residue conservation analysis

References listed in PDB file

Key reference

• Title: 3,5,6-Trisubstituted naphthostyrils as cdk2 inhibitors.
• Authors: J.J.Liu, A.Dermatakis, C.Lukacs, F.Konzelmann, Y.Chen, U.Kammlott, W.Depinto, H.Yang, X.Yin, Y.Chen, A.Schutt, M.E.Simcox, K.C.Luk.
• Ref.: Bioorg Med Chem Lett, 2003, 13, 2465-2468. [DOI no: 10.1016/S0960-894X(03)00488-8]
• PubMed id: 12852944

Abstract

A novel class of 3,5,6-trisubstituted naphthostyril analogues was designed and synthesized to study the structure-activity relationship for inhibition of cyclin-dependent kinase 2 (CDK2). These compounds, particularly molecules with side-chain modifications providing additional hydrogen bonding capability, were demonstrated to be potent CDK2 inhibitors with cellular activities consistent with CDK2 inhibition. These molecules inhibited tumor cell proliferation and G1-S and G2-M cell-cycle progression in vitro. The X-ray crystal structure of a 2-aminoethyleneamine derivative bound to CDK2, refined to 2.5A resolution, is presented.