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. Author manuscript; available in PMC: 2011 May 28.
Published in final edited form as: Cancer Lett. 2009 Nov 11;291(2):217–224. doi: 10.1016/j.canlet.2009.10.015

Fig. 1.

Fig. 1

Fig. 1

Identification of a structural pocket near serine 276 of p65 and interacting molecules identified by high-throughput in silico screening. (A) The crystal structure of p65 from a p65-p50 heterodimer bound to the Ig/HIV-κB DNA element (RCSB Protein Data Bank code: 1LE9) is displayed with serine 276 highlighted in red. NSC-127102 docked into the structural pocket near serine 276 is shown. (B) The structures of six of the top lead compounds identified by in silico docking are ranked according to their energy scores. Van der Waals (Vdw) and electrostatic (ES) scores are also displayed along with the molecular formulas and molecular weights of these compounds.