2pe0

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(New page: 200px<br /> <applet load="2pe0" size="450" color="white" frame="true" align="right" spinBox="true" caption="2pe0, resolution 2.35&Aring;" /> '''CRYSTAL STRUCTURE O...)
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Revision as of 21:15, 12 November 2007

Image:2pe0.gif

2pe0, resolution 2.35Å

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CRYSTAL STRUCTURE OF HUMAN PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE 1 (PDK1) 5-Hydroxy-3-[1-(1H-pyrrol-2-yl)-eth-(Z)-ylidene]-1,3-dihydro-indol-2-one COMPLEX

Overview

HTS screening identified 1 with micromolar inhibitory activity against, PDK1. Optimization of 1 afforded 4i (BX-517) which has single-digit, nanomolar activity against PDK1 and excellent selectivity against PKA.

About this Structure

2PE0 is a Single protein structure of sequence from Homo sapiens with SO4, 39Z and GOL as ligands. Active as Non-specific serine/threonine protein kinase, with EC number 2.7.11.1 Full crystallographic information is available from OCA.

Reference

Indolinone based phosphoinositide-dependent kinase-1 (PDK1) inhibitors. Part 1: Design, synthesis and biological activity., Islam I, Bryant J, Chou YL, Kochanny MJ, Lee W, Phillips GB, Yu H, Adler M, Whitlow M, Ho E, Lentz D, Polokoff MA, Subramanyam B, Wu JM, Zhu D, Feldman RI, Arnaiz DO, Bioorg Med Chem Lett. 2007 Apr 27;. PMID:17531483

Page seeded by OCA on Mon Nov 12 23:22:22 2007

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