2v0z

From Proteopedia

Revision as of 15:37, 30 October 2007

CRYSTAL STRUCTURE OF RENIN WITH INHIBITOR 10 (ALISKIREN)

Overview

BACKGROUND: The aspartic proteinase renin plays an important physiological, role in the regulation of blood pressure. It catalyses the first step in, the conversion of angiotensinogen to the hormone angiotensin II. In the, past, potent peptide inhibitors of renin have been developed, but none of, these compounds has made it to the end of clinical trials. Our primary aim, was to develop novel nonpeptide inhibitors. Based on the available, structural information concerning renin-substrate interactions, we, synthesized inhibitors in which the peptide portion was replaced by, lipophilic moieties that interact with the large hydrophobic S1/S3-binding, pocket in renin. RESULTS: Crystal structure analysis of renin-inhibitor, complexes combined with computational methods were employed in the, ... [(full description)]

About this Structure

2V0Z is a [Single protein] structure of sequence from [Homo sapiens] with NDG and C41 as [ligands]. Active as [Renin], with EC number [3.4.23.15]. Structure known Active Site: AC1. Full crystallographic information is available from [OCA].

Reference

Structure-based drug design: the discovery of novel nonpeptide orally active inhibitors of human renin., Rahuel J, Rasetti V, Maibaum J, Rueger H, Goschke R, Cohen NC, Stutz S, Cumin F, Fuhrer W, Wood JM, Grutter MG, Chem Biol. 2000 Jul;7(7):493-504. PMID:10903938

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