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2by4

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(New page: 200px<br /> <applet load="2by4" size="450" color="white" frame="true" align="right" spinBox="true" caption="2by4, resolution 3.30&Aring;" /> '''SR CA(2+)-ATPASE IN...)
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Revision as of 17:59, 29 October 2007

Image:2by4.gif

2by4, resolution 3.30Å

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SR CA(2+)-ATPASE IN THE HNE2 STATE COMPLEXED WITH THE THAPSIGARGIN DERIVATIVE BOC-12ADT.

Overview

An analysis of the binding of the, 8-O-N-tert-butoxycarbonyl-12-aminododecanoyl derivative of, 8-O-debutanoylthapsigargin to the target molecule, the SERCA pump, has, revealed the importance of the length and flexibility of the side chain, attached to O-8. Based on the analysis a series of analogues to the, 2-unsubstituted analogue trilobolide has been constructed and shown to be, equipotent with thapsigargin as SERCA inhibitors. Only the, 12-Boc-aminododecaonoyl derivative, however, was found to be apoptotic.

About this Structure

2BY4 is a [Single protein] structure of sequence from [Oryctolagus cuniculus] with MG, NA, AD4 and ACP as [ligands]. Active as [[1]], with EC number [3.6.3.8]. Full crystallographic information is available from [OCA].

Reference

Natural products as starting materials for development of second-generation SERCA inhibitors targeted towards prostate cancer cells., Sohoel H, Jensen AM, Moller JV, Nissen P, Denmeade SR, Isaacs JT, Olsen CE, Christensen SB, Bioorg Med Chem. 2006 Apr 15;14(8):2810-5. Epub 2006 Jan 10. PMID:16412648

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