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2by4

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==About this Structure==
==About this Structure==
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2BY4 is a [[http://en.wikipedia.org/wiki/Single_protein Single protein]] structure of sequence from [[http://en.wikipedia.org/wiki/Oryctolagus_cuniculus Oryctolagus cuniculus]] with MG, NA, AD4 and ACP as [[http://en.wikipedia.org/wiki/ligands ligands]]. Active as [[http://en.wikipedia.org/wiki/Calcium-transporting_ATPase Calcium-transporting ATPase]], with EC number [[http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.6.3.8 3.6.3.8]]. Structure known Active Site: AC1. Full crystallographic information is available from [[http://ispc.weizmann.ac.il/oca-bin/ocashort?id=2BY4 OCA]].
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2BY4 is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Oryctolagus_cuniculus Oryctolagus cuniculus] with MG, NA, AD4 and ACP as [http://en.wikipedia.org/wiki/ligands ligands]. Active as [http://en.wikipedia.org/wiki/Calcium-transporting_ATPase Calcium-transporting ATPase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.6.3.8 3.6.3.8] Structure known Active Site: AC1. Full crystallographic information is available from [http://ispc.weizmann.ac.il/oca-bin/ocashort?id=2BY4 OCA].
==Reference==
==Reference==
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[[Category: transport]]
[[Category: transport]]
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''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Tue Oct 30 16:51:50 2007''
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''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Mon Nov 5 14:24:12 2007''

Revision as of 12:18, 5 November 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 Calcium-transporting ATPase, with EC number 3.6.3.8 Structure known Active Site: AC1. 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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