2bqv
From Proteopedia
(New page: 200px<br /> <applet load="2bqv" size="450" color="white" frame="true" align="right" spinBox="true" caption="2bqv, resolution 2.1Å" /> '''HIV-1 PROTEASE IN CO...) |
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==About this Structure== | ==About this Structure== | ||
| - | 2BQV is a [[http://en.wikipedia.org/wiki/Single_protein Single protein]] structure of sequence from [[http://en.wikipedia.org/wiki/Human_immunodeficiency_virus_1 Human immunodeficiency virus 1]] with A1A as [[http://en.wikipedia.org/wiki/ligand ligand]]. Active as [[http://en.wikipedia.org/wiki/ ]], with EC number [[http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.23.16 3.4.23.16]]. Full crystallographic information is available from [[http://ispc.weizmann.ac.il/oca-bin/ocashort?id=2BQV OCA]]. | + | 2BQV is a [[http://en.wikipedia.org/wiki/Single_protein Single protein]] structure of sequence from [[http://en.wikipedia.org/wiki/Human_immunodeficiency_virus_1 Human immunodeficiency virus 1]] with A1A as [[http://en.wikipedia.org/wiki/ligand ligand]]. Active as [[http://en.wikipedia.org/wiki/HIV-1_retropepsin HIV-1 retropepsin]], with EC number [[http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.23.16 3.4.23.16]]. Structure known Active Site: AC1. Full crystallographic information is available from [[http://ispc.weizmann.ac.il/oca-bin/ocashort?id=2BQV OCA]]. |
==Reference== | ==Reference== | ||
A new class of HIV-1 protease inhibitors containing a tertiary alcohol in the transition-state mimicking scaffold., Ekegren JK, Unge T, Safa MZ, Wallberg H, Samuelsson B, Hallberg A, J Med Chem. 2005 Dec 15;48(25):8098-102. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=16335934 16335934] | A new class of HIV-1 protease inhibitors containing a tertiary alcohol in the transition-state mimicking scaffold., Ekegren JK, Unge T, Safa MZ, Wallberg H, Samuelsson B, Hallberg A, J Med Chem. 2005 Dec 15;48(25):8098-102. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=16335934 16335934] | ||
| + | [[Category: HIV-1 retropepsin]] | ||
[[Category: Human immunodeficiency virus 1]] | [[Category: Human immunodeficiency virus 1]] | ||
[[Category: Single protein]] | [[Category: Single protein]] | ||
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[[Category: inhibitor]] | [[Category: inhibitor]] | ||
| - | ''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on | + | ''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Tue Oct 30 12:59:01 2007'' |
Revision as of 10:54, 30 October 2007
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HIV-1 PROTEASE IN COMPLEX WITH INHIBITOR AHA455
Overview
Novel HIV-1 protease inhibitors encompassing a tertiary alcohol as part of, the transition-state mimicking unit have been synthesized. Variation of, the P1'-P3' residues and alteration of the tertiary alcohol absolute, stereochemistry afforded 10 inhibitors. High potencies for the compounds, with (S)-configuration at the carbon carrying the tertiary hydroxyl group, were achieved with Ki values down to 2.4 nM. X-ray crystallographic data, for a representative compound in complex with HIV-1 protease are, presented.
About this Structure
2BQV is a [Single protein] structure of sequence from [Human immunodeficiency virus 1] with A1A as [ligand]. Active as [HIV-1 retropepsin], with EC number [3.4.23.16]. Structure known Active Site: AC1. Full crystallographic information is available from [OCA].
Reference
A new class of HIV-1 protease inhibitors containing a tertiary alcohol in the transition-state mimicking scaffold., Ekegren JK, Unge T, Safa MZ, Wallberg H, Samuelsson B, Hallberg A, J Med Chem. 2005 Dec 15;48(25):8098-102. PMID:16335934
Page seeded by OCA on Tue Oct 30 12:59:01 2007
