2cem
From Proteopedia
(New page: 200px<br /> <applet load="2cem" size="450" color="white" frame="true" align="right" spinBox="true" caption="2cem, resolution 1.8Å" /> '''P1' EXTENDED HIV-1 P...) |
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==About this Structure== | ==About this Structure== | ||
| - | 2CEM 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 2AH 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=2CEM OCA]]. | + | 2CEM 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 2AH 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=2CEM OCA]]. |
==Reference== | ==Reference== | ||
Microwave-accelerated synthesis of P1'-extended HIV-1 protease inhibitors encompassing a tertiary alcohol in the transition-state mimicking scaffold., Ekegren JK, Ginman N, Johansson A, Wallberg H, Larhed M, Samuelsson B, Unge T, Hallberg A, J Med Chem. 2006 Mar 9;49(5):1828-32. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=16509598 16509598] | Microwave-accelerated synthesis of P1'-extended HIV-1 protease inhibitors encompassing a tertiary alcohol in the transition-state mimicking scaffold., Ekegren JK, Ginman N, Johansson A, Wallberg H, Larhed M, Samuelsson B, Unge T, Hallberg A, J Med Chem. 2006 Mar 9;49(5):1828-32. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=16509598 16509598] | ||
| + | [[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: protease]] | [[Category: protease]] | ||
| - | ''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 13:38:28 2007'' |
Revision as of 11:33, 30 October 2007
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P1' EXTENDED HIV-1 PROTEASE INHIBITORS ENCOMPASSING A TERTIARY ALCOHOL IN THE TRANSITION-STATE MIMICKING SCAFFOLD
Overview
Two series of P1'-extended HIV-1 protease inhibitors comprising a tertiary, alcohol in the transition-state mimic exhibiting Ki values ranging from, 2.1 to 93 nM have been synthesized. Microwave-accelerated, palladium-catalyzed cross-couplings were utilized to rapidly optimize the, P1' side chain. High cellular antiviral potencies were encountered when, the P1' benzyl group was elongated with a 3- or 4-pyridyl substituent, (EC50 = 0.18-0.22 microM). X-ray crystallographic data were obtained for, three inhibitors cocrystallized with the enzyme.
About this Structure
2CEM is a [Single protein] structure of sequence from [Human immunodeficiency virus 1] with 2AH 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
Microwave-accelerated synthesis of P1'-extended HIV-1 protease inhibitors encompassing a tertiary alcohol in the transition-state mimicking scaffold., Ekegren JK, Ginman N, Johansson A, Wallberg H, Larhed M, Samuelsson B, Unge T, Hallberg A, J Med Chem. 2006 Mar 9;49(5):1828-32. PMID:16509598
Page seeded by OCA on Tue Oct 30 13:38:28 2007
