2cem: Difference between revisions
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[[Image:2cem.gif|left|200px]]<br /><applet load="2cem" size=" | [[Image:2cem.gif|left|200px]]<br /><applet load="2cem" size="350" color="white" frame="true" align="right" spinBox="true" | ||
caption="2cem, resolution 1.8Å" /> | caption="2cem, resolution 1.8Å" /> | ||
'''P1' EXTENDED HIV-1 PROTEASE INHIBITORS ENCOMPASSING A TERTIARY ALCOHOL IN THE TRANSITION-STATE MIMICKING SCAFFOLD'''<br /> | '''P1' EXTENDED HIV-1 PROTEASE INHIBITORS ENCOMPASSING A TERTIARY ALCOHOL IN THE TRANSITION-STATE MIMICKING SCAFFOLD'''<br /> | ||
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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/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] Known structural/functional Site: <scene name='pdbsite=AC1:2ah Binding Site For Chain B'>AC1</scene>. Full crystallographic information is available from [http:// | 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 <scene name='pdbligand=2AH:'>2AH</scene> 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] Known structural/functional Site: <scene name='pdbsite=AC1:2ah+Binding+Site+For+Chain+B'>AC1</scene>. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2CEM OCA]. | ||
==Reference== | ==Reference== | ||
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[[Category: protease]] | [[Category: protease]] | ||
''Page seeded by [http:// | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun Feb 3 10:34:25 2008'' | ||
Revision as of 11:34, 3 February 2008
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P1' EXTENDED HIV-1 PROTEASE INHIBITORS ENCOMPASSING A TERTIARY ALCOHOL IN THE TRANSITION-STATE MIMICKING SCAFFOLD
OverviewOverview
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 StructureAbout this Structure
2CEM is a Single protein structure of sequence from Human immunodeficiency virus 1 with as ligand. Active as HIV-1 retropepsin, with EC number 3.4.23.16 Known structural/functional Site: . Full crystallographic information is available from OCA.
ReferenceReference
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
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