2bqv
From Proteopedia
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| - | [[Image:2bqv.gif|left|200px]]<br /> | + | [[Image:2bqv.gif|left|200px]]<br /><applet load="2bqv" size="450" color="white" frame="true" align="right" spinBox="true" |
| - | <applet load="2bqv" size="450" color="white" frame="true" align="right" spinBox="true" | + | |
caption="2bqv, resolution 2.1Å" /> | caption="2bqv, resolution 2.1Å" /> | ||
'''HIV-1 PROTEASE IN COMPLEX WITH INHIBITOR AHA455'''<br /> | '''HIV-1 PROTEASE IN COMPLEX WITH INHIBITOR AHA455'''<br /> | ||
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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/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] | + | 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] Known structural/functional Site: <scene name='pdbsite=AC1:A1a Binding Site For Chain A'>AC1</scene>. Full crystallographic information is available from [http://ispc.weizmann.ac.il/oca-bin/ocashort?id=2BQV OCA]. |
==Reference== | ==Reference== | ||
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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 Dec 18 18:55:38 2007'' |
Revision as of 16:45, 18 December 2007
|
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 Known structural/functional Site: . 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
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