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2bqv

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[[Image:2bqv.gif|left|200px]]
[[Image:2bqv.gif|left|200px]]
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{{Structure
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<!--
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|PDB= 2bqv |SIZE=350|CAPTION= <scene name='initialview01'>2bqv</scene>, resolution 2.1&Aring;
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The line below this paragraph, containing "STRUCTURE_2bqv", creates the "Structure Box" on the page.
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|SITE= <scene name='pdbsite=AC1:A1a+Binding+Site+For+Chain+A'>AC1</scene>
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You may change the PDB parameter (which sets the PDB file loaded into the applet)
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|LIGAND= <scene name='pdbligand=A1A:6-AMINO+HEXANOIC+ACID'>A1A</scene>
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or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
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|ACTIVITY= <span class='plainlinks'>[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] </span>
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or leave the SCENE parameter empty for the default display.
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|GENE=
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-->
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|DOMAIN=
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{{STRUCTURE_2bqv| PDB=2bqv | SCENE= }}
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|RELATEDENTRY=
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|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2bqv FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2bqv OCA], [http://www.ebi.ac.uk/pdbsum/2bqv PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=2bqv RCSB]</span>
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}}
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'''HIV-1 PROTEASE IN COMPLEX WITH INHIBITOR AHA455'''
'''HIV-1 PROTEASE IN COMPLEX WITH INHIBITOR AHA455'''
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[[Category: Unge, T.]]
[[Category: Unge, T.]]
[[Category: Wallberg, H.]]
[[Category: Wallberg, H.]]
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[[Category: drug design]]
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[[Category: Drug design]]
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[[Category: hiv-1 protease]]
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[[Category: Hiv-1 protease]]
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[[Category: hydrolase complex]]
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[[Category: Hydrolase complex]]
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[[Category: inhibitor]]
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[[Category: Inhibitor]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sat May 3 20:39:59 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 02:10:20 2008''
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Revision as of 17:39, 3 May 2008

Image:2bqv.gif

Template:STRUCTURE 2bqv

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. 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 Sat May 3 20:39:59 2008

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