2bb9

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[[Image:2bb9.gif|left|200px]]<br /><applet load="2bb9" size="350" color="white" frame="true" align="right" spinBox="true"
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[[Image:2bb9.gif|left|200px]]
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caption="2bb9, resolution 1.35&Aring;" />
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'''Structure of HIV1 protease and AKC4p_133a complex.'''<br />
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{{Structure
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|PDB= 2bb9 |SIZE=350|CAPTION= <scene name='initialview01'>2bb9</scene>, resolution 1.35&Aring;
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|SITE=
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|LIGAND= <scene name='pdbligand=AKC:2-ETHOXYETHYL (1S,2S)-3-{(2S)-4-[(3AS,8S,8AR)-2-OXO-3,3A,8,8A-TETRAHYDRO-2H-INDENO[1,2-D][1,3]OXAZOL-8-YL]-2-BENZYL-3-OXO-2,3-DIHYDRO-1H-PYRROL-2-YL}-1-BENZYL-2-HYDROXYPROPYLCARBAMATE'>AKC</scene>
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|ACTIVITY= [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]
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|GENE= GAG ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=11676 Human immunodeficiency virus 1])
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}}
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'''Structure of HIV1 protease and AKC4p_133a complex.'''
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==Overview==
==Overview==
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==About this Structure==
==About this Structure==
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2BB9 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=AKC:'>AKC</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] Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2BB9 OCA].
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2BB9 is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Human_immunodeficiency_virus_1 Human immunodeficiency virus 1]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2BB9 OCA].
==Reference==
==Reference==
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Design, synthesis, and biological evaluation of monopyrrolinone-based HIV-1 protease inhibitors possessing augmented P2' side chains., Smith AB 3rd, Charnley AK, Harada H, Beiger JJ, Cantin LD, Kenesky CS, Hirschmann R, Munshi S, Olsen DB, Stahlhut MW, Schleif WA, Kuo LC, Bioorg Med Chem Lett. 2006 Feb 15;16(4):859-63. Epub 2005 Nov 18. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=16298527 16298527]
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Design, synthesis, and biological evaluation of monopyrrolinone-based HIV-1 protease inhibitors possessing augmented P2' side chains., Smith AB 3rd, Charnley AK, Harada H, Beiger JJ, Cantin LD, Kenesky CS, Hirschmann R, Munshi S, Olsen DB, Stahlhut MW, Schleif WA, Kuo LC, Bioorg Med Chem Lett. 2006 Feb 15;16(4):859-63. Epub 2005 Nov 18. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/16298527 16298527]
[[Category: HIV-1 retropepsin]]
[[Category: HIV-1 retropepsin]]
[[Category: Human immunodeficiency virus 1]]
[[Category: Human immunodeficiency virus 1]]
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[[Category: protease]]
[[Category: protease]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 16:35:56 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 15:59:39 2008''

Revision as of 13:59, 20 March 2008

Image:2bb9.gif


PDB ID 2bb9

Drag the structure with the mouse to rotate
, resolution 1.35Å
Ligands:
Gene: GAG (Human immunodeficiency virus 1)
Activity: HIV-1 retropepsin, with EC number 3.4.23.16
Coordinates: save as pdb, mmCIF, xml



Structure of HIV1 protease and AKC4p_133a complex.


Overview

A series of monopyrrolinone-based HIV-1 protease inhibitors possessing rationally designed P2' side chains have been synthesized and evaluated for activity against wild-type HIV-1 protease. The most potent inhibitor displays subnanomolar potency in vitro for the wild-type HIV-1 protease. Additionally, the monopyrrolinone inhibitors retain potency in cellular assays against clinically significant mutant forms of the virus. X-ray structures of these inhibitors bound in the wild-type enzyme reveal important insights into the observed biological activity.

About this Structure

2BB9 is a Single protein structure of sequence from Human immunodeficiency virus 1. Full crystallographic information is available from OCA.

Reference

Design, synthesis, and biological evaluation of monopyrrolinone-based HIV-1 protease inhibitors possessing augmented P2' side chains., Smith AB 3rd, Charnley AK, Harada H, Beiger JJ, Cantin LD, Kenesky CS, Hirschmann R, Munshi S, Olsen DB, Stahlhut MW, Schleif WA, Kuo LC, Bioorg Med Chem Lett. 2006 Feb 15;16(4):859-63. Epub 2005 Nov 18. PMID:16298527

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