2bbb: Difference between revisions

Revision as of 20:04, 3 May 2008

Structure of HIV1 protease and hh1_173_3a complex.

OverviewOverview

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 StructureAbout this Structure

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

ReferenceReference

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 Page seeded by OCA on Sat May 3 20:04:05 2008

Proteopedia Page Contributors and Editors (what is this?)Proteopedia Page Contributors and Editors (what is this?)

OCA

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 [[Image:2bbb.gif|left|200px]]
- {{Structure
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+The line below this paragraph, containing "STRUCTURE_2bbb", creates the "Structure Box" on the page.
-|SITE=
+You may change the PDB parameter (which sets the PDB file loaded into the applet)
-|LIGAND= <scene name='pdbligand=HH1:(3S)-TETRAHYDROFURAN-3-YL+(1R)-3-{(2R)-4-[(1S,3S)-3-(2-AMINO-2-OXOETHYL)-2,3-DIHYDRO-1H-INDEN-1-YL]-2-BENZYL-3-OXO-2,3-DIHYDRO-1H-PYRROL-2-YL}-1-BENZYL-2-HYDROXYPROPYLCARBAMATE'>HH1</scene>
+or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
-|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>
+or leave the SCENE parameter empty for the default display.
-|GENE= GAG ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=11676 Human immunodeficiency virus 1])
+-->
-|DOMAIN=
+{{STRUCTURE_2bbb|  PDB=2bbb  |  SCENE=  }}
-|RELATEDENTRY=
-|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2bbb FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2bbb OCA], [http://www.ebi.ac.uk/pdbsum/2bbb PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=2bbb RCSB]</span>
-}}
 '''Structure of HIV1 protease and hh1_173_3a complex.'''
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 [[Category: Kuo, L C.]]
 [[Category: Munshi, S.]]
-[[Category: hydrolase]]
+[[Category: Hydrolase]]
-[[Category: protease]]
+[[Category: Protease]]
+''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sat May  3 20:04:05 2008''
-''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 02:03:49 2008''