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2a4f

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[[Image:2a4f.gif|left|200px]]
 
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{{Structure
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==Synthesis and Activity of N-Axyl Azacyclic Urea HIV-1 Protease Inhibitors with High Potency Against Multiple Drug Resistant Viral Strains.==
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|PDB= 2a4f |SIZE=350|CAPTION= <scene name='initialview01'>2a4f</scene>, resolution 1.90&Aring;
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<StructureSection load='2a4f' size='340' side='right'caption='[[2a4f]], [[Resolution|resolution]] 1.90&Aring;' scene=''>
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|SITE=
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== Structural highlights ==
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|LIGAND= <scene name='pdbligand=AAU:(5R,6R)-5-BENZYL-6-HYDROXY-2,4-BIS(4-HYDROXY-3-METHOXYBENZYL)-1-[3-(4-HYDROXYPHENYL)PROPANOYL]-1,2,4-TRIAZEPAN-3-ONE'>AAU</scene>
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<table><tr><td colspan='2'>[[2a4f]] is a 2 chain structure with sequence from [https://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=2A4F OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2A4F FirstGlance]. <br>
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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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</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 1.9&#8491;</td></tr>
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|GENE= POL ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=11676 Human immunodeficiency virus 1])
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<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=AAU:(5R,6R)-5-BENZYL-6-HYDROXY-2,4-BIS(4-HYDROXY-3-METHOXYBENZYL)-1-[3-(4-HYDROXYPHENYL)PROPANOYL]-1,2,4-TRIAZEPAN-3-ONE'>AAU</scene></td></tr>
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|DOMAIN=
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<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=2a4f FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2a4f OCA], [https://pdbe.org/2a4f PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2a4f RCSB], [https://www.ebi.ac.uk/pdbsum/2a4f PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2a4f ProSAT]</span></td></tr>
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|RELATEDENTRY=[[1yt9|1YT9]]
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</table>
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|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2a4f FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2a4f OCA], [http://www.ebi.ac.uk/pdbsum/2a4f PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=2a4f RCSB]</span>
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== Function ==
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}}
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[https://www.uniprot.org/uniprot/Q9Q2G8_9HIV1 Q9Q2G8_9HIV1]
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== Evolutionary Conservation ==
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[[Image:Consurf_key_small.gif|200px|right]]
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Check<jmol>
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<jmolCheckbox>
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<scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/a4/2a4f_consurf.spt"</scriptWhenChecked>
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<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
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<text>to colour the structure by Evolutionary Conservation</text>
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</jmolCheckbox>
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</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/main_output.php?pdb_ID=2a4f ConSurf].
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<div style="clear:both"></div>
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'''Synthesis and Activity of N-Axyl Azacyclic Urea HIV-1 Protease Inhibitors with High Potency Against Multiple Drug Resistant Viral Strains.'''
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==See Also==
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*[[Immunodeficiency virus protease 3D structures|Immunodeficiency virus protease 3D structures]]
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__TOC__
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==Overview==
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</StructureSection>
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As part of our efforts to identify potent HIV-1 protease inhibitors that are active against resistant viral strains, structural modification of the azacyclic urea (I) was undertaken by incorporating acyl groups as P(1)' ligands. The extensive SAR study has yielded a series of N-acyl azacyclic ureas (II), which are highly potent against both wild-type and multiple PI-resistant viral strains.
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==About this Structure==
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2A4F 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=2A4F OCA].
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==Reference==
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Synthesis and activity of N-acyl azacyclic urea HIV-1 protease inhibitors with high potency against multiple drug resistant viral strains., Zhao C, Sham HL, Sun M, Stoll VS, Stewart KD, Lin S, Mo H, Vasavanonda S, Saldivar A, Park C, McDonald EJ, Marsh KC, Klein LL, Kempf DJ, Norbeck DW, Bioorg Med Chem Lett. 2005 Dec 15;15(24):5499-503. Epub 2005 Oct 3. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/16203141 16203141]
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[[Category: HIV-1 retropepsin]]
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[[Category: Human immunodeficiency virus 1]]
[[Category: Human immunodeficiency virus 1]]
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[[Category: Single protein]]
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[[Category: Large Structures]]
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[[Category: Lin, S.]]
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[[Category: Lin S]]
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[[Category: McDonald, E.]]
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[[Category: McDonald E]]
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[[Category: Mo, H.]]
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[[Category: Mo H]]
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[[Category: Saldivar, A.]]
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[[Category: Saldivar A]]
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[[Category: Sham, H.]]
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[[Category: Sham H]]
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[[Category: Stewart, K D.]]
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[[Category: Stewart KD]]
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[[Category: Stoll, V.]]
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[[Category: Stoll V]]
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[[Category: Sun, M.]]
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[[Category: Sun M]]
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[[Category: Vasavanonda, S.]]
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[[Category: Vasavanonda S]]
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[[Category: Zhao, C.]]
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[[Category: Zhao C]]
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[[Category: aza-cyclic urea]]
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[[Category: hiv protease]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 01:47:45 2008''
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Current revision

Synthesis and Activity of N-Axyl Azacyclic Urea HIV-1 Protease Inhibitors with High Potency Against Multiple Drug Resistant Viral Strains.

PDB ID 2a4f

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