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{{STRUCTURE_3o99|  PDB=3o99  |  SCENE=  }}
===Crystal Structure of wild-type HIV-1 Protease in complex with kd13===
{{ABSTRACT_PUBMED_24012370}}


==About this Structure==
==Crystal Structure of wild-type HIV-1 Protease in complex with kd13==
[[3o99]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/9hiv1 9hiv1]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3O99 OCA].  
<StructureSection load='3o99' size='340' side='right'caption='[[3o99]], [[Resolution|resolution]] 1.95&Aring;' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[3o99]] 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=3O99 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3O99 FirstGlance]. <br>
</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 1.95&#8491;</td></tr>
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=K13:(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL+[(1S,2R)-3-{[(4-AMINOPHENYL)SULFONYL][(2S)-2-METHYLBUTYL]AMINO}-1-BENZYL-2-HYDROXYPROPYL]CARBAMATE'>K13</scene>, <scene name='pdbligand=PO4:PHOSPHATE+ION'>PO4</scene></td></tr>
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=3o99 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3o99 OCA], [https://pdbe.org/3o99 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3o99 RCSB], [https://www.ebi.ac.uk/pdbsum/3o99 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3o99 ProSAT]</span></td></tr>
</table>
== Function ==
[https://www.uniprot.org/uniprot/Q90K99_9HIV1 Q90K99_9HIV1]
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
The rapid evolution of HIV under selective drug pressure has led to multidrug resistant (MDR) strains that evade standard therapies. We designed highly potent HIV-1 protease inhibitors (PIs) using the substrate envelope model, which confines inhibitors within the consensus volume of natural substrates, providing inhibitors less susceptible to resistance because a mutation affecting such inhibitors will simultaneously affect viral substrate processing. The designed PIs share a common chemical scaffold but utilize various moieties that optimally fill the substrate envelope, as confirmed by crystal structures. The designed PIs retain robust binding to MDR protease variants and display exceptional antiviral potencies against different clades of HIV as well as a panel of 12 drug-resistant viral strains. The substrate envelope model proves to be a powerful strategy to develop potent and robust inhibitors that avoid drug resistance.


==See Also==
Substrate envelope-designed potent HIV-1 protease inhibitors to avoid drug resistance.,Nalam MN, Ali A, Reddy GS, Cao H, Anjum SG, Altman MD, Yilmaz NK, Tidor B, Rana TM, Schiffer CA Chem Biol. 2013 Sep 19;20(9):1116-24. doi: 10.1016/j.chembiol.2013.07.014. Epub, 2013 Sep 5. PMID:24012370<ref>PMID:24012370</ref>
*[[Virus protease|Virus protease]]


==Reference==
From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
<ref group="xtra">PMID:024012370</ref><references group="xtra"/><references/>
</div>
[[Category: 9hiv1]]
<div class="pdbe-citations 3o99" style="background-color:#fffaf0;"></div>
[[Category: Nalam, M N.L.]]
== References ==
[[Category: Schiffer, C A.]]
<references/>
[[Category: Aid]]
__TOC__
[[Category: Aspartyl protease]]
</StructureSection>
[[Category: Drug design]]
[[Category: Human immunodeficiency virus 1]]
[[Category: Drug resistance]]
[[Category: Large Structures]]
[[Category: Hiv-1 protease]]
[[Category: Nalam MNL]]
[[Category: Hydrolase-hydrolase inhibitor complex]]
[[Category: Schiffer CA]]
[[Category: Protease inhibitor]]
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