3wsj: Difference between revisions
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==HTLV-1 protease in complex with the HIV-1 protease inhibitor Indinavir== | |||
<StructureSection load='3wsj' size='340' side='right'caption='[[3wsj]], [[Resolution|resolution]] 2.40Å' scene=''> | |||
== Structural highlights == | |||
<table><tr><td colspan='2'>[[3wsj]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Human_T-cell_leukemia_virus_type_I Human T-cell leukemia virus type I]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3WSJ OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3WSJ 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]] 2.404Å</td></tr> | |||
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=MK1:N-[2(R)-HYDROXY-1(S)-INDANYL]-5-[(2(S)-TERTIARY+BUTYLAMINOCARBONYL)-4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE'>MK1</scene>, <scene name='pdbligand=PG4:TETRAETHYLENE+GLYCOL'>PG4</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</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=3wsj FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3wsj OCA], [https://pdbe.org/3wsj PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3wsj RCSB], [https://www.ebi.ac.uk/pdbsum/3wsj PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3wsj ProSAT]</span></td></tr> | |||
</table> | |||
== Function == | |||
[https://www.uniprot.org/uniprot/Q82134_9DELA Q82134_9DELA] | |||
<div style="background-color:#fffaf0;"> | |||
== Publication Abstract from PubMed == | |||
HTLV-1 protease (HTLV-1 PR) is an aspartic protease which represents a promising drug target for the discovery of novel anti-HTLV-1 drugs. The X-ray structure of HTLV-1 PR in complex with the well-known and approved HIV-1 PR inhibitor Indinavir was determined at 2.40 A resolution. In this contribution, we describe the first crystal structure in complex with a nonpeptidic inhibitor that accounts for rationalizing the rather moderate affinity of Indinavir against HTLV-1 PR and provides the basis for further structure-guided optimization strategies. | |||
Structural basis for HTLV-1 protease inhibition by the HIV-1 protease inhibitor indinavir.,Kuhnert M, Steuber H, Diederich WE J Med Chem. 2014 Jul 24;57(14):6266-72. doi: 10.1021/jm500402c. Epub 2014 Jul 9. PMID:25006983<ref>PMID:25006983</ref> | |||
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |||
</div> | |||
<div class="pdbe-citations 3wsj" style="background-color:#fffaf0;"></div> | |||
==See Also== | |||
*[[Virus protease 3D structures|Virus protease 3D structures]] | |||
== References == | |||
<references/> | |||
__TOC__ | |||
</StructureSection> | |||
[[Category: Human T-cell leukemia virus type I]] | |||
[[Category: Large Structures]] | |||
[[Category: Diederich WE]] | |||
[[Category: Kuhnert M]] | |||
[[Category: Steuber H]] | |||
