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3wsj
From Proteopedia
(Difference between revisions)
(New page: '''Unreleased structure''' The entry 3wsj is ON HOLD Authors: Kuhnert, M., Steuber, H., Diederich, W.E. Description: Aspartic protease in complex with HIV-1 protease inhibitor) |
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| - | '''Unreleased structure''' | ||
| - | + | ==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]] | ||
Current revision
HTLV-1 protease in complex with the HIV-1 protease inhibitor Indinavir
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