4ydf: Difference between revisions
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==Crystal structure of compound 9 in complex with HTLV-1 Protease== | ==Crystal structure of compound 9 in complex with HTLV-1 Protease== | ||
<StructureSection load='4ydf' size='340' side='right' caption='[[4ydf]], [[Resolution|resolution]] 2.80Å' scene=''> | <StructureSection load='4ydf' size='340' side='right'caption='[[4ydf]], [[Resolution|resolution]] 2.80Å' scene=''> | ||
== Structural highlights == | == Structural highlights == | ||
<table><tr><td colspan='2'>[[4ydf]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4YDF OCA]. For a <b>guided tour on the structure components</b> use [ | <table><tr><td colspan='2'>[[4ydf]] 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=4YDF OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4YDF FirstGlance]. <br> | ||
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=4B1:N-BENZYL-N-[(3S,4S)-4-{BENZYL[(4-NITROPHENYL)SULFONYL]AMINO}PYRROLIDIN-3-YL]-3-NITROBENZENESULFONAMIDE'>4B1</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene> | </td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.804Å</td></tr> | ||
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=4B1:N-BENZYL-N-[(3S,4S)-4-{BENZYL[(4-NITROPHENYL)SULFONYL]AMINO}PYRROLIDIN-3-YL]-3-NITROBENZENESULFONAMIDE'>4B1</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'>[ | <tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=4ydf FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4ydf OCA], [https://pdbe.org/4ydf PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4ydf RCSB], [https://www.ebi.ac.uk/pdbsum/4ydf PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4ydf ProSAT]</span></td></tr> | ||
</table> | </table> | ||
== Function == | |||
[https://www.uniprot.org/uniprot/Q82134_9DELA Q82134_9DELA] | |||
<div style="background-color:#fffaf0;"> | <div style="background-color:#fffaf0;"> | ||
== Publication Abstract from PubMed == | == Publication Abstract from PubMed == | ||
| Line 16: | Line 19: | ||
</div> | </div> | ||
<div class="pdbe-citations 4ydf" style="background-color:#fffaf0;"></div> | <div class="pdbe-citations 4ydf" style="background-color:#fffaf0;"></div> | ||
==See Also== | |||
*[[Virus protease 3D structures|Virus protease 3D structures]] | |||
== References == | == References == | ||
<references/> | <references/> | ||
__TOC__ | __TOC__ | ||
</StructureSection> | </StructureSection> | ||
[[Category: | [[Category: Human T-cell leukemia virus type I]] | ||
[[Category: | [[Category: Large Structures]] | ||
[[Category: | [[Category: Blum A]] | ||
[[Category: | [[Category: Diederich WE]] | ||
[[Category: | [[Category: Kuhnert M]] | ||
[[Category: | [[Category: Steuber H]] | ||
Latest revision as of 13:54, 10 January 2024
Crystal structure of compound 9 in complex with HTLV-1 ProteaseCrystal structure of compound 9 in complex with HTLV-1 Protease
Structural highlights
FunctionPublication Abstract from PubMed3,4-disubstituted pyrrolidines originally designed to inhibit the closely related HIV-1 protease were evaluated as privileged structures against HTLV-1 protease (HTLV-1 PR). The most potent inhibitor of this series exhibits two-digit nanomolar affinity and represents, to the best of our knowledge, the most potent nonpeptidic inhibitor of HTLV-1 PR described so far. The X-ray structures of two representatives bound to HTLV-1 PR were determined, and the structural basis of their affinity is discussed. Privileged Structures Meet Human T-Cell Leukemia Virus-1 (HTLV-1): C2-Symmetric 3,4-Disubstituted Pyrrolidines as Nonpeptidic HTLV-1 Protease Inhibitors.,Kuhnert M, Blum A, Steuber H, Diederich WE J Med Chem. 2015 Jun 11;58(11):4845-50. doi: 10.1021/acs.jmedchem.5b00346. Epub, 2015 May 22. PMID:26000468[1] From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine. See AlsoReferences
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