4ydf: Difference between revisions
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New page: '''Unreleased structure''' The entry 4ydf is ON HOLD until Paper Publication Authors: Kuhnert, M., Blum, A., Steuber, H., Diederich, W.E. Description: Crystal structure of compound 9 i... |
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==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=''> | |||
== Structural highlights == | |||
<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='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'>[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> | |||
== Function == | |||
[https://www.uniprot.org/uniprot/Q82134_9DELA Q82134_9DELA] | |||
<div style="background-color:#fffaf0;"> | |||
== Publication Abstract from PubMed == | |||
3,4-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<ref>PMID:26000468</ref> | |||
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |||
[[Category: | </div> | ||
[[Category: | <div class="pdbe-citations 4ydf" style="background-color:#fffaf0;"></div> | ||
[[Category: Blum | |||
[[Category: Kuhnert | ==See Also== | ||
[[Category: | *[[Virus protease 3D structures|Virus protease 3D structures]] | ||
== References == | |||
<references/> | |||
__TOC__ | |||
</StructureSection> | |||
[[Category: Human T-cell leukemia virus type I]] | |||
[[Category: Large Structures]] | |||
[[Category: Blum A]] | |||
[[Category: Diederich WE]] | |||
[[Category: Kuhnert M]] | |||
[[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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