4ydf: Difference between revisions

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-'''Unreleased structure'''
+==Crystal structure of compound 9 in complex with HTLV-1 Protease==
+<StructureSection load='4ydf' size='340' side='right' caption='[[4ydf]], [[Resolution|resolution]] 2.80&Aring;' scene=''>
+== 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 [http://oca.weizmann.ac.il/oca-docs/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='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[3lix|3lix]], [[3wsj|3wsj]]</td></tr>
+<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4ydf FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4ydf OCA], [http://pdbe.org/4ydf PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4ydf RCSB], [http://www.ebi.ac.uk/pdbsum/4ydf PDBsum]</span></td></tr>
+</table>
+<div style="background-color:#fffaf0;">
+== Publication Abstract from PubMed ==
+,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.
-The entry 4ydf is ON HOLD  until Paper Publication
+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>
-Authors: Kuhnert, M., Blum, A., Steuber, H., Diederich, W.E.
+From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
+</div>
-Description: Crystal structure of compound 9 in complex with HTLV-1 Protease
+<div class="pdbe-citations 4ydf" style="background-color:#fffaf0;"></div>
-[[Category: Unreleased Structures]]
+== References ==
+<references/>
+__TOC__
+</StructureSection>
 [[Category: Blum, A]]
+[[Category: Diederich, W E]]
 [[Category: Kuhnert, M]]
 [[Category: Steuber, H]]
-[[Category: Diederich, W.E]]
+[[Category: Htlv-1 protease]]
+[[Category: Hydrolase]]