7k5m
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==CRYSTAL STRUCTURE OF HBV CAPSID Y132A MUTANT IN COMPLEX WITH N-(3-chloro-4-fluorophenyl)-3-phenyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide AT 2.65A RESOLUTION== | ==CRYSTAL STRUCTURE OF HBV CAPSID Y132A MUTANT IN COMPLEX WITH N-(3-chloro-4-fluorophenyl)-3-phenyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide AT 2.65A RESOLUTION== | ||
| - | <StructureSection load='7k5m' size='340' side='right'caption='[[7k5m]]' scene=''> | + | <StructureSection load='7k5m' size='340' side='right'caption='[[7k5m]], [[Resolution|resolution]] 2.65Å' scene=''> |
== Structural highlights == | == Structural highlights == | ||
<table><tr><td colspan='2'>Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7K5M OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7K5M FirstGlance]. <br> | <table><tr><td colspan='2'>Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7K5M OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7K5M FirstGlance]. <br> | ||
| - | </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=7k5m FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7k5m OCA], [https://pdbe.org/7k5m PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7k5m RCSB], [https://www.ebi.ac.uk/pdbsum/7k5m PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7k5m ProSAT]</span></td></tr> | + | </td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.65Å</td></tr> |
| + | <tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=IPA:ISOPROPYL+ALCOHOL'>IPA</scene>, <scene name='pdbligand=VXJ:N-(3-chloro-4-fluorophenyl)-3-phenyl-2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide'>VXJ</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=7k5m FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7k5m OCA], [https://pdbe.org/7k5m PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7k5m RCSB], [https://www.ebi.ac.uk/pdbsum/7k5m PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7k5m ProSAT]</span></td></tr> | ||
</table> | </table> | ||
| + | <div style="background-color:#fffaf0;"> | ||
| + | == Publication Abstract from PubMed == | ||
| + | The HBV core protein is a druggable target of interest due to the multiple essential functions in the HBV life cycle to enable chronic HBV infection. The core protein oligomerizes to form the viral capsid, and modulation of the HBV capsid assembly has shown efficacy in clinical trials. Herein is described the identification and hit to lead SAR of a novel series of pyrazolo piperidine HBV capsid assembly modulators. | ||
| + | |||
| + | Identification of a new class of HBV capsid assembly modulator.,Kuduk SD, Stoops B, Alexander R, Lam AM, Espiritu C, Vogel R, Lau V, Klumpp K, Flores OA, Hartman GD Bioorg Med Chem Lett. 2021 May 1;39:127848. doi: 10.1016/j.bmcl.2021.127848. Epub, 2021 Feb 18. PMID:33610748<ref>PMID:33610748</ref> | ||
| + | |||
| + | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | ||
| + | </div> | ||
| + | <div class="pdbe-citations 7k5m" style="background-color:#fffaf0;"></div> | ||
| + | == References == | ||
| + | <references/> | ||
__TOC__ | __TOC__ | ||
</StructureSection> | </StructureSection> | ||
Current revision
CRYSTAL STRUCTURE OF HBV CAPSID Y132A MUTANT IN COMPLEX WITH N-(3-chloro-4-fluorophenyl)-3-phenyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide AT 2.65A RESOLUTION
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Categories: Large Structures | Abendroth J | Alexander R | Espiritu C | Flores OA | Hartman GD | Klumpp K | Kuduk SD | Lam AM | Lau V | Lukacs CM | Stoops B | Vogel R
