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3v7t
From Proteopedia
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| - | '''Unreleased structure''' | ||
| - | + | ==Crystal Structure of Human Beta-Tryptase Complexed with a Synthetic Inhibitor with a Tropanylamide Scaffold== | |
| + | <StructureSection load='3v7t' size='340' side='right'caption='[[3v7t]], [[Resolution|resolution]] 2.09Å' scene=''> | ||
| + | == Structural highlights == | ||
| + | <table><tr><td colspan='2'>[[3v7t]] is a 4 chain structure with sequence from [https://en.wikipedia.org/wiki/Human Human]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3V7T OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3V7T FirstGlance]. <br> | ||
| + | </td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=0GX:{(3-EXO)-3-[5-(AMINOMETHYL)-2-FLUOROPHENYL]-8-AZABICYCLO[3.2.1]OCT-8-YL}(4-BROMO-3-METHYL-5-PROPOXYTHIOPHEN-2-YL)METHANONE'>0GX</scene>, <scene name='pdbligand=CO3:CARBONATE+ION'>CO3</scene></td></tr> | ||
| + | <tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">TPSB2 ([https://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])</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=3v7t FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3v7t OCA], [https://pdbe.org/3v7t PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3v7t RCSB], [https://www.ebi.ac.uk/pdbsum/3v7t PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3v7t ProSAT]</span></td></tr> | ||
| + | </table> | ||
| + | <div style="background-color:#fffaf0;"> | ||
| + | == Publication Abstract from PubMed == | ||
| + | Tropanylamide was investigated as a possible scaffold for beta-tryptase inhibitors with a basic benzylamine P1 group and a substituted thiophene P4 group. Comparing to piperidinylamide, the tropanylamide scaffold is much more rigid, which presents less opportunity for the inhibitor to bind with off-target proteins, such as cytochrome P450, SSAO, and hERG potassium channel. The proposed binding mode was further confirmed by an in-house X-ray structure through co-crystallization. | ||
| - | + | A beta-tryptase inhibitor with a tropanylamide scaffold to improve in vitro stability and to lower hERG channel binding affinity.,Liang G, Choi-Sledeski YM, Shum P, Chen X, Poli GB, Kumar V, Minnich A, Wang Q, Tsay J, Sides K, Kang J, Zhang Y Bioorg Med Chem Lett. 2012 Feb 15;22(4):1606-10. Epub 2012 Jan 3. PMID:22264487<ref>PMID:22264487</ref> | |
| - | + | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |
| + | </div> | ||
| + | <div class="pdbe-citations 3v7t" style="background-color:#fffaf0;"></div> | ||
| + | |||
| + | ==See Also== | ||
| + | *[[Tryptase|Tryptase]] | ||
| + | == References == | ||
| + | <references/> | ||
| + | __TOC__ | ||
| + | </StructureSection> | ||
| + | [[Category: Human]] | ||
| + | [[Category: Large Structures]] | ||
| + | [[Category: Colonna, C]] | ||
| + | [[Category: Michot, N]] | ||
| + | [[Category: Zhang, Y]] | ||
| + | [[Category: Hydrolase-hydrolase inhibitor complex]] | ||
| + | [[Category: Protein-ligand complex]] | ||
| + | [[Category: Serine protease]] | ||
| + | [[Category: Tetramer]] | ||
| + | [[Category: Tryptase]] | ||
Current revision
Crystal Structure of Human Beta-Tryptase Complexed with a Synthetic Inhibitor with a Tropanylamide Scaffold
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