7c34: Difference between revisions

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 <StructureSection load='7c34' size='340' side='right'caption='[[7c34]], [[Resolution|resolution]] 1.94&Aring;' scene=''>
 == Structural highlights ==
-<table><tr><td colspan='2'>[[7c34]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/"bacillus_marcescens"_(bizio_1823)_trevisan_in_de_toni_and_trevisan_1889 "bacillus marcescens" (bizio 1823) trevisan in de toni and trevisan 1889]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7C34 OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=7C34 FirstGlance]. <br>
+<table><tr><td colspan='2'>Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7C34 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7C34 FirstGlance]. <br>
-</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=BER:BERBERINE'>BER</scene></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]] 1.938&#8491;</td></tr>
-<tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">chiB ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=615 "Bacillus marcescens" (Bizio 1823) Trevisan in de Toni and Trevisan 1889])</td></tr>
+<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=BER:BERBERINE'>BER</scene></td></tr>
-<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://proteopedia.org/fgij/fg.htm?mol=7c34 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7c34 OCA], [http://pdbe.org/7c34 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=7c34 RCSB], [http://www.ebi.ac.uk/pdbsum/7c34 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=7c34 ProSAT]</span></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=7c34 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7c34 OCA], [https://pdbe.org/7c34 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7c34 RCSB], [https://www.ebi.ac.uk/pdbsum/7c34 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7c34 ProSAT]</span></td></tr>
 </table>
-<div style="background-color:#fffaf0;">
-== Publication Abstract from PubMed ==
-Glycoside hydrolase family 18 (GH18) chitinases play an important role in various organisms ranging from bacteria to mammals. Chitinase inhibitors have potential applications as pesticides, fungicides, and anti-asthmatics. Berberine, a plant-derived isoquinoline alkaloid, was previously reported to inhibit against various GH18 chitinases with only moderate K i values ranging between 20 and 70 muM. In this report, we present for the first time the berberine-complexed crystal structure of SmChiB, a model GH18 chitinase from the bacterium Serratia marcescens. Based on the berberine-binding mode, a hydrophobic cavity-based optimisation strategy was developed to increase their inhibitory activity. A series of berberine derivatives were designed and synthesised, and their inhibitory activities against GH18 chitinases were evaluated. The compound 4c showed 80-fold-elevated inhibitory activity against SmChiB and the human chitinase hAMCase with K i values at the sub-micromolar level. The mechanism of improved inhibitory activities was proposed. This work provides a new strategy for developing novel chitinase inhibitors.
-Crystal structure-guided design of berberine-based novel chitinase inhibitors.,Chen L, Zhu L, Chen J, Chen W, Qian X, Yang Q J Enzyme Inhib Med Chem. 2020 Dec;35(1):1937-1943. doi:, 10.1080/14756366.2020.1837123. PMID:33167737<ref>PMID:33167737</ref>
-From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
-</div>
-<div class="pdbe-citations 7c34" style="background-color:#fffaf0;"></div>
 ==See Also==
 *[[Chitinase 3D structures|Chitinase 3D structures]]
-== References ==
-<references/>
 __TOC__
 </StructureSection>
 [[Category: Large Structures]]
-[[Category: Chen, J]]
+[[Category: Chen J]]
-[[Category: Chen, L]]
+[[Category: Chen L]]
-[[Category: Yang, Q]]
+[[Category: Yang Q]]
-[[Category: Berberine]]
-[[Category: Chitinase b]]
-[[Category: Hydrolase]]
-[[Category: Serratia marcescen]]