7c34 - Revision history

OCA at 15:53, 29 November 2023

2023-11-29T15:53:35Z

←Older revision		Revision as of 15:53, 29 November 2023
Line 3:		Line 3:
	<StructureSection load='7c34' size='340' side='right'caption='[[7c34]], [[Resolution\|resolution]] 1.94Å' scene=''>		<StructureSection load='7c34' size='340' side='right'caption='[[7c34]], [[Resolution\|resolution]] 1.94Å' scene=''>
	== Structural highlights ==		== 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'>[[7c34]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Serratia_marcescens Serratia marcescens]. 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]] 1.938Å</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>		</table>
		+	== Function ==
		+	[https://www.uniprot.org/uniprot/CHIB_SERMA CHIB_SERMA]
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 25:		Line 27:
	</StructureSection>		</StructureSection>
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: ~~Chen, J~~]]	+	[[Category: Serratia marcescens]]
-	[[Category: Chen~~, L~~]]	+	[[Category: Chen J]]
-	[[Category: ~~Yang, Q~~]]	+	[[Category: Chen L]]
-	[[Category: ~~Berberine]]~~	+	[[Category: Yang Q]]
-	~~[[Category: Chitinase b]]~~	+
-	~~[[Category: Hydrolase]]~~	+
-	~~[[Category: Serratia marcescen~~]]	+

OCA at 07:00, 9 December 2020

2020-12-09T07:00:47Z

←Older revision		Revision as of 07:00, 9 December 2020
Line 1:		Line 1:

	==Crystal structure of Serratia marcescens Chitinase B complexed with Berberine==		==Crystal structure of Serratia marcescens Chitinase B complexed with Berberine==
-	<StructureSection load='7c34' size='340' side='right'caption='[[7c34]]' scene=''>	+	<StructureSection load='7c34' size='340' side='right'caption='[[7c34]], [[Resolution\|resolution]] 1.94Å' 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=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'>[[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>
-	</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>	+	</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='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='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>
	</table>		</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®/PubMed®, 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__		__TOC__
	</StructureSection>		</StructureSection>
	[[Category: Large Structures]]		[[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]]

OCA at 07:07, 27 May 2020

2020-05-27T07:07:54Z

←Older revision		Revision as of 07:07, 27 May 2020
Line 1:		Line 1:
-	'''Unreleased structure'''

-	~~The entry~~ 7c34 ~~is ON HOLD~~	+	==Crystal structure of Serratia marcescens Chitinase B complexed with Berberine==
-		+	<StructureSection load='7c34' size='340' side='right'caption='[[7c34]]' scene=''>
-	~~Authors~~: ~~Chen~~, L., ~~Chen~~, J., ~~Yang~~, Q.	+	== Structural highlights ==
-		+	<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 [http://proteopedia.org/fgij/fg.htm?mol=7C34 FirstGlance]. <br>
-	~~Description: Crystal structure of Serratia marcescens Chitinase B complexed with Berberine~~	+	</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>
-	[[Category: ~~Unreleased~~ Structures]]	+	</table>
-	[[Category: Chen, J]]	+	__TOC__
-	[[Category: ~~Yang, Q~~]]	+	</StructureSection>
-	[[Category: ~~Chen, L~~]]	+	[[Category: Large Structures]]
		+	[[Category: Chen J]]
		+	[[Category: Chen L]]
		+	[[Category: Yang Q]]

OCA: Protected "7c34" [edit=sysop:move=sysop]

2020-05-20T04:38:18Z

Protected "7c34" [edit=sysop:move=sysop]

←Older revision

Revision as of 04:38, 20 May 2020

OCA: New page: '''Unreleased structure''' The entry 7c34 is ON HOLD Authors: Chen, L., Chen, J., Yang, Q. Description: Crystal structure of Serratia marcescens Chitinase B complexed with Berberine [[...

2020-05-20T04:38:17Z

New page: '''Unreleased structure''' The entry 7c34 is ON HOLD Authors: Chen, L., Chen, J., Yang, Q. Description: Crystal structure of Serratia marcescens Chitinase B complexed with Berberine [[...

New page

'''Unreleased structure'''

The entry 7c34 is ON HOLD

Authors: Chen, L., Chen, J., Yang, Q.

Description: Crystal structure of Serratia marcescens Chitinase B complexed with Berberine
[[Category: Unreleased Structures]]
[[Category: Chen, J]]
[[Category: Yang, Q]]
[[Category: Chen, L]]