6lj4 - Revision history

OCA at 11:01, 22 November 2023

OCA — Wed, 22 Nov 2023 11:01:08 GMT

←Older revision		Revision as of 11:01, 22 November 2023
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	<StructureSection load='6lj4' size='340' side='right'caption='[[6lj4]], [[Resolution\|resolution]] 1.15Å' scene=''>		<StructureSection load='6lj4' size='340' side='right'caption='[[6lj4]], [[Resolution\|resolution]] 1.15Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[6lj4]] is a 1 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/~~"bacillus_pneumoniae"_(schroeter_1886)_flugge_1886 "bacillus~~ pneumoniae~~" (schroeter 1886) flugge 1886~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6LJ4 OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://proteopedia.org/fgij/fg.htm?mol=6LJ4 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6lj4]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Klebsiella_pneumoniae Klebsiella pneumoniae]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6LJ4 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6LJ4 FirstGlance]. <br>
-	</td></tr><tr id='~~ligand~~'><td class="sblockLbl"><b>[[~~Ligand~~\|~~Ligands~~:]]</b></td><td class="sblockDat" id="~~ligandDat~~">~~<scene name='pdbligand=EF9:(3S)-1~~-[~~(2S)-2-methyl-3-sulfanyl-propanoyl~~]~~piperidine-3-carboxylic+acid'>EF9</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</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]] 1.15Å</td></tr>
-	<tr id='~~related~~'><td class="sblockLbl"><b>[[~~Related_structure~~\|~~Related~~:]]</b></td><td class="sblockDat"~~><div style~~=~~'overflow: auto; max-height: 3em;'~~>~~[[6lip\|6lip]], [[5zj2\|5zj2]], [[6lj0\|6lj0]], [[6liz\|6liz]], [[6lj1\|6lj1]], [[6lj2\|6lj2]]~~<~~/div></td></tr>~~	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=EF9:(3S)-1-[(2S)-2-methyl-3-sulfanyl-propanoyl]piperidine-3-carboxylic+acid'>EF9</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>
-	~~<tr id~~='~~gene'><td class~~=~~"sblockLbl"><b>[[Gene\|Gene~~:~~]]</b></td><td class="sblockDat">blaNDM~~-1 ([~~http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=573 "Bacillus pneumoniae"~~ (~~Schroeter 1886~~) ~~Flugge 1886~~]~~)</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=6lj4 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6lj4 OCA], [https://pdbe.org/6lj4 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6lj4 RCSB], [https://www.ebi.ac.uk/pdbsum/6lj4 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6lj4 ProSAT]</span></td></tr>
-	<~~tr id~~='~~activity'><td class~~=~~"sblockLbl"><b>Activity~~:~~</b></td><td class="sblockDat"><span class='plainlinks~~'>~~[http://en.wikipedia.org/wiki/Beta-lactamase Beta-lactamase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.5.2.6 3.5.2.6]~~ </~~span~~></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=6lj4 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6lj4 OCA], [~~http~~://pdbe.org/6lj4 PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=6lj4 RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/6lj4 PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=6lj4 ProSAT]</span></td></tr>	+
	</table>		</table>
	== Function ==		== Function ==
-	[~~[http~~://www.uniprot.org/uniprot/BLAN1_KLEPN BLAN1_KLEPN]] Confers resistance to many beta-lactam antibiotics, including some carbapenems. Does not confer resistance to the polymixin colistin or the fluoroquinolone ciprofloxacin.	+	[https://www.uniprot.org/uniprot/BLAN1_KLEPN BLAN1_KLEPN] Confers resistance to many beta-lactam antibiotics, including some carbapenems. Does not confer resistance to the polymixin colistin or the fluoroquinolone ciprofloxacin.
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
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	</div>		</div>
	<div class="pdbe-citations 6lj4" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 6lj4" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Beta-lactamase 3D structures\|Beta-lactamase 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Beta-lactamase~~]]	+	[[Category: Klebsiella pneumoniae]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Ma, G]]	+	[[Category: Ma G]]
-	[[Category: Zhang, H]]	+	[[Category: Zhang H]]
-	~~[[Category: Antibiotic]]~~	+
-	~~[[Category: Antibiotic resistent]]~~	+
-	~~[[Category: Hydrolase]]~~	+
-	~~[[Category: Inhibitor]]~~	+
-	~~[[Category: Metallo-beta-lactamase]]~~	+
-	~~[[Category: Ndm-1]]~~	+
-	~~[[Category: Thio compound~~]]	+

OCA at 10:49, 24 December 2020

OCA — Thu, 24 Dec 2020 10:49:15 GMT

←Older revision		Revision as of 10:49, 24 December 2020
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	==Crystal structure of NDM-1 in complex with D-captopril derivative wss04146==		==Crystal structure of NDM-1 in complex with D-captopril derivative wss04146==
-	<StructureSection load='6lj4' size='340' side='right'caption='[[6lj4]]' scene=''>	+	<StructureSection load='6lj4' size='340' side='right'caption='[[6lj4]], [[Resolution\|resolution]] 1.15Å' 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=6LJ4 OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=6LJ4 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6lj4]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/"bacillus_pneumoniae"_(schroeter_1886)_flugge_1886 "bacillus pneumoniae" (schroeter 1886) flugge 1886]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6LJ4 OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=6LJ4 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=6lj4 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6lj4 OCA], [http://pdbe.org/6lj4 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6lj4 RCSB], [http://www.ebi.ac.uk/pdbsum/6lj4 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6lj4 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=EF9:(3S)-1-[(2S)-2-methyl-3-sulfanyl-propanoyl]piperidine-3-carboxylic+acid'>EF9</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>
		+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[6lip\|6lip]], [[5zj2\|5zj2]], [[6lj0\|6lj0]], [[6liz\|6liz]], [[6lj1\|6lj1]], [[6lj2\|6lj2]]</div></td></tr>
		+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">blaNDM-1 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=573 "Bacillus pneumoniae" (Schroeter 1886) Flugge 1886])</td></tr>
		+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Beta-lactamase Beta-lactamase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.5.2.6 3.5.2.6] </span></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=6lj4 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6lj4 OCA], [http://pdbe.org/6lj4 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6lj4 RCSB], [http://www.ebi.ac.uk/pdbsum/6lj4 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6lj4 ProSAT]</span></td></tr>
	</table>		</table>
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/BLAN1_KLEPN BLAN1_KLEPN]] Confers resistance to many beta-lactam antibiotics, including some carbapenems. Does not confer resistance to the polymixin colistin or the fluoroquinolone ciprofloxacin.
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	beta-lactam antibiotics have long been the mainstay for the treatment of bacterial infections. New Delhi metallo-beta-lactamase 1 (NDM-1) is able to hydrolyze nearly all beta-lactam antibiotics and even clinically used serine-beta-lactamase inhibitors. The wide and rapid spreading of NDM-1 gene among pathogenic bacteria has attracted extensive attention, therefore high potency NDM-1 inhibitors are urgently needed. Here we report a series of structure-guided design of D-captopril derivatives that can inhibit the activity of NDM-1 in vitro and at cellular levels. Structural comparison indicates the mechanisms of inhibition enhancement and provides insights for further inhibitor optimization.
		+
		+	Structure-guided optimization of D-captopril for discovery of potent NDM-1 inhibitors.,Ma G, Wang S, Wu K, Zhang W, Ahmad A, Hao Q, Lei X, Zhang H Bioorg Med Chem. 2020 Dec 3;29:115902. doi: 10.1016/j.bmc.2020.115902. PMID:33302045<ref>PMID:33302045</ref>
		+
		+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
		+	</div>
		+	<div class="pdbe-citations 6lj4" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Beta-lactamase]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Ma G]]	+	[[Category: Ma, G]]
-	[[Category: Zhang H]]	+	[[Category: Zhang, H]]
		+	[[Category: Antibiotic]]
		+	[[Category: Antibiotic resistent]]
		+	[[Category: Hydrolase]]
		+	[[Category: Inhibitor]]
		+	[[Category: Metallo-beta-lactamase]]
		+	[[Category: Ndm-1]]
		+	[[Category: Thio compound]]

OCA at 12:29, 16 December 2020

OCA — Wed, 16 Dec 2020 12:29:50 GMT

←Older revision		Revision as of 12:29, 16 December 2020
Line 1:		Line 1:
-	'''Unreleased structure'''

-	~~The entry 6lj4 is ON HOLD until Paper Publication~~	+	==Crystal structure of NDM-1 in complex with D-captopril derivative wss04146==
-		+	<StructureSection load='6lj4' size='340' side='right'caption='[[6lj4]]' scene=''>
-	~~Authors: Zhang, H., Ma, G.~~	+	== Structural highlights ==
-		+	<table><tr><td colspan='2'>Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6LJ4 OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=6LJ4 FirstGlance]. <br>
-	~~Description:~~ Crystal structure of NDM-1 in complex with D-captopril derivative wss04146	+	</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=6lj4 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6lj4 OCA], [http://pdbe.org/6lj4 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6lj4 RCSB], [http://www.ebi.ac.uk/pdbsum/6lj4 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6lj4 ProSAT]</span></td></tr>
-	[[~~Category~~: ~~Unreleased Structures~~]]	+	</table>
-	[[~~Category~~: ~~Zhang~~, H]]	+	__TOC__
-	[[Category: Ma, G]]	+	</StructureSection>
		+	[[Category: Large Structures]]
		+	[[Category: Ma G]]
		+	[[Category: Zhang H]]

OCA at 13:29, 22 January 2020

OCA — Wed, 22 Jan 2020 13:29:26 GMT

←Older revision		Revision as of 13:29, 22 January 2020
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 6lj4 is ON HOLD	+	The entry 6lj4 is ON HOLD until Paper Publication

	Authors: Zhang, H., Ma, G.		Authors: Zhang, H., Ma, G.

OCA: Protected "6lj4" [edit=sysop:move=sysop]

OCA — Wed, 18 Dec 2019 05:45:52 GMT

Protected "6lj4" [edit=sysop:move=sysop]

←Older revision

Revision as of 05:45, 18 December 2019

OCA: New page: '''Unreleased structure''' The entry 6lj4 is ON HOLD Authors: Zhang, H., Ma, G. Description: Crystal structure of NDM-1 in complex with D-captopril derivative wss04146 [[Category: Unre...

OCA — Wed, 18 Dec 2019 05:45:50 GMT

New page: '''Unreleased structure''' The entry 6lj4 is ON HOLD Authors: Zhang, H., Ma, G. Description: Crystal structure of NDM-1 in complex with D-captopril derivative wss04146 [[Category: Unre...

New page

'''Unreleased structure'''

The entry 6lj4 is ON HOLD

Authors: Zhang, H., Ma, G.

Description: Crystal structure of NDM-1 in complex with D-captopril derivative wss04146
[[Category: Unreleased Structures]]
[[Category: Zhang, H]]
[[Category: Ma, G]]