3sqy - Revision history

OCA at 09:54, 1 March 2024

OCA — Fri, 01 Mar 2024 09:54:37 GMT

←Older revision		Revision as of 09:54, 1 March 2024
Line 3:		Line 3:
	<StructureSection load='3sqy' size='340' side='right'caption='[[3sqy]], [[Resolution\|resolution]] 1.50Å' scene=''>		<StructureSection load='3sqy' size='340' side='right'caption='[[3sqy]], [[Resolution\|resolution]] 1.50Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[3sqy]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/~~"micrococcus_aureus"_(rosenbach_1884)_zopf_1885 "micrococcus~~ aureus~~" (rosenbach 1884) zopf 1885~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3SQY OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3SQY FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[3sqy]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Staphylococcus_aureus Staphylococcus aureus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3SQY OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3SQY FirstGlance]. <br>
-	</td></tr><tr id='~~ligand~~'><td class="sblockLbl"><b>[[~~Ligand~~\|~~Ligands~~:]]</b></td><td class="sblockDat" id="~~ligandDat~~">~~<scene name='pdbligand=NAP:NADP+NICOTINAMIDE~~-~~ADENINE-DINUCLEOTIDE+PHOSPHATE'>NAP</scene>~~, ~~<scene name='pdbligand=Q11:7-(2-METHOXYPHENYL)QUINAZOLINE-2,4-DIAMINE'>Q11</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]] 1.5Å</td></tr>
-	~~<tr id='related'><td class="sblockLbl"><b>~~[[~~Related_structure~~\|~~Related:~~]]~~</b></td><td class="sblockDat"><div style='overflow: auto~~; ~~max-height: 3em;'>[[3sr5\|3sr5]], [[3srq\|3srq]], [[3srr\|3srr]], [[3srs\|3srs]], [[3sru\|3sru]], [[3srw\|3srw]]</div>~~</td></tr>	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=NAP:NADP+NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NAP</scene>, <scene name='pdbligand=Q11:7-(2-METHOXYPHENYL)QUINAZOLINE-2,4-DIAMINE'>Q11</scene></td></tr>
-	<tr id='~~gene~~'><td class="sblockLbl"><b>[[~~Gene~~\|~~Gene~~:]]</b></td><td class="sblockDat"~~>folA ([https://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&~~id=~~1280~~ "~~Micrococcus aureus~~" ~~(Rosenbach 1884) Zopf 1885])</td~~><~~/tr>~~	+
-	~~<tr id~~='~~activity'><td class~~=~~"sblockLbl"><b>Activity~~:~~</b~~></td><~~td class~~=~~"sblockDat"><span class~~=~~'plainlinks'>[https~~:~~//en.wikipedia.org/wiki/Dihydrofolate_reductase Dihydrofolate reductase]~~, ~~with EC number [https://www.brenda~~-~~enzymes.info/php/result_flat.php4?ecno=1.5.1.3 1.5.1.3]~~ </~~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=3sqy FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3sqy OCA], [https://pdbe.org/3sqy PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3sqy RCSB], [https://www.ebi.ac.uk/pdbsum/3sqy PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3sqy 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=3sqy FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3sqy OCA], [https://pdbe.org/3sqy PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3sqy RCSB], [https://www.ebi.ac.uk/pdbsum/3sqy PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3sqy ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
-	[[https://www.uniprot.org/uniprot/DYR_STAAU DYR_STAAU]] Key enzyme in folate metabolism. Catalyzes an essential reaction for de novo glycine and purine synthesis, and for DNA precursor synthesis.	+	[https://www.uniprot.org/uniprot/DYR_STAAU DYR_STAAU] Key enzyme in folate metabolism. Catalyzes an essential reaction for de novo glycine and purine synthesis, and for DNA precursor synthesis.
-	~~<div style="background-color:#fffaf0;">~~	+
-	~~== Publication Abstract from PubMed ==~~	+
-	Dihydrofolate reductase (DHFR) inhibitors such as trimethoprim (TMP) have long played a significant role in the treatment of bacterial infections. Not surprisingly, after decades of use there is now bacterial resistance to TMP and therefore a need to develop novel antibacterial agents with expanded spectrum including these resistant strains. In this study, we investigated the optimization of 2,4-diamnoquinazolines for antibacterial potency and selectivity. Using structure-based drug design, several 7-aryl-2,4-diaminoquinazolines were discovered that have excellent sub-100 picomolar potency against bacterial DHFR. These compounds have good antibacterial activity especially on gram-positive pathogens including TMP-resistant strains.	+
-		+
-	Structure-based design of new DHFR-based antibacterial agents: 7-aryl-2,4-diaminoquinazolines.,Li X, Hilgers M, Cunningham M, Chen Z, Trzoss M, Zhang J, Kohnen L, Lam T, Creighton C, Gc K, Nelson K, Kwan B, Stidham M, Brown-Driver V, Shaw KJ, Finn J Bioorg Med Chem Lett. 2011 Sep 15;21(18):5171-6. Epub 2011 Jul 23. PMID:21831637<ref>PMID:21831637</ref>	+
-		+
-	~~From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>~~	+
-	~~</div>~~	+
-	~~<div class="pdbe-citations 3sqy" style="background-color:#fffaf0;"></div>~~	+

	==See Also==		==See Also==
	*[[Dihydrofolate reductase 3D structures\|Dihydrofolate reductase 3D structures]]		*[[Dihydrofolate reductase 3D structures\|Dihydrofolate reductase 3D structures]]
-	== References ==
-	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: Dihydrofolate reductase]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: ~~Hilgers, M~~]]	+	[[Category: Staphylococcus aureus]]
-	[[Category: ~~Dhfr]]~~	+	[[Category: Hilgers M]]
-	~~[[Category: Drug design]]~~	+
-	~~[[Category: Enzyme inhibitor]]~~	+
-	~~[[Category: Folate]]~~	+
-	~~[[Category: Oxidoreductase-oxidoreductase inhibitor complex~~]]	+

OCA at 08:06, 29 June 2022

OCA — Wed, 29 Jun 2022 08:06:52 GMT

←Older revision		Revision as of 08:06, 29 June 2022
Line 1:		Line 1:

	==S. aureus Dihydrofolate Reductase complexed with novel 7-aryl-2,4-diaminoquinazolines==		==S. aureus Dihydrofolate Reductase complexed with novel 7-aryl-2,4-diaminoquinazolines==
-	<StructureSection load='3sqy' size='340' side='right' caption='[[3sqy]], [[Resolution\|resolution]] 1.50Å' scene=''>	+	<StructureSection load='3sqy' size='340' side='right'caption='[[3sqy]], [[Resolution\|resolution]] 1.50Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[3sqy]] is a 1 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/"micrococcus_aureus"_(rosenbach_1884)_zopf_1885 "micrococcus aureus" (rosenbach 1884) zopf 1885]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3SQY OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=3SQY FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[3sqy]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/"micrococcus_aureus"_(rosenbach_1884)_zopf_1885 "micrococcus aureus" (rosenbach 1884) zopf 1885]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3SQY OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3SQY FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=NAP:NADP+NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NAP</scene>, <scene name='pdbligand=Q11:7-(2-METHOXYPHENYL)QUINAZOLINE-2,4-DIAMINE'>Q11</scene></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=NAP:NADP+NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NAP</scene>, <scene name='pdbligand=Q11:7-(2-METHOXYPHENYL)QUINAZOLINE-2,4-DIAMINE'>Q11</scene></td></tr>
-	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3sr5\|3sr5]], [[3srq\|3srq]], [[3srr\|3srr]], [[3srs\|3srs]], [[3sru\|3sru]], [[3srw\|3srw]]</td></tr>	+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[3sr5\|3sr5]], [[3srq\|3srq]], [[3srr\|3srr]], [[3srs\|3srs]], [[3sru\|3sru]], [[3srw\|3srw]]</div></td></tr>
-	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">folA ([~~http~~://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=1280 "Micrococcus aureus" (Rosenbach 1884) Zopf 1885])</td></tr>	+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">folA ([https://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=1280 "Micrococcus aureus" (Rosenbach 1884) Zopf 1885])</td></tr>
-	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[~~http~~://en.wikipedia.org/wiki/Dihydrofolate_reductase Dihydrofolate reductase], with EC number [~~http~~://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.5.1.3 1.5.1.3] </span></td></tr>	+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[https://en.wikipedia.org/wiki/Dihydrofolate_reductase Dihydrofolate reductase], with EC number [https://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.5.1.3 1.5.1.3] </span></td></tr>
-	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=3sqy FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3sqy OCA], [~~http~~://pdbe.org/3sqy PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=3sqy RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/3sqy PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=3sqy 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=3sqy FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3sqy OCA], [https://pdbe.org/3sqy PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3sqy RCSB], [https://www.ebi.ac.uk/pdbsum/3sqy PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3sqy ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
-	[[~~http~~://www.uniprot.org/uniprot/DYR_STAAU DYR_STAAU]] Key enzyme in folate metabolism. Catalyzes an essential reaction for de novo glycine and purine synthesis, and for DNA precursor synthesis.	+	[[https://www.uniprot.org/uniprot/DYR_STAAU DYR_STAAU]] Key enzyme in folate metabolism. Catalyzes an essential reaction for de novo glycine and purine synthesis, and for DNA precursor synthesis.
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 23:		Line 23:

	==See Also==		==See Also==
-	*[[Dihydrofolate reductase\|Dihydrofolate reductase]]	+	*[[Dihydrofolate reductase 3D structures\|Dihydrofolate reductase 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
Line 29:		Line 29:
	</StructureSection>		</StructureSection>
	[[Category: Dihydrofolate reductase]]		[[Category: Dihydrofolate reductase]]
		+	[[Category: Large Structures]]
	[[Category: Hilgers, M]]		[[Category: Hilgers, M]]
	[[Category: Dhfr]]		[[Category: Dhfr]]

OCA at 07:58, 4 August 2016

OCA — Thu, 04 Aug 2016 07:58:48 GMT

←Older revision		Revision as of 07:58, 4 August 2016
Line 1:		Line 1:
		+
	==S. aureus Dihydrofolate Reductase complexed with novel 7-aryl-2,4-diaminoquinazolines==		==S. aureus Dihydrofolate Reductase complexed with novel 7-aryl-2,4-diaminoquinazolines==
	<StructureSection load='3sqy' size='340' side='right' caption='[[3sqy]], [[Resolution\|resolution]] 1.50Å' scene=''>		<StructureSection load='3sqy' size='340' side='right' caption='[[3sqy]], [[Resolution\|resolution]] 1.50Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[3sqy]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/~~Staphylococcus_aureus Staphylococcus~~ aureus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3SQY OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3SQY FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[3sqy]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/"micrococcus_aureus"_(rosenbach_1884)_zopf_1885 "micrococcus aureus" (rosenbach 1884) zopf 1885]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3SQY OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3SQY FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=NAP:NADP+NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NAP</scene>, <scene name='pdbligand=Q11:7-(2-METHOXYPHENYL)QUINAZOLINE-2,4-DIAMINE'>Q11</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=NAP:NADP+NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NAP</scene>, <scene name='pdbligand=Q11:7-(2-METHOXYPHENYL)QUINAZOLINE-2,4-DIAMINE'>Q11</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3sr5\|3sr5]], [[3srq\|3srq]], [[3srr\|3srr]], [[3srs\|3srs]], [[3sru\|3sru]], [[3srw\|3srw]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3sr5\|3sr5]], [[3srq\|3srq]], [[3srr\|3srr]], [[3srs\|3srs]], [[3sru\|3sru]], [[3srw\|3srw]]</td></tr>
-	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">folA ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=1280 ~~Staphylococcus~~ aureus])</td></tr>	+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">folA ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=1280 "Micrococcus aureus" (Rosenbach 1884) Zopf 1885])</td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Dihydrofolate_reductase Dihydrofolate reductase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.5.1.3 1.5.1.3] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Dihydrofolate_reductase Dihydrofolate reductase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.5.1.3 1.5.1.3] </span></td></tr>
-	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3sqy FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3sqy OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3sqy RCSB], [http://www.ebi.ac.uk/pdbsum/3sqy PDBsum]</span></td></tr>	+	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3sqy FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3sqy OCA], [http://pdbe.org/3sqy PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=3sqy RCSB], [http://www.ebi.ac.uk/pdbsum/3sqy PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=3sqy ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
Line 19:		Line 20:
	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>		From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
	</div>		</div>
		+	<div class="pdbe-citations 3sqy" style="background-color:#fffaf0;"></div>

	==See Also==		==See Also==
Line 27:		Line 29:
	</StructureSection>		</StructureSection>
	[[Category: Dihydrofolate reductase]]		[[Category: Dihydrofolate reductase]]
-	[[Category: Staphylococcus aureus]]
	[[Category: Hilgers, M]]		[[Category: Hilgers, M]]
	[[Category: Dhfr]]		[[Category: Dhfr]]

OCA at 07:18, 24 December 2014

OCA — Wed, 24 Dec 2014 07:18:34 GMT

←Older revision		Revision as of 07:18, 24 December 2014
Line 9:		Line 9:
	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3sqy FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3sqy OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3sqy RCSB], [http://www.ebi.ac.uk/pdbsum/3sqy PDBsum]</span></td></tr>		<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3sqy FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3sqy OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3sqy RCSB], [http://www.ebi.ac.uk/pdbsum/3sqy PDBsum]</span></td></tr>
	</table>		</table>
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/DYR_STAAU DYR_STAAU]] Key enzyme in folate metabolism. Catalyzes an essential reaction for de novo glycine and purine synthesis, and for DNA precursor synthesis.
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==

OCA at 11:42, 9 December 2014

OCA — Tue, 09 Dec 2014 11:42:52 GMT

←Older revision		Revision as of 11:42, 9 December 2014
Line 1:		Line 1:
-	[[~~Image:~~3sqy.~~png~~\|~~left~~\|~~200px~~]]	+	==S. aureus Dihydrofolate Reductase complexed with novel 7-aryl-2,4-diaminoquinazolines==
		+	<StructureSection load='3sqy' size='340' side='right' caption='[[3sqy]], [[Resolution\|resolution]] 1.50Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[3sqy]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Staphylococcus_aureus Staphylococcus aureus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3SQY OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3SQY FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=NAP:NADP+NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NAP</scene>, <scene name='pdbligand=Q11:7-(2-METHOXYPHENYL)QUINAZOLINE-2,4-DIAMINE'>Q11</scene></td></tr>
		+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3sr5\|3sr5]], [[3srq\|3srq]], [[3srr\|3srr]], [[3srs\|3srs]], [[3sru\|3sru]], [[3srw\|3srw]]</td></tr>
		+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">folA ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=1280 Staphylococcus aureus])</td></tr>
		+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Dihydrofolate_reductase Dihydrofolate reductase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.5.1.3 1.5.1.3] </span></td></tr>
		+	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3sqy FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3sqy OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3sqy RCSB], [http://www.ebi.ac.uk/pdbsum/3sqy PDBsum]</span></td></tr>
		+	</table>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Dihydrofolate reductase (DHFR) inhibitors such as trimethoprim (TMP) have long played a significant role in the treatment of bacterial infections. Not surprisingly, after decades of use there is now bacterial resistance to TMP and therefore a need to develop novel antibacterial agents with expanded spectrum including these resistant strains. In this study, we investigated the optimization of 2,4-diamnoquinazolines for antibacterial potency and selectivity. Using structure-based drug design, several 7-aryl-2,4-diaminoquinazolines were discovered that have excellent sub-100 picomolar potency against bacterial DHFR. These compounds have good antibacterial activity especially on gram-positive pathogens including TMP-resistant strains.

-	~~{{STRUCTURE_3sqy\| PDB=3sqy \| SCENE= }}~~	+	Structure-based design of new DHFR-based antibacterial agents: 7-aryl-2,4-diaminoquinazolines.,Li X, Hilgers M, Cunningham M, Chen Z, Trzoss M, Zhang J, Kohnen L, Lam T, Creighton C, Gc K, Nelson K, Kwan B, Stidham M, Brown-Driver V, Shaw KJ, Finn J Bioorg Med Chem Lett. 2011 Sep 15;21(18):5171-6. Epub 2011 Jul 23. PMID:21831637<ref>PMID:21831637</ref>

-	~~===S. aureus Dihydrofolate Reductase complexed with novel 7-aryl-2~~,~~4-diaminoquinazolines===~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-		+	</div>
-	~~{{ABSTRACT_PUBMED_21831637}}~~	+
-		+
-	~~==About this Structure==~~	+
-	~~[[3sqy]] is~~ a ~~1 chain structure with sequence from [http://en~~.~~wikipedia~~.~~org/wiki/Staphylococcus_aureus Staphylococcus aureus]~~. ~~Full crystallographic information is available from [http:~~/~~/oca.weizmann.ac.il/oca-bin/ocashort?id=3SQY OCA].~~	+

	==See Also==		==See Also==
	*[[Dihydrofolate reductase\|Dihydrofolate reductase]]		*[[Dihydrofolate reductase\|Dihydrofolate reductase]]
-		+	== References ==
-	==~~Reference~~==	+	<references/>
-	<~~ref group="xtra">PMID:021831637<~~/~~ref~~><~~references group="xtra"~~/>	+	__TOC__
		+	</StructureSection>
	[[Category: Dihydrofolate reductase]]		[[Category: Dihydrofolate reductase]]
	[[Category: Staphylococcus aureus]]		[[Category: Staphylococcus aureus]]
-	[[Category: Hilgers, M.]]	+	[[Category: Hilgers, M]]
	[[Category: Dhfr]]		[[Category: Dhfr]]
-	[[Category: Dihydrofolate reductase]]
	[[Category: Drug design]]		[[Category: Drug design]]
	[[Category: Enzyme inhibitor]]		[[Category: Enzyme inhibitor]]
	[[Category: Folate]]		[[Category: Folate]]
	[[Category: Oxidoreductase-oxidoreductase inhibitor complex]]		[[Category: Oxidoreductase-oxidoreductase inhibitor complex]]

OCA at 05:24, 20 October 2012

OCA — Sat, 20 Oct 2012 05:24:24 GMT

←Older revision		Revision as of 05:24, 20 October 2012
Line 8:		Line 8:

	==About this Structure==		==About this Structure==
-	[[3sqy]] is a 1 chain structure ~~of [[Dihydrofolate reductase]]~~ with sequence from [http://en.wikipedia.org/wiki/Staphylococcus_aureus Staphylococcus aureus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3SQY OCA].	+	[[3sqy]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Staphylococcus_aureus Staphylococcus aureus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3SQY OCA].

	==See Also==		==See Also==

OCA at 09:56, 25 July 2012

OCA — Wed, 25 Jul 2012 09:56:21 GMT

←Older revision		Revision as of 09:56, 25 July 2012
Line 1:		Line 1:
	[[Image:3sqy.png\|left\|200px]]		[[Image:3sqy.png\|left\|200px]]

-	<!--
-	The line below this paragraph, containing "STRUCTURE_3sqy", creates the "Structure Box" on the page.
-	You may change the PDB parameter (which sets the PDB file loaded into the applet)
-	or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
-	or leave the SCENE parameter empty for the default display.
-	-->
	{{STRUCTURE_3sqy\| PDB=3sqy \| SCENE= }}		{{STRUCTURE_3sqy\| PDB=3sqy \| SCENE= }}

	===S. aureus Dihydrofolate Reductase complexed with novel 7-aryl-2,4-diaminoquinazolines===		===S. aureus Dihydrofolate Reductase complexed with novel 7-aryl-2,4-diaminoquinazolines===

-
-	<!--
-	The line below this paragraph, {{ABSTRACT_PUBMED_21831637}}, adds the Publication Abstract to the page
-	(as it appears on PubMed at http://www.pubmed.gov), where 21831637 is the PubMed ID number.
-	-->
	{{ABSTRACT_PUBMED_21831637}}		{{ABSTRACT_PUBMED_21831637}}

	==About this Structure==		==About this Structure==
-	[[3sqy]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Staphylococcus_aureus Staphylococcus aureus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3SQY OCA].	+	[[3sqy]] is a 1 chain structure of [[Dihydrofolate reductase]] with sequence from [http://en.wikipedia.org/wiki/Staphylococcus_aureus Staphylococcus aureus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3SQY OCA].
		+
		+	==See Also==
		+	*[[Dihydrofolate reductase\|Dihydrofolate reductase]]

	==Reference==		==Reference==

OCA at 07:23, 30 October 2011

OCA — Sun, 30 Oct 2011 07:23:23 GMT

←Older revision		Revision as of 07:23, 30 October 2011
Line 1:		Line 1:
-	[[Image:3sqy.~~jpg~~\|left\|200px]]	+	[[Image:3sqy.png\|left\|200px]]

	<!--		<!--

OCA at 06:46, 31 August 2011

OCA — Wed, 31 Aug 2011 06:46:11 GMT

←Older revision		Revision as of 06:46, 31 August 2011
Line 1:		Line 1:
-	~~'''Unreleased structure'''~~	+	[[Image:3sqy.jpg\|left\|200px]]

-	The ~~entry 3sqy~~ is ~~ON HOLD~~	+	<!--
		+	The line below this paragraph, containing "STRUCTURE_3sqy", creates the "Structure Box" on the page.
		+	You may change the PDB parameter (which sets the PDB file loaded into the applet)
		+	or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
		+	or leave the SCENE parameter empty for the default display.
		+	-->
		+	{{STRUCTURE_3sqy\| PDB=3sqy \| SCENE= }}

-	~~Authors: Hilgers, M~~.	+	===S. aureus Dihydrofolate Reductase complexed with novel 7-aryl-2,4-diaminoquinazolines===

-	~~Description~~: S. ~~aureus Dihydrofolate Reductase complexed with novel 7~~-~~aryl~~-2,4-~~diaminoquinazolines~~	+
		+	<!--
		+	The line below this paragraph, {{ABSTRACT_PUBMED_21831637}}, adds the Publication Abstract to the page
		+	(as it appears on PubMed at http://www.pubmed.gov), where 21831637 is the PubMed ID number.
		+	-->
		+	{{ABSTRACT_PUBMED_21831637}}
		+
		+	==About this Structure==
		+	[[3sqy]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Staphylococcus_aureus Staphylococcus aureus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3SQY OCA].
		+
		+	==Reference==
		+	<ref group="xtra">PMID:021831637</ref><references group="xtra"/>
		+	[[Category: Dihydrofolate reductase]]
		+	[[Category: Staphylococcus aureus]]
		+	[[Category: Hilgers, M.]]
		+	[[Category: Dhfr]]
		+	[[Category: Dihydrofolate reductase]]
		+	[[Category: Drug design]]
		+	[[Category: Enzyme inhibitor]]
		+	[[Category: Folate]]
		+	[[Category: Oxidoreductase-oxidoreductase inhibitor complex]]

OCA: Protected "3sqy" [edit=sysop:move=sysop]

OCA — Wed, 13 Jul 2011 06:55:17 GMT

Protected "3sqy" [edit=sysop:move=sysop]

←Older revision

Revision as of 06:55, 13 July 2011