2zdz - Revision history

OCA at 10:51, 8 December 2021

2021-12-08T10:51:07Z

←Older revision		Revision as of 10:51, 8 December 2021
Line 1:		Line 1:

	==X-ray structure of Bace-1 in complex with compound 3.b.10==		==X-ray structure of Bace-1 in complex with compound 3.b.10==
-	<StructureSection load='2zdz' size='340' side='right' caption='[[2zdz]], [[Resolution\|resolution]] 2.00Å' scene=''>	+	<StructureSection load='2zdz' size='340' side='right'caption='[[2zdz]], [[Resolution\|resolution]] 2.00Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[2zdz]] is a 1 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/Human Human]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2ZDZ OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=2ZDZ FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[2zdz]] is a 1 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=2ZDZ OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2ZDZ FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=310:N-CARBAMIMIDOYL-2-[2-(2-CHLOROPHENYL)-5-[4-(4-ETHANOYLPHENOXY)PHENYL]PYRROL-1-YL]ETHANAMIDE'>310</scene></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=310:N-CARBAMIMIDOYL-2-[2-(2-CHLOROPHENYL)-5-[4-(4-ETHANOYLPHENOXY)PHENYL]PYRROL-1-YL]ETHANAMIDE'>310</scene></td></tr>
-	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[2qu2\|2qu2]], [[2qu3\|2qu3]]</td></tr>	+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[2qu2\|2qu2]], [[2qu3\|2qu3]]</div></td></tr>
-	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">BACE1, BACE ([~~http~~://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])</td></tr>	+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">BACE1, BACE ([https://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])</td></tr>
-	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[~~http~~://en.wikipedia.org/wiki/Memapsin_2 Memapsin 2], with EC number [~~http~~://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.23.46 3.4.23.46] </span></td></tr>	+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[https://en.wikipedia.org/wiki/Memapsin_2 Memapsin 2], with EC number [https://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.23.46 3.4.23.46] </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=2zdz FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2zdz OCA], [~~http~~://pdbe.org/2zdz PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=2zdz RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/2zdz PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=2zdz 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=2zdz FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2zdz OCA], [https://pdbe.org/2zdz PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2zdz RCSB], [https://www.ebi.ac.uk/pdbsum/2zdz PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2zdz ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
-	[[~~http~~://www.uniprot.org/uniprot/BACE1_HUMAN BACE1_HUMAN]] Responsible for the proteolytic processing of the amyloid precursor protein (APP). Cleaves at the N-terminus of the A-beta peptide sequence, between residues 671 and 672 of APP, leads to the generation and extracellular release of beta-cleaved soluble APP, and a corresponding cell-associated C-terminal fragment which is later released by gamma-secretase.<ref>PMID:10677483</ref> <ref>PMID:20354142</ref>	+	[[https://www.uniprot.org/uniprot/BACE1_HUMAN BACE1_HUMAN]] Responsible for the proteolytic processing of the amyloid precursor protein (APP). Cleaves at the N-terminus of the A-beta peptide sequence, between residues 671 and 672 of APP, leads to the generation and extracellular release of beta-cleaved soluble APP, and a corresponding cell-associated C-terminal fragment which is later released by gamma-secretase.<ref>PMID:10677483</ref> <ref>PMID:20354142</ref>
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
	[[Image:Consurf_key_small.gif\|200px\|right]]		[[Image:Consurf_key_small.gif\|200px\|right]]
Line 33:		Line 33:

	==See Also==		==See Also==
-	*[[Beta secretase\|Beta secretase]]	+	*[[Beta secretase 3D structures\|Beta secretase 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
Line 39:		Line 39:
	</StructureSection>		</StructureSection>
	[[Category: Human]]		[[Category: Human]]
		+	[[Category: Large Structures]]
	[[Category: Memapsin 2]]		[[Category: Memapsin 2]]
	[[Category: Chopra, R]]		[[Category: Chopra, R]]

OCA at 07:14, 18 October 2018

2018-10-18T07:14:30Z

←Older revision		Revision as of 07:14, 18 October 2018
Line 16:		Line 16:
	Check<jmol>		Check<jmol>
	<jmolCheckbox>		<jmolCheckbox>
-	<scriptWhenChecked>select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/zd/2zdz_consurf.spt"</scriptWhenChecked>	+	<scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/zd/2zdz_consurf.spt"</scriptWhenChecked>
	<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>		<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
	<text>to colour the structure by Evolutionary Conservation</text>		<text>to colour the structure by Evolutionary Conservation</text>
Line 43:		Line 43:
	[[Category: Olland, A]]		[[Category: Olland, A]]
	[[Category: Acylguanidine inhibitor]]		[[Category: Acylguanidine inhibitor]]
		+	[[Category: Alternative splicing]]
	[[Category: Aspartyl protease]]		[[Category: Aspartyl protease]]
	[[Category: Bace]]		[[Category: Bace]]

OCA at 00:32, 5 August 2016

2016-08-05T00:32:04Z

←Older revision		Revision as of 00:32, 5 August 2016
Line 1:		Line 1:
		+
	==X-ray structure of Bace-1 in complex with compound 3.b.10==		==X-ray structure of Bace-1 in complex with compound 3.b.10==
	<StructureSection load='2zdz' size='340' side='right' caption='[[2zdz]], [[Resolution\|resolution]] 2.00Å' scene=''>		<StructureSection load='2zdz' size='340' side='right' caption='[[2zdz]], [[Resolution\|resolution]] 2.00Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[2zdz]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/~~Homo_sapiens Homo sapiens~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2ZDZ OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2ZDZ FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[2zdz]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Human Human]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2ZDZ OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2ZDZ FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=310:N-CARBAMIMIDOYL-2-[2-(2-CHLOROPHENYL)-5-[4-(4-ETHANOYLPHENOXY)PHENYL]PYRROL-1-YL]ETHANAMIDE'>310</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=310:N-CARBAMIMIDOYL-2-[2-(2-CHLOROPHENYL)-5-[4-(4-ETHANOYLPHENOXY)PHENYL]PYRROL-1-YL]ETHANAMIDE'>310</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[2qu2\|2qu2]], [[2qu3\|2qu3]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[2qu2\|2qu2]], [[2qu3\|2qu3]]</td></tr>
-	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">BACE1, BACE ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 ~~Homo sapiens~~])</td></tr>	+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">BACE1, BACE ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])</td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Memapsin_2 Memapsin 2], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.23.46 3.4.23.46] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Memapsin_2 Memapsin 2], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.23.46 3.4.23.46] </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=2zdz FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2zdz OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2zdz RCSB], [http://www.ebi.ac.uk/pdbsum/2zdz 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=2zdz FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2zdz OCA], [http://pdbe.org/2zdz PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=2zdz RCSB], [http://www.ebi.ac.uk/pdbsum/2zdz PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=2zdz ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
Line 19:		Line 20:
	<text>to colour the structure by Evolutionary Conservation</text>		<text>to colour the structure by Evolutionary Conservation</text>
	</jmolCheckbox>		</jmolCheckbox>
-	</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary\|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/~~chain_selection~~.php?pdb_ID=~~2ata~~ ConSurf].	+	</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary\|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/main_output.php?pdb_ID=2zdz ConSurf].
	<div style="clear:both"></div>		<div style="clear:both"></div>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
Line 29:		Line 30:
	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 2zdz" style="background-color:#fffaf0;"></div>

	==See Also==		==See Also==
Line 36:		Line 38:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Homo sapiens~~]]	+	[[Category: Human]]
	[[Category: Memapsin 2]]		[[Category: Memapsin 2]]
	[[Category: Chopra, R]]		[[Category: Chopra, R]]

OCA at 14:23, 25 December 2014

2014-12-25T14:23:15Z

←Older revision		Revision as of 14:23, 25 December 2014
Line 3:		Line 3:
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[2zdz]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2ZDZ OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2ZDZ FirstGlance]. <br>		<table><tr><td colspan='2'>[[2zdz]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2ZDZ OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2ZDZ FirstGlance]. <br>
-	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=310:N-CARBAMIMIDOYL-2-[2-(2-CHLOROPHENYL)-5-[4-(4-ETHANOYLPHENOXY)PHENYL]PYRROL-1-YL]ETHANAMIDE'>310</scene><br>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=310:N-CARBAMIMIDOYL-2-[2-(2-CHLOROPHENYL)-5-[4-(4-ETHANOYLPHENOXY)PHENYL]PYRROL-1-YL]ETHANAMIDE'>310</scene></td></tr>
-	<tr><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[2qu2\|2qu2]], [[2qu3\|2qu3]]</td></tr>	+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[2qu2\|2qu2]], [[2qu3\|2qu3]]</td></tr>
-	<tr><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">BACE1, BACE ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens])</td></tr>	+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">BACE1, BACE ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens])</td></tr>
-	<tr><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Memapsin_2 Memapsin 2], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.23.46 3.4.23.46] </span></td></tr>	+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Memapsin_2 Memapsin 2], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.23.46 3.4.23.46] </span></td></tr>
-	<tr><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2zdz FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2zdz OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2zdz RCSB], [http://www.ebi.ac.uk/pdbsum/2zdz 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=2zdz FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2zdz OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2zdz RCSB], [http://www.ebi.ac.uk/pdbsum/2zdz PDBsum]</span></td></tr>
-	<table>	+	</table>
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/BACE1_HUMAN BACE1_HUMAN]] Responsible for the proteolytic processing of the amyloid precursor protein (APP). Cleaves at the N-terminus of the A-beta peptide sequence, between residues 671 and 672 of APP, leads to the generation and extracellular release of beta-cleaved soluble APP, and a corresponding cell-associated C-terminal fragment which is later released by gamma-secretase.<ref>PMID:10677483</ref> <ref>PMID:20354142</ref>
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
	[[Image:Consurf_key_small.gif\|200px\|right]]		[[Image:Consurf_key_small.gif\|200px\|right]]
Line 36:		Line 38:
	[[Category: Homo sapiens]]		[[Category: Homo sapiens]]
	[[Category: Memapsin 2]]		[[Category: Memapsin 2]]
-	[[Category: Chopra, R.]]	+	[[Category: Chopra, R]]
-	[[Category: Olland, A.]]	+	[[Category: Olland, A]]
	[[Category: Acylguanidine inhibitor]]		[[Category: Acylguanidine inhibitor]]
	[[Category: Aspartyl protease]]		[[Category: Aspartyl protease]]

OCA at 09:00, 29 September 2014

2014-09-29T09:00:48Z

←Older revision		Revision as of 09:00, 29 September 2014
Line 1:		Line 1:
-	[[~~Image:~~2zdz.~~png~~\|~~left~~\|200px]]	+	==X-ray structure of Bace-1 in complex with compound 3.b.10==
		+	<StructureSection load='2zdz' size='340' side='right' caption='[[2zdz]], [[Resolution\|resolution]] 2.00Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[2zdz]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2ZDZ OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2ZDZ FirstGlance]. <br>
		+	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=310:N-CARBAMIMIDOYL-2-[2-(2-CHLOROPHENYL)-5-[4-(4-ETHANOYLPHENOXY)PHENYL]PYRROL-1-YL]ETHANAMIDE'>310</scene><br>
		+	<tr><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[2qu2\|2qu2]], [[2qu3\|2qu3]]</td></tr>
		+	<tr><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">BACE1, BACE ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens])</td></tr>
		+	<tr><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Memapsin_2 Memapsin 2], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.23.46 3.4.23.46] </span></td></tr>
		+	<tr><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2zdz FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2zdz OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2zdz RCSB], [http://www.ebi.ac.uk/pdbsum/2zdz PDBsum]</span></td></tr>
		+	<table>
		+	== Evolutionary Conservation ==
		+	[[Image:Consurf_key_small.gif\|200px\|right]]
		+	Check<jmol>
		+	<jmolCheckbox>
		+	<scriptWhenChecked>select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/zd/2zdz_consurf.spt"</scriptWhenChecked>
		+	<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
		+	<text>to colour the structure by Evolutionary Conservation</text>
		+	</jmolCheckbox>
		+	</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary\|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/chain_selection.php?pdb_ID=2ata ConSurf].
		+	<div style="clear:both"></div>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Proteolytic cleavage of amyloid precursor protein by beta-secretase (BACE-1) and gamma-secretase leads to formation of beta-amyloid (A beta) a key component of amyloid plaques, which are considered the hallmark of Alzheimer's disease. Small molecule inhibitors of BACE-1 may reduce levels of A beta and thus have therapeutic potential for treating Alzheimer's disease. We recently reported the identification of a novel small molecule BACE-1 inhibitor N-[2-(2,5-diphenyl-pyrrol-1-yl)-acetyl]guanidine (3.a.1). We report here the initial hit-to-lead optimization of this hit and the SAR around the aryl groups occupying the S(1) and S(2') pockets leading to submicromolar BACE-1 inhibitors.

-	~~{{STRUCTURE_2zdz\| PDB=2zdz \| SCENE= }}~~	+	Acylguanidine inhibitors of beta-secretase: optimization of the pyrrole ring substituents extending into the S1 and S3 substrate binding pockets.,Cole DC, Stock JR, Chopra R, Cowling R, Ellingboe JW, Fan KY, Harrison BL, Hu Y, Jacobsen S, Jennings LD, Jin G, Lohse PA, Malamas MS, Manas ES, Moore WJ, O'Donnell MM, Olland AM, Robichaud AJ, Svenson K, Wu J, Wagner E, Bard J Bioorg Med Chem Lett. 2008 Feb 1;18(3):1063-6. Epub 2007 Dec 10. PMID:18162398<ref>PMID:18162398</ref>

-	~~===X-ray structure~~ of ~~Bace-1 in complex with compound 3~~.b.~~10===~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-		+	</div>
-	~~{{ABSTRACT_PUBMED_18162398}}~~	+
-		+
-	~~==About this Structure==~~	+
-	~~[[2zdz]] is a 1 chain structure with sequence from [http:~~/~~/en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2ZDZ OCA].~~	+

	==See Also==		==See Also==
	*[[Beta secretase\|Beta secretase]]		*[[Beta secretase\|Beta secretase]]
-		+	== References ==
-	==~~Reference~~==	+	<references/>
-	<~~ref group="xtra">PMID:018162398<~~/~~ref~~><~~references group="xtra"~~/>	+	__TOC__
		+	</StructureSection>
	[[Category: Homo sapiens]]		[[Category: Homo sapiens]]
	[[Category: Memapsin 2]]		[[Category: Memapsin 2]]

OCA at 17:46, 20 October 2012

2012-10-20T17:46:54Z

←Older revision		Revision as of 17:46, 20 October 2012
Line 8:		Line 8:

	==About this Structure==		==About this Structure==
-	[[2zdz]] is a 1 chain structure ~~of [[Beta secretase]]~~ with sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2ZDZ OCA].	+	[[2zdz]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2ZDZ OCA].

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

OCA: Protected "2zdz" [edit=sysop:move=sysop]

2012-07-27T01:58:22Z

Protected "2zdz" [edit=sysop:move=sysop]

←Older revision

Revision as of 01:58, 27 July 2012

OCA at 01:58, 27 July 2012

2012-07-27T01:58:18Z

←Older revision		Revision as of 01:58, 27 July 2012
Line 1:		Line 1:
-	~~{{Seed}}~~	+	[[Image:2zdz.png\|left\|200px]]
-	[[Image:2zdz.~~jpg~~\|left\|200px]]	+

-	<!--
-	The line below this paragraph, containing "STRUCTURE_2zdz", 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_2zdz\| PDB=2zdz \| SCENE= }}		{{STRUCTURE_2zdz\| PDB=2zdz \| SCENE= }}

	===X-ray structure of Bace-1 in complex with compound 3.b.10===		===X-ray structure of Bace-1 in complex with compound 3.b.10===

-
-	<!--
-	The line below this paragraph, {{ABSTRACT_PUBMED_18162398}}, adds the Publication Abstract to the page
-	(as it appears on PubMed at http://www.pubmed.gov), where 18162398 is the PubMed ID number.
-	-->
	{{ABSTRACT_PUBMED_18162398}}		{{ABSTRACT_PUBMED_18162398}}

	==About this Structure==		==About this Structure==
-	~~2ZDZ~~ is a 1 chain structure of sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2ZDZ OCA].	+	[[2zdz]] is a 1 chain structure of [[Beta secretase]] with sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2ZDZ OCA].
		+
		+	==See Also==
		+	*[[Beta secretase\|Beta secretase]]

	==Reference==		==Reference==
-	Acylguanidine inhibitors of beta-secretase: optimization of the pyrrole ring substituents extending into the S1 and S3 substrate binding pockets., Cole DC, Stock JR, Chopra R, Cowling R, Ellingboe JW, Fan KY, Harrison BL, Hu Y, Jacobsen S, Jennings LD, Jin G, Lohse PA, Malamas MS, Manas ES, Moore WJ, O'Donnell MM, Olland AM, Robichaud AJ, Svenson K, Wu J, Wagner E, Bard J, Bioorg Med Chem Lett. 2008 Feb 1;18(3):1063-6. Epub 2007 Dec 10. PMID:~~[http://www.ncbi.nlm.nih.gov~~/~~pubmed~~/~~18162398 18162398]~~	+	<ref group="xtra">PMID:018162398</ref><references group="xtra"/>
	[[Category: Homo sapiens]]		[[Category: Homo sapiens]]
	[[Category: Memapsin 2]]		[[Category: Memapsin 2]]
Line 29:		Line 20:
	[[Category: Olland, A.]]		[[Category: Olland, A.]]
	[[Category: Acylguanidine inhibitor]]		[[Category: Acylguanidine inhibitor]]
-	[[Category: Alternative splicing]]
	[[Category: Aspartyl protease]]		[[Category: Aspartyl protease]]
	[[Category: Bace]]		[[Category: Bace]]
Line 37:		Line 27:
	[[Category: Transmembrane]]		[[Category: Transmembrane]]
	[[Category: Zymogen]]		[[Category: Zymogen]]
-
-	''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed Dec 10 14:57:26 2008''

OCA at 12:57, 10 December 2008

2008-12-10T12:57:27Z

←Older revision		Revision as of 12:57, 10 December 2008
Line 1:		Line 1:
-	~~'''Unreleased structure'''~~	+	{{Seed}}
		+	[[Image:2zdz.jpg\|left\|200px]]

-	The ~~entry 2zdz~~ is ~~ON HOLD~~ ~~until Dec 04 2009~~	+	<!--
		+	The line below this paragraph, containing "STRUCTURE_2zdz", 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_2zdz\| PDB=2zdz \| SCENE= }}

-	~~Authors: Cole, D~~.C., Stock, J.R., Chopra, R., Cowling, R., Ellingboe, J.W., Fan, K.Y., Harrison, B.L., Hu, Y., Jacobsen, S., Jennings, L.D., Jin, G., Lohse, P.A., Malamas, M.S., Manas, E.S., Moore, W.J., O'Donnell, M., Robichaud, A.J., Svenson, K., Wu, J., Wagner,	+	===X-ray structure of Bace-1 in complex with compound 3.b.10===

-	Description: X-ray structure of Bace-1 in complex with compound 3.b.10

		+	<!--
		+	The line below this paragraph, {{ABSTRACT_PUBMED_18162398}}, adds the Publication Abstract to the page
		+	(as it appears on PubMed at http://www.pubmed.gov), where 18162398 is the PubMed ID number.
		+	-->
		+	{{ABSTRACT_PUBMED_18162398}}

-	''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed ~~Jun 11 09~~:07:47 2008''	+	==About this Structure==
		+	2ZDZ is a 1 chain structure of sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2ZDZ OCA].
		+
		+	==Reference==
		+	Acylguanidine inhibitors of beta-secretase: optimization of the pyrrole ring substituents extending into the S1 and S3 substrate binding pockets., Cole DC, Stock JR, Chopra R, Cowling R, Ellingboe JW, Fan KY, Harrison BL, Hu Y, Jacobsen S, Jennings LD, Jin G, Lohse PA, Malamas MS, Manas ES, Moore WJ, O'Donnell MM, Olland AM, Robichaud AJ, Svenson K, Wu J, Wagner E, Bard J, Bioorg Med Chem Lett. 2008 Feb 1;18(3):1063-6. Epub 2007 Dec 10. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/18162398 18162398]
		+	[[Category: Homo sapiens]]
		+	[[Category: Memapsin 2]]
		+	[[Category: Chopra, R.]]
		+	[[Category: Olland, A.]]
		+	[[Category: Acylguanidine inhibitor]]
		+	[[Category: Alternative splicing]]
		+	[[Category: Aspartyl protease]]
		+	[[Category: Bace]]
		+	[[Category: Glycoprotein]]
		+	[[Category: Hydrolase]]
		+	[[Category: Membrane]]
		+	[[Category: Transmembrane]]
		+	[[Category: Zymogen]]
		+
		+	''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed Dec 10 14:57:26 2008''

OCA: New page: '''Unreleased structure''' The entry 2zdz is ON HOLD until Dec 04 2009 Authors: Cole, D.C., Stock, J.R., Chopra, R., Cowling, R., Ellingboe, J.W., Fan, K.Y., Harrison, B.L., Hu, Y., Jac...

2008-06-11T06:07:47Z

New page: '''Unreleased structure''' The entry 2zdz is ON HOLD until Dec 04 2009 Authors: Cole, D.C., Stock, J.R., Chopra, R., Cowling, R., Ellingboe, J.W., Fan, K.Y., Harrison, B.L., Hu, Y., Jac...

New page

'''Unreleased structure'''

The entry 2zdz is ON HOLD until Dec 04 2009

Authors: Cole, D.C., Stock, J.R., Chopra, R., Cowling, R., Ellingboe, J.W., Fan, K.Y., Harrison, B.L., Hu, Y., Jacobsen, S., Jennings, L.D., Jin, G., Lohse, P.A., Malamas, M.S., Manas, E.S., Moore, W.J., O'Donnell, M., Robichaud, A.J., Svenson, K., Wu, J., Wagner,

Description: X-ray structure of Bace-1 in complex with compound 3.b.10

''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed Jun 11 09:07:47 2008''