3kn0 - Revision history

OCA at 08:19, 6 September 2023

2023-09-06T08:19:33Z

←Older revision		Revision as of 08:19, 6 September 2023
Line 1:		Line 1:

	==Structure of BACE bound to SCH708236==		==Structure of BACE bound to SCH708236==
-	<StructureSection load='3kn0' size='340' side='right' caption='[[3kn0]], [[Resolution\|resolution]] 1.90Å' scene=''>	+	<StructureSection load='3kn0' size='340' side='right'caption='[[3kn0]], [[Resolution\|resolution]] 1.90Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[3kn0]] is a 2 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=3KN0 OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=3KN0 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[3kn0]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3KN0 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3KN0 FirstGlance]. <br>
-	</td></tr><tr id='~~ligand~~'><td class="sblockLbl"><b>[[~~Ligand~~\|~~Ligands~~:]]</b></td><td class="sblockDat">~~<scene name='pdbligand=3TO:3~~-[~~2-(3-{~~[~~(FURAN-2-YLMETHYL)(METHYL)AMINO~~]~~METHYL}PHENYL)ETHYL~~]~~PYRIDIN-2-AMINE'>3TO</scene>, <scene name='pdbligand=TLA:L(+)-TARTARIC+ACID'>TLA</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]] 1.9Å</td></tr>
-	<tr id='~~related~~'><td class="sblockLbl"><b>[[~~Related_structure~~\|~~Related~~:]]</b></td><td class="sblockDat"~~>[[3kmx\|3kmx]], [[3kmy\|3kmy]]</td></tr>~~	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=3TO:3-[2-(3-{[(FURAN-2-YLMETHYL)(METHYL)AMINO]METHYL}PHENYL)ETHYL]PYRIDIN-2-AMINE'>3TO</scene>, <scene name='pdbligand=TLA:L(+)-TARTARIC+ACID'>TLA</scene></td></tr>
-	~~<tr~~ id~~='gene'><td class~~="~~sblockLbl~~"><b>[[~~Gene\|Gene:~~]]~~</b~~></td>~~<td class="sblockDat">BACE~~, ~~BACE1, KIAA1149 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])~~<~~/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=3kn0 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3kn0 OCA], [https://pdbe.org/3kn0 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3kn0 RCSB], [https://www.ebi.ac.uk/pdbsum/3kn0 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3kn0 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/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=3kn0 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3kn0 OCA], [~~http~~://pdbe.org/3kn0 PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=3kn0 RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/3kn0 PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=3kn0 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]]
	Check<jmol>		Check<jmol>
	<jmolCheckbox>		<jmolCheckbox>
-	<scriptWhenChecked>select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/kn/3kn0_consurf.spt"</scriptWhenChecked>	+	<scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/kn/3kn0_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 31:		Line 29:
	</div>		</div>
	<div class="pdbe-citations 3kn0" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 3kn0" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Beta secretase 3D structures\|Beta secretase 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Human~~]]	+	[[Category: Homo sapiens]]
-	[[Category: ~~Memapsin 2~~]]	+	[[Category: Large Structures]]
-	[[Category: Strickland, C]]	+	[[Category: Strickland C]]
-	[[Category: Wang, Y]]	+	[[Category: Wang Y]]
-	~~[[Category: Alternative splicing]]~~	+
-	~~[[Category: Alzheimers']]~~	+
-	~~[[Category: Aspartyl protease]]~~	+
-	~~[[Category: Bace1]]~~	+
-	~~[[Category: Disulfide bond]]~~	+
-	~~[[Category: Endoplasmic reticulum]]~~	+
-	~~[[Category: Endosome]]~~	+
-	~~[[Category: Glycoprotein]]~~	+
-	~~[[Category: Golgi apparatus]]~~	+
-	~~[[Category: Hydrolase]]~~	+
-	~~[[Category: Membrane]]~~	+
-	~~[[Category: Polymorphism]]~~	+
-	~~[[Category: Protease]]~~	+
-	~~[[Category: Transmembrane]]~~	+
-	~~[[Category: Zymogen~~]]	+

OCA at 08:36, 1 November 2017

2017-11-01T08:36:34Z

←Older revision		Revision as of 08:36, 1 November 2017
Line 31:		Line 31:
	</div>		</div>
	<div class="pdbe-citations 3kn0" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 3kn0" style="background-color:#fffaf0;"></div>
-
-	==See Also==
-	*[[Beta secretase\|Beta secretase]]
	== References ==		== References ==
	<references/>		<references/>
Line 42:		Line 39:
	[[Category: Strickland, C]]		[[Category: Strickland, C]]
	[[Category: Wang, Y]]		[[Category: Wang, Y]]
		+	[[Category: Alternative splicing]]
	[[Category: Alzheimers']]		[[Category: Alzheimers']]
	[[Category: Aspartyl protease]]		[[Category: Aspartyl protease]]
Line 52:		Line 50:
	[[Category: Hydrolase]]		[[Category: Hydrolase]]
	[[Category: Membrane]]		[[Category: Membrane]]
		+	[[Category: Polymorphism]]
	[[Category: Protease]]		[[Category: Protease]]
	[[Category: Transmembrane]]		[[Category: Transmembrane]]
	[[Category: Zymogen]]		[[Category: Zymogen]]

OCA at 21:02, 4 August 2016

2016-08-04T21:02:50Z

←Older revision		Revision as of 21:02, 4 August 2016
Line 1:		Line 1:
		+
	==Structure of BACE bound to SCH708236==		==Structure of BACE bound to SCH708236==
	<StructureSection load='3kn0' size='340' side='right' caption='[[3kn0]], [[Resolution\|resolution]] 1.90Å' scene=''>		<StructureSection load='3kn0' size='340' side='right' caption='[[3kn0]], [[Resolution\|resolution]] 1.90Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[3kn0]] is a 2 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=3KN0 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3KN0 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[3kn0]] is a 2 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=3KN0 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3KN0 FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=3TO:3-[2-(3-{[(FURAN-2-YLMETHYL)(METHYL)AMINO]METHYL}PHENYL)ETHYL]PYRIDIN-2-AMINE'>3TO</scene>, <scene name='pdbligand=TLA:L(+)-TARTARIC+ACID'>TLA</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=3TO:3-[2-(3-{[(FURAN-2-YLMETHYL)(METHYL)AMINO]METHYL}PHENYL)ETHYL]PYRIDIN-2-AMINE'>3TO</scene>, <scene name='pdbligand=TLA:L(+)-TARTARIC+ACID'>TLA</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3kmx\|3kmx]], [[3kmy\|3kmy]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3kmx\|3kmx]], [[3kmy\|3kmy]]</td></tr>
-	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">BACE, BACE1, KIAA1149 ([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">BACE, BACE1, KIAA1149 ([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=3kn0 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3kn0 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3kn0 RCSB], [http://www.ebi.ac.uk/pdbsum/3kn0 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=3kn0 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3kn0 OCA], [http://pdbe.org/3kn0 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=3kn0 RCSB], [http://www.ebi.ac.uk/pdbsum/3kn0 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=3kn0 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=3kn0 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 3kn0" 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: Strickland, C]]		[[Category: Strickland, C]]

OCA at 13:08, 25 December 2014

2014-12-25T13:08:09Z

←Older revision		Revision as of 13:08, 25 December 2014
Line 3:		Line 3:
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[3kn0]] is a 2 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=3KN0 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3KN0 FirstGlance]. <br>		<table><tr><td colspan='2'>[[3kn0]] is a 2 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=3KN0 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3KN0 FirstGlance]. <br>
-	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=3TO:3-[2-(3-{[(FURAN-2-YLMETHYL)(METHYL)AMINO]METHYL}PHENYL)ETHYL]PYRIDIN-2-AMINE'>3TO</scene>, <scene name='pdbligand=TLA:L(+)-TARTARIC+ACID'>TLA</scene><br>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=3TO:3-[2-(3-{[(FURAN-2-YLMETHYL)(METHYL)AMINO]METHYL}PHENYL)ETHYL]PYRIDIN-2-AMINE'>3TO</scene>, <scene name='pdbligand=TLA:L(+)-TARTARIC+ACID'>TLA</scene></td></tr>
-	<tr><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3kmx\|3kmx]], [[3kmy\|3kmy]]</td></tr>	+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3kmx\|3kmx]], [[3kmy\|3kmy]]</td></tr>
-	<tr><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">BACE, BACE1, KIAA1149 ([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">BACE, BACE1, KIAA1149 ([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=3kn0 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3kn0 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3kn0 RCSB], [http://www.ebi.ac.uk/pdbsum/3kn0 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=3kn0 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3kn0 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3kn0 RCSB], [http://www.ebi.ac.uk/pdbsum/3kn0 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: Strickland, C.]]	+	[[Category: Strickland, C]]
-	[[Category: Wang, Y.]]	+	[[Category: Wang, Y]]
	[[Category: Alzheimers']]		[[Category: Alzheimers']]
	[[Category: Aspartyl protease]]		[[Category: Aspartyl protease]]

OCA at 13:36, 29 September 2014

2014-09-29T13:36:59Z

←Older revision		Revision as of 13:36, 29 September 2014
Line 1:		Line 1:
-	[[~~Image:~~3kn0.~~png~~\|~~left~~\|200px]]	+	==Structure of BACE bound to SCH708236==
		+	<StructureSection load='3kn0' size='340' side='right' caption='[[3kn0]], [[Resolution\|resolution]] 1.90Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[3kn0]] is a 2 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=3KN0 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3KN0 FirstGlance]. <br>
		+	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=3TO:3-[2-(3-{[(FURAN-2-YLMETHYL)(METHYL)AMINO]METHYL}PHENYL)ETHYL]PYRIDIN-2-AMINE'>3TO</scene>, <scene name='pdbligand=TLA:L(+)-TARTARIC+ACID'>TLA</scene><br>
		+	<tr><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3kmx\|3kmx]], [[3kmy\|3kmy]]</td></tr>
		+	<tr><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">BACE, BACE1, KIAA1149 ([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=3kn0 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3kn0 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3kn0 RCSB], [http://www.ebi.ac.uk/pdbsum/3kn0 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/kn/3kn0_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 ==
		+	Fragment-based NMR screening, X-ray crystallography, structure-based design, and focused chemical library design were used to identify novel inhibitors for BACE-1. A rapid optimization of an initial NMR hit was achieved by a combination of NMR and a functional assay, resulting in the identification of an isothiourea hit with a K(d) of 15 muM for BACE-1. NMR data and the crystal structure revealed that this hit makes H-bond interactions with the two catalytic aspartates, occupies the nonprime side region of the active site of BACE-1, and extends toward the S3 subpocket (S3sp). A focused NMR-based search for heterocyclic isothiourea isosteres resulted in several distinct classes of BACE-1 active site directed compounds with improved chemical stability and physicochemical properties. The strategy for optimization of the 2-aminopyridine lead series to potent inhibitors of BACE-1 was demonstrated. The structure-based design of a cyclic acylguanidine lead series and its optimization into nanomolar BACE-1 inhibitors are the subject of the companion paper ( J. Med. Chem. 2010 , 53 , DOI: 10.1021/jm901408p ).

-	~~{{STRUCTURE_3kn0\| PDB=3kn0 \| SCENE= }}~~	+	Application of Fragment-Based NMR Screening, X-ray Crystallography, Structure-Based Design, and Focused Chemical Library Design to Identify Novel muM Leads for the Development of nM BACE-1 (beta-Site APP Cleaving Enzyme 1) Inhibitors.,Wang YS, Strickland C, Voigt JH, Kennedy ME, Beyer BM, Senior MM, Smith EM, Nechuta TL, Madison VS, Czarniecki M, McKittrick BA, Stamford AW, Parker EM, Hunter JC, Greenlee WJ, Wyss DF J Med Chem. 2009 Dec 31. PMID:20043700<ref>PMID:20043700</ref>

-	~~===Structure~~ of ~~BACE bound to SCH708236===~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-		+	</div>
-	~~{{ABSTRACT_PUBMED_20043700}}~~	+
-		+
-	~~==About this Structure==~~	+
-	~~[[3kn0]] is a 2 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=3KN0 OCA].~~	+

	==See Also==		==See Also==
	*[[Beta secretase\|Beta secretase]]		*[[Beta secretase\|Beta secretase]]
-		+	== References ==
-	==~~Reference~~==	+	<references/>
-	<~~ref group="xtra">PMID:020043700<~~/~~ref~~><~~references group="xtra"~~/>	+	__TOC__
		+	</StructureSection>
	[[Category: Homo sapiens]]		[[Category: Homo sapiens]]
	[[Category: Memapsin 2]]		[[Category: Memapsin 2]]

OCA at 17:03, 20 October 2012

2012-10-20T17:03:14Z

←Older revision		Revision as of 17:03, 20 October 2012
Line 8:		Line 8:

	==About this Structure==		==About this Structure==
-	[[3kn0]] is a 2 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=3KN0 OCA].	+	[[3kn0]] is a 2 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=3KN0 OCA].

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

OCA: Protected "3kn0" [edit=sysop:move=sysop]

2012-07-26T23:40:43Z

Protected "3kn0" [edit=sysop:move=sysop]

←Older revision

Revision as of 23:40, 26 July 2012

OCA at 23:40, 26 July 2012

2012-07-26T23:40:42Z

←Older revision		Revision as of 23:40, 26 July 2012
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-	{{Seed}}
	[[Image:3kn0.png\|left\|200px]]		[[Image:3kn0.png\|left\|200px]]

-	<!--
-	The line below this paragraph, containing "STRUCTURE_3kn0", 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_3kn0\| PDB=3kn0 \| SCENE= }}		{{STRUCTURE_3kn0\| PDB=3kn0 \| SCENE= }}

	===Structure of BACE bound to SCH708236===		===Structure of BACE bound to SCH708236===

-
-	<!--
-	The line below this paragraph, {{ABSTRACT_PUBMED_20043700}}, adds the Publication Abstract to the page
-	(as it appears on PubMed at http://www.pubmed.gov), where 20043700 is the PubMed ID number.
-	-->
	{{ABSTRACT_PUBMED_20043700}}		{{ABSTRACT_PUBMED_20043700}}

	==About this Structure==		==About this Structure==
-	~~3KN0~~ is a 2 ~~chains~~ structure with ~~sequences~~ 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=3KN0 OCA].	+	[[3kn0]] is a 2 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=3KN0 OCA].
		+
		+	==See Also==
		+	*[[Beta secretase\|Beta secretase]]

	==Reference==		==Reference==
-	<ref group="xtra">PMID:~~20043700~~</ref><references group="xtra"/>	+	<ref group="xtra">PMID:020043700</ref><references group="xtra"/>
	[[Category: Homo sapiens]]		[[Category: Homo sapiens]]
	[[Category: Memapsin 2]]		[[Category: Memapsin 2]]
	[[Category: Strickland, C.]]		[[Category: Strickland, C.]]
	[[Category: Wang, Y.]]		[[Category: Wang, Y.]]
-	[[Category: Alternative splicing]]
	[[Category: Alzheimers']]		[[Category: Alzheimers']]
	[[Category: Aspartyl protease]]		[[Category: Aspartyl protease]]
Line 39:		Line 29:
	[[Category: Hydrolase]]		[[Category: Hydrolase]]
	[[Category: Membrane]]		[[Category: Membrane]]
-	[[Category: Polymorphism]]
	[[Category: Protease]]		[[Category: Protease]]
	[[Category: Transmembrane]]		[[Category: Transmembrane]]
	[[Category: Zymogen]]		[[Category: Zymogen]]
-
-	''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed Feb 17 09:55:44 2010''

OCA at 07:55, 17 February 2010

2010-02-17T07:55:44Z

←Older revision		Revision as of 07:55, 17 February 2010
Line 1:		Line 1:
	{{Seed}}		{{Seed}}
-	[[Image:3kn0.~~jpg~~\|left\|200px]]	+	[[Image:3kn0.png\|left\|200px]]

	<!--		<!--
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	[[Category: Zymogen]]		[[Category: Zymogen]]

-	''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed ~~Jan 20 16~~:01:39 2010''	+	''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed Feb 17 09:55:44 2010''

OCA at 14:01, 20 January 2010

2010-01-20T14:01:40Z

←Older revision		Revision as of 14:01, 20 January 2010
Line 1:		Line 1:
-	~~'''Unreleased structure'''~~	+	{{Seed}}
		+	[[Image:3kn0.jpg\|left\|200px]]

-	The ~~entry 3kn0~~ is ~~ON HOLD~~ ~~until Paper Publication~~	+	<!--
		+	The line below this paragraph, containing "STRUCTURE_3kn0", 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_3kn0\| PDB=3kn0 \| SCENE= }}

-	~~Authors: Strickland, C., Wang, Y.~~	+	===Structure of BACE bound to SCH708236===

-	Description: Structure of BACE bound to SCH708236

-	''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed ~~Dec 2 09~~:38:~~37 2009~~''	+	<!--
		+	The line below this paragraph, {{ABSTRACT_PUBMED_20043700}}, adds the Publication Abstract to the page
		+	(as it appears on PubMed at http://www.pubmed.gov), where 20043700 is the PubMed ID number.
		+	-->
		+	{{ABSTRACT_PUBMED_20043700}}
		+
		+	==About this Structure==
		+	3KN0 is a 2 chains structure with sequences 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=3KN0 OCA].
		+
		+	==Reference==
		+	<ref group="xtra">PMID:20043700</ref><references group="xtra"/>
		+	[[Category: Homo sapiens]]
		+	[[Category: Memapsin 2]]
		+	[[Category: Strickland, C.]]
		+	[[Category: Wang, Y.]]
		+	[[Category: Alternative splicing]]
		+	[[Category: Alzheimers']]
		+	[[Category: Aspartyl protease]]
		+	[[Category: Bace1]]
		+	[[Category: Disulfide bond]]
		+	[[Category: Endoplasmic reticulum]]
		+	[[Category: Endosome]]
		+	[[Category: Glycoprotein]]
		+	[[Category: Golgi apparatus]]
		+	[[Category: Hydrolase]]
		+	[[Category: Membrane]]
		+	[[Category: Polymorphism]]
		+	[[Category: Protease]]
		+	[[Category: Transmembrane]]
		+	[[Category: Zymogen]]
		+
		+	''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed Jan 20 16:01:39 2010''