3ine - Revision history

OCA at 07:54, 6 September 2023

OCA — Wed, 06 Sep 2023 07:54:02 GMT

←Older revision		Revision as of 07:54, 6 September 2023
Line 3:		Line 3:
	<StructureSection load='3ine' size='340' side='right'caption='[[3ine]], [[Resolution\|resolution]] 2.00Å' scene=''>		<StructureSection load='3ine' size='340' side='right'caption='[[3ine]], [[Resolution\|resolution]] 2.00Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[3ine]] 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=3INE OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3INE FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[3ine]] is a 1 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=3INE OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3INE FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=X17:(5S)-2-AMINO-5-(4-METHOXY-3-METHYLPHENYL)-3-METHYL-5-[(3S,5S,7S)-TRICYCLO[3.3.1.1~3,7~]DEC-1-YL]-3,5-DIHYDRO-4H-IMIDAZOL-4-ONE'>X17</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]] 1.996Å</td></tr>
-	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[3ind\|3ind]], [[3inf\|3inf]], [[3inh\|3inh]]</div></td></tr>	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=X17:(5S)-2-AMINO-5-(4-METHOXY-3-METHYLPHENYL)-3-METHYL-5-[(3S,5S,7S)-TRICYCLO[3.3.1.1~3,7~]DEC-1-YL]-3,5-DIHYDRO-4H-IMIDAZOL-4-ONE'>X17</scene></td></tr>
-	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">BACE1, BACE, KIAA1149 ([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'>[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'>[https://proteopedia.org/fgij/fg.htm?mol=3ine FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3ine OCA], [https://pdbe.org/3ine PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3ine RCSB], [https://www.ebi.ac.uk/pdbsum/3ine PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3ine 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=3ine FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3ine OCA], [https://pdbe.org/3ine PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3ine RCSB], [https://www.ebi.ac.uk/pdbsum/3ine PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3ine ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
-	[[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>	+	[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 38:		Line 36:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Human~~]]	+	[[Category: Homo sapiens]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	~~[[Category: Memapsin 2]]~~	+	[[Category: Chopra R]]
-	[[Category: Chopra, R]]	+	[[Category: Olland AM]]
-	[[Category: Olland~~, A M]]~~	+
-	~~[[Category: Alternative splicing]]~~	+
-	~~[[Category: Aspartyl protease]]~~	+
-	~~[[Category: Bace1]]~~	+
-	~~[[Category: Disulfide bond]]~~	+
-	~~[[Category: Glycoprotein]]~~	+
-	~~[[Category: Hydrolase]]~~	+
-	~~[[Category: Inhibitor]]~~	+
-	~~[[Category: Membrane]]~~	+
-	~~[[Category: Polymorphism]]~~	+
-	~~[[Category: Protease]]~~	+
-	~~[[Category: Transmembrane]]~~	+
-	~~[[Category: Xray]]~~	+
-	~~[[Category: Zymogen~~]]	+

OCA at 03:37, 21 April 2022

OCA — Thu, 21 Apr 2022 03:37:03 GMT

←Older revision		Revision as of 03:37, 21 April 2022
Line 1:		Line 1:

	==Bace1 with the aminohydantoin Compound S-34==		==Bace1 with the aminohydantoin Compound S-34==
-	<StructureSection load='3ine' size='340' side='right' caption='[[3ine]], [[Resolution\|resolution]] 2.00Å' scene=''>	+	<StructureSection load='3ine' size='340' side='right'caption='[[3ine]], [[Resolution\|resolution]] 2.00Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[3ine]] 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=3INE OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=3INE FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[3ine]] 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=3INE OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3INE FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=X17:(5S)-2-AMINO-5-(4-METHOXY-3-METHYLPHENYL)-3-METHYL-5-[(3S,5S,7S)-TRICYCLO[3.3.1.1~3,7~]DEC-1-YL]-3,5-DIHYDRO-4H-IMIDAZOL-4-ONE'>X17</scene></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=X17:(5S)-2-AMINO-5-(4-METHOXY-3-METHYLPHENYL)-3-METHYL-5-[(3S,5S,7S)-TRICYCLO[3.3.1.1~3,7~]DEC-1-YL]-3,5-DIHYDRO-4H-IMIDAZOL-4-ONE'>X17</scene></td></tr>
-	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3ind\|3ind]], [[3inf\|3inf]], [[3inh\|3inh]]</td></tr>	+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[3ind\|3ind]], [[3inf\|3inf]], [[3inh\|3inh]]</div></td></tr>
-	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">BACE1, BACE, KIAA1149 ([~~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, KIAA1149 ([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=3ine FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3ine OCA], [~~http~~://pdbe.org/3ine PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=3ine RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/3ine PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=3ine 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=3ine FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3ine OCA], [https://pdbe.org/3ine PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3ine RCSB], [https://www.ebi.ac.uk/pdbsum/3ine PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3ine 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 09:39, 19 December 2018

OCA — Wed, 19 Dec 2018 09:39:36 GMT

←Older revision		Revision as of 09:39, 19 December 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/in/3ine_consurf.spt"</scriptWhenChecked>	+	<scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/in/3ine_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 42:		Line 42:
	[[Category: Chopra, R]]		[[Category: Chopra, R]]
	[[Category: Olland, A M]]		[[Category: Olland, A M]]
		+	[[Category: Alternative splicing]]
	[[Category: Aspartyl protease]]		[[Category: Aspartyl protease]]
	[[Category: Bace1]]		[[Category: Bace1]]
Line 49:		Line 50:
	[[Category: Inhibitor]]		[[Category: Inhibitor]]
	[[Category: Membrane]]		[[Category: Membrane]]
		+	[[Category: Polymorphism]]
	[[Category: Protease]]		[[Category: Protease]]
	[[Category: Transmembrane]]		[[Category: Transmembrane]]
	[[Category: Xray]]		[[Category: Xray]]
	[[Category: Zymogen]]		[[Category: Zymogen]]

OCA at 14:46, 5 August 2016

OCA — Fri, 05 Aug 2016 14:46:48 GMT

←Older revision		Revision as of 14:46, 5 August 2016
Line 1:		Line 1:
		+
	==Bace1 with the aminohydantoin Compound S-34==		==Bace1 with the aminohydantoin Compound S-34==
	<StructureSection load='3ine' size='340' side='right' caption='[[3ine]], [[Resolution\|resolution]] 2.00Å' scene=''>		<StructureSection load='3ine' size='340' side='right' caption='[[3ine]], [[Resolution\|resolution]] 2.00Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[3ine]] 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=3INE OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3INE FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[3ine]] 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=3INE OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3INE FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=X17:(5S)-2-AMINO-5-(4-METHOXY-3-METHYLPHENYL)-3-METHYL-5-[(3S,5S,7S)-TRICYCLO[3.3.1.1~3,7~]DEC-1-YL]-3,5-DIHYDRO-4H-IMIDAZOL-4-ONE'>X17</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=X17:(5S)-2-AMINO-5-(4-METHOXY-3-METHYLPHENYL)-3-METHYL-5-[(3S,5S,7S)-TRICYCLO[3.3.1.1~3,7~]DEC-1-YL]-3,5-DIHYDRO-4H-IMIDAZOL-4-ONE'>X17</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3ind\|3ind]], [[3inf\|3inf]], [[3inh\|3inh]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3ind\|3ind]], [[3inf\|3inf]], [[3inh\|3inh]]</td></tr>
-	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">BACE1, BACE, 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">BACE1, BACE, 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=3ine FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3ine OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3ine RCSB], [http://www.ebi.ac.uk/pdbsum/3ine 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=3ine FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3ine OCA], [http://pdbe.org/3ine PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=3ine RCSB], [http://www.ebi.ac.uk/pdbsum/3ine PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=3ine 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=3ine 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 3ine" 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 19:41, 25 December 2014

OCA — Thu, 25 Dec 2014 19:41:16 GMT

←Older revision		Revision as of 19:41, 25 December 2014
Line 3:		Line 3:
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[3ine]] 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=3INE OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3INE FirstGlance]. <br>		<table><tr><td colspan='2'>[[3ine]] 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=3INE OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3INE FirstGlance]. <br>
-	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=X17:(5S)-2-AMINO-5-(4-METHOXY-3-METHYLPHENYL)-3-METHYL-5-[(3S,5S,7S)-TRICYCLO[3.3.1.1~3,7~]DEC-1-YL]-3,5-DIHYDRO-4H-IMIDAZOL-4-ONE'>X17</scene><br>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=X17:(5S)-2-AMINO-5-(4-METHOXY-3-METHYLPHENYL)-3-METHYL-5-[(3S,5S,7S)-TRICYCLO[3.3.1.1~3,7~]DEC-1-YL]-3,5-DIHYDRO-4H-IMIDAZOL-4-ONE'>X17</scene></td></tr>
-	<tr><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3ind\|3ind]], [[3inf\|3inf]], [[3inh\|3inh]]</td></tr>	+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3ind\|3ind]], [[3inf\|3inf]], [[3inh\|3inh]]</td></tr>
-	<tr><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">BACE1, BACE, 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">BACE1, BACE, 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=3ine FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3ine OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3ine RCSB], [http://www.ebi.ac.uk/pdbsum/3ine 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=3ine FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3ine OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3ine RCSB], [http://www.ebi.ac.uk/pdbsum/3ine 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 M.]]	+	[[Category: Olland, A M]]
	[[Category: Aspartyl protease]]		[[Category: Aspartyl protease]]
	[[Category: Bace1]]		[[Category: Bace1]]

OCA at 13:05, 29 September 2014

OCA — Mon, 29 Sep 2014 13:05:44 GMT

←Older revision		Revision as of 13:05, 29 September 2014
Line 1:		Line 1:
-	[[~~Image:~~3ine.~~png~~\|~~left~~\|200px]]	+	==Bace1 with the aminohydantoin Compound S-34==
		+	<StructureSection load='3ine' size='340' side='right' caption='[[3ine]], [[Resolution\|resolution]] 2.00Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[3ine]] 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=3INE OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3INE FirstGlance]. <br>
		+	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=X17:(5S)-2-AMINO-5-(4-METHOXY-3-METHYLPHENYL)-3-METHYL-5-[(3S,5S,7S)-TRICYCLO[3.3.1.1~3,7~]DEC-1-YL]-3,5-DIHYDRO-4H-IMIDAZOL-4-ONE'>X17</scene><br>
		+	<tr><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3ind\|3ind]], [[3inf\|3inf]], [[3inh\|3inh]]</td></tr>
		+	<tr><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">BACE1, BACE, 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=3ine FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3ine OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3ine RCSB], [http://www.ebi.ac.uk/pdbsum/3ine 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/in/3ine_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 ==
		+	The identification of small molecule aminohydantoins as potent and selective human beta-secretase inhibitors is reported. These analogues exhibit low nannomolar potency for BACE1, show comparable activity in a cell-based (ELISA) assay, and demonstrate >100x selectivity for the other structurally related aspartyl proteases BACE2, cathepsinD, renin, and pepsin. On the basis of the cocrystal structure of the HTS-hit 2 in the BACE1 active site and by use of a structure-based drug design approach, we methodically explored the comparatively large binding pocket of the BACE1 enzyme and identified key interactions between the ligand and the protein that contributed to the affinity. One of the more potent compounds, (S)-55, displayed an IC(50) value for BACE1 of 10 nM and exhibited comparable cellular activity (EC(50) = 20 nM) in the ELISA assay. Acute oral administration of (S)-55 at 100 mg/kg resulted in a 69% reduction of plasma A beta(40) at 8 h in a Tg2576 mouse (p < 0.001).

-	~~{{STRUCTURE_3ine\| PDB=3ine \| SCENE= }}~~	+	Design and synthesis of 5,5'-disubstituted aminohydantoins as potent and selective human beta-secretase (BACE1) inhibitors.,Malamas MS, Erdei J, Gunawan I, Turner J, Hu Y, Wagner E, Fan K, Chopra R, Olland A, Bard J, Jacobsen S, Magolda RL, Pangalos M, Robichaud AJ J Med Chem. 2010 Feb 11;53(3):1146-58. PMID:19968289<ref>PMID:19968289</ref>

-	~~===Bace1 with~~ the ~~aminohydantoin Compound~~ S~~-34===~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-		+	</div>
-	~~{{ABSTRACT_PUBMED_19968289}}~~	+
-		+
-	~~==About this Structure==~~	+
-	~~[[3ine]] 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=3INE OCA].~~	+

	==See Also==		==See Also==
	*[[Beta secretase\|Beta secretase]]		*[[Beta secretase\|Beta secretase]]
-		+	== References ==
-	==~~Reference~~==	+	<references/>
-	<~~ref group="xtra">PMID:019968289<~~/~~ref~~><~~references group="xtra"~~/>	+	__TOC__
		+	</StructureSection>
	[[Category: Homo sapiens]]		[[Category: Homo sapiens]]
	[[Category: Memapsin 2]]		[[Category: Memapsin 2]]

OCA at 20:40, 20 October 2012

OCA — Sat, 20 Oct 2012 20:40:03 GMT

←Older revision		Revision as of 20:40, 20 October 2012
Line 8:		Line 8:

	==About this Structure==		==About this Structure==
-	[[3ine]] 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=3INE OCA].	+	[[3ine]] 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=3INE OCA].

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

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

OCA — Fri, 27 Jul 2012 11:13:58 GMT

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

←Older revision

Revision as of 11:13, 27 July 2012

OCA at 11:13, 27 July 2012

OCA — Fri, 27 Jul 2012 11:13:56 GMT

←Older revision		Revision as of 11:13, 27 July 2012
Line 1:		Line 1:
-	~~{{Seed}}~~	+	[[Image:3ine.png\|left\|200px]]
-	[[Image:3ine.~~jpg~~\|left\|200px]]	+

-	<!--
-	The line below this paragraph, containing "STRUCTURE_3ine", 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_3ine\| PDB=3ine \| SCENE= }}		{{STRUCTURE_3ine\| PDB=3ine \| SCENE= }}

	===Bace1 with the aminohydantoin Compound S-34===		===Bace1 with the aminohydantoin Compound S-34===

-
-	<!--
-	The line below this paragraph, {{ABSTRACT_PUBMED_19968289}}, adds the Publication Abstract to the page
-	(as it appears on PubMed at http://www.pubmed.gov), where 19968289 is the PubMed ID number.
-	-->
	{{ABSTRACT_PUBMED_19968289}}		{{ABSTRACT_PUBMED_19968289}}

	==About this Structure==		==About this Structure==
-	~~3INE~~ 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=3INE OCA].	+	[[3ine]] 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=3INE OCA].
		+
		+	==See Also==
		+	*[[Beta secretase\|Beta secretase]]

	==Reference==		==Reference==
-	<ref group="xtra">PMID:~~19968289~~</ref><references group="xtra"/>	+	<ref group="xtra">PMID:019968289</ref><references group="xtra"/>
	[[Category: Homo sapiens]]		[[Category: Homo sapiens]]
	[[Category: Memapsin 2]]		[[Category: Memapsin 2]]
	[[Category: Chopra, R.]]		[[Category: Chopra, R.]]
	[[Category: Olland, A M.]]		[[Category: Olland, A M.]]
-	[[Category: Alternative splicing]]
	[[Category: Aspartyl protease]]		[[Category: Aspartyl protease]]
	[[Category: Bace1]]		[[Category: Bace1]]
Line 36:		Line 26:
	[[Category: Inhibitor]]		[[Category: Inhibitor]]
	[[Category: Membrane]]		[[Category: Membrane]]
-	[[Category: Polymorphism]]
	[[Category: Protease]]		[[Category: Protease]]
	[[Category: Transmembrane]]		[[Category: Transmembrane]]
	[[Category: Xray]]		[[Category: Xray]]
	[[Category: Zymogen]]		[[Category: Zymogen]]
-
-	''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed Mar 3 16:37:07 2010''

OCA at 14:37, 3 March 2010

OCA — Wed, 03 Mar 2010 14:37:09 GMT

←Older revision		Revision as of 14:37, 3 March 2010
Line 1:		Line 1:
-	~~'''Unreleased structure'''~~	+	{{Seed}}
		+	[[Image:3ine.jpg\|left\|200px]]

-	The ~~entry 3ine~~ is ~~ON HOLD~~	+	<!--
		+	The line below this paragraph, containing "STRUCTURE_3ine", 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_3ine\| PDB=3ine \| SCENE= }}

-	~~Authors: Olland, A.M., Chopra, R.~~	+	===Bace1 with the aminohydantoin Compound S-34===

-	Description: Bace1 with the aminohydantoin Compound S-34

-	''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on ~~Thu Sep~~ 3 15:21:~~53 2009~~''	+	<!--
		+	The line below this paragraph, {{ABSTRACT_PUBMED_19968289}}, adds the Publication Abstract to the page
		+	(as it appears on PubMed at http://www.pubmed.gov), where 19968289 is the PubMed ID number.
		+	-->
		+	{{ABSTRACT_PUBMED_19968289}}
		+
		+	==About this Structure==
		+	3INE 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=3INE OCA].
		+
		+	==Reference==
		+	<ref group="xtra">PMID:19968289</ref><references group="xtra"/>
		+	[[Category: Homo sapiens]]
		+	[[Category: Memapsin 2]]
		+	[[Category: Chopra, R.]]
		+	[[Category: Olland, A M.]]
		+	[[Category: Alternative splicing]]
		+	[[Category: Aspartyl protease]]
		+	[[Category: Bace1]]
		+	[[Category: Disulfide bond]]
		+	[[Category: Glycoprotein]]
		+	[[Category: Hydrolase]]
		+	[[Category: Inhibitor]]
		+	[[Category: Membrane]]
		+	[[Category: Polymorphism]]
		+	[[Category: Protease]]
		+	[[Category: Transmembrane]]
		+	[[Category: Xray]]
		+	[[Category: Zymogen]]
		+
		+	''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed Mar 3 16:37:07 2010''