3rtm - Revision history

OCA at 02:22, 21 November 2024

2024-11-21T02:22:14Z

← Older revision		Revision as of 02:22, 21 November 2024
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	<StructureSection load='3rtm' size='340' side='right'caption='[[3rtm]], [[Resolution\|resolution]] 2.76Å' scene=''>		<StructureSection load='3rtm' size='340' side='right'caption='[[3rtm]], [[Resolution\|resolution]] 2.76Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[3rtm]] 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=3RTM OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3RTM FirstGlance]. <br>		<table><tr><td colspan='2'>[[3rtm]] 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=3RTM OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3RTM FirstGlance]. <br>
	</td></tr><tr id='~~ligand~~'><td class="sblockLbl"><b>[[~~Ligand~~\|~~Ligands~~:]]</b></td><td class="sblockDat" id="~~ligandDat~~">~~<scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>~~, ~~<scene name='pdbligand=IOD:IODIDE+ION'>IOD</scene>, <scene name='pdbligand=RTM:3-(~~2~~-AMINOQUINOLIN-3-YL)-N-CYCLOHEXYL-N-METHYLPROPANAMIDE'>RTM</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]] 2.76Å</td></tr>
	<tr id='~~related~~'><td class="sblockLbl"><b>[[~~Related_structure~~\|~~Related~~:]]</b></td><td class="sblockDat"><~~div style~~='~~overflow~~: ~~auto; max-height: 3em;~~'>~~[[3rsv\|3rsv]], [[3rsx\|3rsx]], [[3rth\|3rth]], [[3rtn\|3rtn]]~~</~~div~~><~~/td></tr>~~		<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=IOD:IODIDE+ION'>IOD</scene>, <scene name='pdbligand=RTM:3-(2-AMINOQUINOLIN-3-YL)-N-CYCLOHEXYL-N-METHYLPROPANAMIDE'>RTM</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=3rtm FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3rtm OCA], [https://pdbe.org/3rtm PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3rtm RCSB], [https://www.ebi.ac.uk/pdbsum/3rtm PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3rtm 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=3rtm FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3rtm OCA], [https://pdbe.org/3rtm PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3rtm RCSB], [https://www.ebi.ac.uk/pdbsum/3rtm PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3rtm ProSAT]</span></td></tr>
	</table>		</table>
	~~== 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>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
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	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
	[[Category: ~~Human~~]]		[[Category: Homo sapiens]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
	~~[[Category: Memapsin 2]]~~		[[Category: Sickmier EA]]
	[[Category: Sickmier~~, E A]]~~
	~~[[Category: Aspartyl protease]]~~
	~~[[Category: Hydrolase-hydrolase inhibitor complex~~]]

OCA at 10:24, 22 June 2022

2022-06-22T10:24:41Z

← Older revision		Revision as of 10:24, 22 June 2022
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	==Structure of Bace-1 (Beta-Secretase) in Complex with 3-(2-Aminoquinolin-3-yl)-N-cyclohexyl-N-methylpropanamide==		==Structure of Bace-1 (Beta-Secretase) in Complex with 3-(2-Aminoquinolin-3-yl)-N-cyclohexyl-N-methylpropanamide==
	<StructureSection load='3rtm' size='340' side='right' caption='[[3rtm]], [[Resolution\|resolution]] 2.76Å' scene=''>		<StructureSection load='3rtm' size='340' side='right'caption='[[3rtm]], [[Resolution\|resolution]] 2.76Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[3rtm]] 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=3RTM OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=3RTM FirstGlance]. <br>		<table><tr><td colspan='2'>[[3rtm]] 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=3RTM OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3RTM FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=IOD:IODIDE+ION'>IOD</scene>, <scene name='pdbligand=RTM:3-(2-AMINOQUINOLIN-3-YL)-N-CYCLOHEXYL-N-METHYLPROPANAMIDE'>RTM</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=IOD:IODIDE+ION'>IOD</scene>, <scene name='pdbligand=RTM:3-(2-AMINOQUINOLIN-3-YL)-N-CYCLOHEXYL-N-METHYLPROPANAMIDE'>RTM</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3rsv\|3rsv]], [[3rsx\|3rsx]], [[3rth\|3rth]], [[3rtn\|3rtn]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[3rsv\|3rsv]], [[3rsx\|3rsx]], [[3rth\|3rth]], [[3rtn\|3rtn]]</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=3rtm FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3rtm OCA], [~~http~~://pdbe.org/3rtm PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=3rtm RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/3rtm PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=3rtm 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=3rtm FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3rtm OCA], [https://pdbe.org/3rtm PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3rtm RCSB], [https://www.ebi.ac.uk/pdbsum/3rtm PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3rtm 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>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
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	==See Also==		==See Also==
	*[[Beta secretase\|Beta secretase]]		*[[Beta secretase 3D structures\|Beta secretase 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
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	</StructureSection>		</StructureSection>
	[[Category: Human]]		[[Category: Human]]
			[[Category: Large Structures]]
	[[Category: Memapsin 2]]		[[Category: Memapsin 2]]
	[[Category: Sickmier, E A]]		[[Category: Sickmier, E A]]
	[[Category: Aspartyl protease]]		[[Category: Aspartyl protease]]
	[[Category: Hydrolase-hydrolase inhibitor complex]]		[[Category: Hydrolase-hydrolase inhibitor complex]]

OCA at 08:41, 5 August 2016

2016-08-05T08:41:59Z

← Older revision		Revision as of 08:41, 5 August 2016
Line 1:		Line 1:

	==Structure of Bace-1 (Beta-Secretase) in Complex with 3-(2-Aminoquinolin-3-yl)-N-cyclohexyl-N-methylpropanamide==		==Structure of Bace-1 (Beta-Secretase) in Complex with 3-(2-Aminoquinolin-3-yl)-N-cyclohexyl-N-methylpropanamide==
	<StructureSection load='3rtm' size='340' side='right' caption='[[3rtm]], [[Resolution\|resolution]] 2.76Å' scene=''>		<StructureSection load='3rtm' size='340' side='right' caption='[[3rtm]], [[Resolution\|resolution]] 2.76Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[3rtm]] 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=3RTM OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3RTM FirstGlance]. <br>		<table><tr><td colspan='2'>[[3rtm]] 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=3RTM OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3RTM FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=IOD:IODIDE+ION'>IOD</scene>, <scene name='pdbligand=RTM:3-(2-AMINOQUINOLIN-3-YL)-N-CYCLOHEXYL-N-METHYLPROPANAMIDE'>RTM</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=IOD:IODIDE+ION'>IOD</scene>, <scene name='pdbligand=RTM:3-(2-AMINOQUINOLIN-3-YL)-N-CYCLOHEXYL-N-METHYLPROPANAMIDE'>RTM</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3rsv\|3rsv]], [[3rsx\|3rsx]], [[3rth\|3rth]], [[3rtn\|3rtn]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3rsv\|3rsv]], [[3rsx\|3rsx]], [[3rth\|3rth]], [[3rtn\|3rtn]]</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=3rtm FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3rtm OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3rtm RCSB], [http://www.ebi.ac.uk/pdbsum/3rtm 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=3rtm FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3rtm OCA], [http://pdbe.org/3rtm PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=3rtm RCSB], [http://www.ebi.ac.uk/pdbsum/3rtm PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=3rtm ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
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	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 3rtm" style="background-color:#fffaf0;"></div>

	==See Also==		==See Also==
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	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
	[[Category: ~~Homo sapiens~~]]		[[Category: Human]]
	[[Category: Memapsin 2]]		[[Category: Memapsin 2]]
	[[Category: Sickmier, E A]]		[[Category: Sickmier, E A]]
	[[Category: Aspartyl protease]]		[[Category: Aspartyl protease]]
	[[Category: Hydrolase-hydrolase inhibitor complex]]		[[Category: Hydrolase-hydrolase inhibitor complex]]

OCA at 00:52, 25 December 2014

2014-12-25T00:52:25Z

← Older revision		Revision as of 00:52, 25 December 2014
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	<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=3rtm FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3rtm OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3rtm RCSB], [http://www.ebi.ac.uk/pdbsum/3rtm 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=3rtm FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3rtm OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3rtm RCSB], [http://www.ebi.ac.uk/pdbsum/3rtm 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>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==

OCA at 11:43, 9 December 2014

2014-12-09T11:43:38Z

← Older revision		Revision as of 11:43, 9 December 2014
Line 1:		Line 1:
	[[~~Image~~:~~3rtm~~.~~png~~\|~~left~~\|~~200px~~]]		==Structure of Bace-1 (Beta-Secretase) in Complex with 3-(2-Aminoquinolin-3-yl)-N-cyclohexyl-N-methylpropanamide==
			<StructureSection load='3rtm' size='340' side='right' caption='[[3rtm]], [[Resolution\|resolution]] 2.76Å' scene=''>
			== Structural highlights ==
			<table><tr><td colspan='2'>[[3rtm]] 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=3RTM OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3RTM FirstGlance]. <br>
			</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=IOD:IODIDE+ION'>IOD</scene>, <scene name='pdbligand=RTM:3-(2-AMINOQUINOLIN-3-YL)-N-CYCLOHEXYL-N-METHYLPROPANAMIDE'>RTM</scene></td></tr>
			<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3rsv\|3rsv]], [[3rsx\|3rsx]], [[3rth\|3rth]], [[3rtn\|3rtn]]</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='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=3rtm FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3rtm OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3rtm RCSB], [http://www.ebi.ac.uk/pdbsum/3rtm PDBsum]</span></td></tr>
			</table>
			<div style="background-color:#fffaf0;">
			== Publication Abstract from PubMed ==
			Using fragment-based screening of a focused fragment library, 2-aminoquinoline 1 was identified as an initial hit for BACE1. Further SAR development was supported by X-ray structures of BACE1 cocrystallized with various ligands and molecular modeling studies to expedite the discovery of potent compounds. These strategies enabled us to integrate the C-3 side chain on 2-aminoquinoline 1 extending deep into the P2' binding pocket of BACE1 and enhancing the ligand's potency. We were able to improve the BACE1 potency to subnanomolar range, over 10(6)-fold more potent than the initial hit (900 muM). Further elaboration of the physical properties of the lead compounds to those more consistent with good blood-brain barrier permeability led to inhibitors with greatly improved cellular activity and permeability. Compound 59 showed an IC(50) value of 11 nM on BACE1 and cellular activity of 80 nM. This compound was advanced into rat pharmacokinetic and pharmacodynamic studies and demonstrated significant reduction of Abeta levels in cerebrospinal fluid (CSF).

	~~{{STRUCTURE_3rtm\| PDB=3rtm \| SCENE= }}~~		From Fragment Screening to In Vivo Efficacy: Optimization of a Series of 2-Aminoquinolines as Potent Inhibitors of Beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1).,Cheng Y, Judd TC, Bartberger MD, Brown J, Chen K, Fremeau RT, Hickman D, Hitchcock SA, Jordan B, Li V, Lopez P, Louie SW, Luo Y, Michelsen K, Nixey T, Powers TS, Rattan C, Sickmier EA, St Jean DJ, Wahl RC, Wen PH, Wood S J Med Chem. 2011 Aug 25;54(16):5836-57. Epub 2011 Jul 29. PMID:21707077<ref>PMID:21707077</ref>

	~~===Structure~~ of ~~Bace-1 (Beta-Secretase) in Complex with 3-(2-Aminoquinolin-3-yl)-N-cyclohexyl-N-methylpropanamide===~~		From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
			</div>
	~~{{ABSTRACT_PUBMED_21707077}}~~

	~~==About this Structure==~~
	~~[[3rtm]] 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=3RTM OCA].~~

	==See Also==		==See Also==
	*[[Beta secretase\|Beta secretase]]		*[[Beta secretase\|Beta secretase]]
			== References ==
	==~~Reference~~==		<references/>
	<~~ref group="xtra">PMID:021707077<~~/~~ref~~><~~references group="xtra"~~/>		__TOC__
			</StructureSection>
	[[Category: Homo sapiens]]		[[Category: Homo sapiens]]
	[[Category: Memapsin 2]]		[[Category: Memapsin 2]]
	[[Category: Sickmier, E A.]]		[[Category: Sickmier, E A]]
	[[Category: Aspartyl protease]]		[[Category: Aspartyl protease]]
	[[Category: Hydrolase-hydrolase inhibitor complex]]		[[Category: Hydrolase-hydrolase inhibitor complex]]

OCA at 10:50, 20 October 2012

2012-10-20T10:50:40Z

← Older revision		Revision as of 10:50, 20 October 2012
Line 8:		Line 8:

	==About this Structure==		==About this Structure==
	[[3rtm]] 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=3RTM OCA].		[[3rtm]] 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=3RTM OCA].

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

OCA at 03:26, 26 July 2012

2012-07-26T03:26:26Z

← Older revision		Revision as of 03:26, 26 July 2012
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	[[Image:3rtm.~~jpg~~\|left\|200px]]		[[Image:3rtm.png\|left\|200px]]

	~~<!--~~
	~~The line below this paragraph, containing "STRUCTURE_3rtm", 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_3rtm\| PDB=3rtm \| SCENE= }}		{{STRUCTURE_3rtm\| PDB=3rtm \| SCENE= }}

	===Structure of Bace-1 (Beta-Secretase) in Complex with 3-(2-Aminoquinolin-3-yl)-N-cyclohexyl-N-methylpropanamide===		===Structure of Bace-1 (Beta-Secretase) in Complex with 3-(2-Aminoquinolin-3-yl)-N-cyclohexyl-N-methylpropanamide===


	~~<!--~~
	~~The line below this paragraph, {{ABSTRACT_PUBMED_21707077}}, adds the Publication Abstract to the page~~
	~~(as it appears on PubMed at http://www.pubmed.gov), where 21707077 is the PubMed ID number.~~
	~~-->~~
	{{ABSTRACT_PUBMED_21707077}}		{{ABSTRACT_PUBMED_21707077}}

	==About this Structure==		==About this Structure==
	[[3rtm]] 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=3RTM OCA].		[[3rtm]] 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=3RTM OCA].

			==See Also==
			*[[Beta secretase\|Beta secretase]]

	==Reference==		==Reference==

OCA at 06:46, 31 August 2011

2011-08-31T06:46:30Z

@@ Line 1: / Line 1: @@
-'''Unreleased structure'''
+[[Image:3rtm.jpg|left|200px]]
-The entry 3rtm is ON HOLD  until Paper Publication
+<!--
-Authors: Sickmier, E.A.
+===Structure of Bace-1 (Beta-Secretase) in Complex with 3-(2-Aminoquinolin-3-yl)-N-cyclohexyl-N-methylpropanamide===
-Description: Structure of Bace-1 (Beta-Secretase) in Complex with 3-(2-Aminoquinolin-3-yl)-N-cyclohexyl-N-methylpropanamide

OCA at 05:15, 18 May 2011

2011-05-18T05:15:32Z

← Older revision		Revision as of 05:15, 18 May 2011
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

	The entry 3rtm is ON HOLD		The entry 3rtm is ON HOLD until Paper Publication

	Authors: Sickmier, E.A.		Authors: Sickmier, E.A.

	Description: Structure of Bace-1 (Beta-Secretase) in Complex with ~~Inhibitor 45~~		Description: Structure of Bace-1 (Beta-Secretase) in Complex with 3-(2-Aminoquinolin-3-yl)-N-cyclohexyl-N-methylpropanamide

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

2011-05-12T04:24:23Z

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

← Older revision	Revision as of 04:24, 12 May 2011
(No difference)