3ivi - Revision history

OCA at 03:43, 21 April 2022

OCA — Thu, 21 Apr 2022 03:43:09 GMT

←Older revision		Revision as of 03:43, 21 April 2022
Line 1:		Line 1:

	==Design and Synthesis of Potent BACE-1 Inhibitors with Cellular Activity: Structure-Activity Relationship of P1 Substituents==		==Design and Synthesis of Potent BACE-1 Inhibitors with Cellular Activity: Structure-Activity Relationship of P1 Substituents==
-	<StructureSection load='3ivi' size='340' side='right' caption='[[3ivi]], [[Resolution\|resolution]] 2.20Å' scene=''>	+	<StructureSection load='3ivi' size='340' side='right'caption='[[3ivi]], [[Resolution\|resolution]] 2.20Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[3ivi]] is a 3 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=3IVI OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=3IVI FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[3ivi]] is a 3 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=3IVI OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3IVI FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=2LI:N-[(1S,2R)-3-{[(5S)-5-(3-TERT-BUTYLPHENYL)-4,5,6,7-TETRAHYDRO-1H-INDAZOL-5-YL]AMINO}-1-(3,5-DIFLUOROBENZYL)-2-HYDROXYPROPYL]ACETAMIDE'>2LI</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=2LI:N-[(1S,2R)-3-{[(5S)-5-(3-TERT-BUTYLPHENYL)-4,5,6,7-TETRAHYDRO-1H-INDAZOL-5-YL]AMINO}-1-(3,5-DIFLUOROBENZYL)-2-HYDROXYPROPYL]ACETAMIDE'>2LI</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></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=3ivi FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3ivi OCA], [~~http~~://pdbe.org/3ivi PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=3ivi RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/3ivi PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=3ivi 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=3ivi FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3ivi OCA], [https://pdbe.org/3ivi PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3ivi RCSB], [https://www.ebi.ac.uk/pdbsum/3ivi PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3ivi 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 32:		Line 32:

	==See Also==		==See Also==
-	*[[Beta secretase\|Beta secretase]]	+	*[[Beta secretase 3D structures\|Beta secretase 3D structures]]
-	*[[Cytochrome P450\|Cytochrome P450]]	+	*[[Cytochrome P450 3D structures\|Cytochrome P450 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: Pan, H]]		[[Category: Pan, H]]

OCA at 09:43, 19 December 2018

OCA — Wed, 19 Dec 2018 09:43:43 GMT

←Older revision		Revision as of 09:43, 19 December 2018
Line 1:		Line 1:
		+
	==Design and Synthesis of Potent BACE-1 Inhibitors with Cellular Activity: Structure-Activity Relationship of P1 Substituents==		==Design and Synthesis of Potent BACE-1 Inhibitors with Cellular Activity: Structure-Activity Relationship of P1 Substituents==
	<StructureSection load='3ivi' size='340' side='right' caption='[[3ivi]], [[Resolution\|resolution]] 2.20Å' scene=''>		<StructureSection load='3ivi' size='340' side='right' caption='[[3ivi]], [[Resolution\|resolution]] 2.20Å' scene=''>
Line 6:		Line 7:
	<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 ([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=3ivi FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3ivi OCA], [http://pdbe.org/3ivi PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=3ivi RCSB], [http://www.ebi.ac.uk/pdbsum/3ivi 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=3ivi FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3ivi OCA], [http://pdbe.org/3ivi PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=3ivi RCSB], [http://www.ebi.ac.uk/pdbsum/3ivi PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=3ivi ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
Line 14:		Line 15:
	Check<jmol>		Check<jmol>
	<jmolCheckbox>		<jmolCheckbox>
-	<scriptWhenChecked>select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/iv/3ivi_consurf.spt"</scriptWhenChecked>	+	<scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/iv/3ivi_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>

OCA at 18:30, 8 February 2016

OCA — Mon, 08 Feb 2016 18:30:55 GMT

←Older revision		Revision as of 18:30, 8 February 2016
Line 2:		Line 2:
	<StructureSection load='3ivi' size='340' side='right' caption='[[3ivi]], [[Resolution\|resolution]] 2.20Å' scene=''>		<StructureSection load='3ivi' size='340' side='right' caption='[[3ivi]], [[Resolution\|resolution]] 2.20Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[3ivi]] is a 3 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=3IVI OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3IVI FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[3ivi]] is a 3 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=3IVI OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3IVI FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=2LI:N-[(1S,2R)-3-{[(5S)-5-(3-TERT-BUTYLPHENYL)-4,5,6,7-TETRAHYDRO-1H-INDAZOL-5-YL]AMINO}-1-(3,5-DIFLUOROBENZYL)-2-HYDROXYPROPYL]ACETAMIDE'>2LI</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=2LI:N-[(1S,2R)-3-{[(5S)-5-(3-TERT-BUTYLPHENYL)-4,5,6,7-TETRAHYDRO-1H-INDAZOL-5-YL]AMINO}-1-(3,5-DIFLUOROBENZYL)-2-HYDROXYPROPYL]ACETAMIDE'>2LI</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></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=3ivi FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3ivi OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3ivi RCSB], [http://www.ebi.ac.uk/pdbsum/3ivi 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=3ivi FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3ivi OCA], [http://pdbe.org/3ivi PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=3ivi RCSB], [http://www.ebi.ac.uk/pdbsum/3ivi PDBsum]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
Line 18:		Line 18:
	<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=3ivi ConSurf].
	<div style="clear:both"></div>		<div style="clear:both"></div>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
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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 3ivi" style="background-color:#fffaf0;"></div>

	==See Also==		==See Also==
Line 36:		Line 37:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Homo sapiens~~]]	+	[[Category: Human]]
	[[Category: Memapsin 2]]		[[Category: Memapsin 2]]
	[[Category: Pan, H]]		[[Category: Pan, H]]

OCA at 01:19, 25 December 2014

OCA — Thu, 25 Dec 2014 01:19:26 GMT

←Older revision		Revision as of 01:19, 25 December 2014
Line 3:		Line 3:
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[3ivi]] is a 3 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=3IVI OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3IVI FirstGlance]. <br>		<table><tr><td colspan='2'>[[3ivi]] is a 3 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=3IVI OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3IVI FirstGlance]. <br>
-	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=2LI:N-[(1S,2R)-3-{[(5S)-5-(3-TERT-BUTYLPHENYL)-4,5,6,7-TETRAHYDRO-1H-INDAZOL-5-YL]AMINO}-1-(3,5-DIFLUOROBENZYL)-2-HYDROXYPROPYL]ACETAMIDE'>2LI</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene><br>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=2LI:N-[(1S,2R)-3-{[(5S)-5-(3-TERT-BUTYLPHENYL)-4,5,6,7-TETRAHYDRO-1H-INDAZOL-5-YL]AMINO}-1-(3,5-DIFLUOROBENZYL)-2-HYDROXYPROPYL]ACETAMIDE'>2LI</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></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=3ivi FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3ivi OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3ivi RCSB], [http://www.ebi.ac.uk/pdbsum/3ivi 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=3ivi FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3ivi OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3ivi RCSB], [http://www.ebi.ac.uk/pdbsum/3ivi 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: Pan, H.]]	+	[[Category: Pan, H]]
	[[Category: Alzheimer's disease]]		[[Category: Alzheimer's disease]]
	[[Category: Aspartyl protease]]		[[Category: Aspartyl protease]]

OCA at 13:10, 29 September 2014

OCA — Mon, 29 Sep 2014 13:10:30 GMT

←Older revision		Revision as of 13:10, 29 September 2014
Line 1:		Line 1:
-	[[~~Image:~~3ivi.~~png~~\|~~left~~\|200px]]	+	==Design and Synthesis of Potent BACE-1 Inhibitors with Cellular Activity: Structure-Activity Relationship of P1 Substituents==
		+	<StructureSection load='3ivi' size='340' side='right' caption='[[3ivi]], [[Resolution\|resolution]] 2.20Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[3ivi]] is a 3 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=3IVI OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3IVI FirstGlance]. <br>
		+	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=2LI:N-[(1S,2R)-3-{[(5S)-5-(3-TERT-BUTYLPHENYL)-4,5,6,7-TETRAHYDRO-1H-INDAZOL-5-YL]AMINO}-1-(3,5-DIFLUOROBENZYL)-2-HYDROXYPROPYL]ACETAMIDE'>2LI</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene><br>
		+	<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=3ivi FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3ivi OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3ivi RCSB], [http://www.ebi.ac.uk/pdbsum/3ivi 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/iv/3ivi_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 ==
		+	Using structure-guided design, hydroxyethylamine BACE-1 inhibitors were optimized to nanomolar Abeta cellular inhibition with selectivity against cathepsin-D. X-ray crystallography illuminated the S1' residues critical to this effort, which culminated in compounds 56 and 57 that exhibited potency and selectivity but poor permeability and high P-gp efflux.

-	~~{{STRUCTURE_3ivi\| PDB=3ivi \| SCENE= }}~~	+	Design and synthesis of cell potent BACE-1 inhibitors: structure-activity relationship of P1' substituents.,Sealy JM, Truong AP, Tso L, Probst GD, Aquino J, Hom RK, Jagodzinska BM, Dressen D, Wone DW, Brogley L, John V, Tung JS, Pleiss MA, Tucker JA, Konradi AW, Dappen MS, Toth G, Pan H, Ruslim L, Miller J, Bova MP, Sinha S, Quinn KP, Sauer JM Bioorg Med Chem Lett. 2009 Nov 15;19(22):6386-91. Epub 2009 Sep 19. PMID:19811916<ref>PMID:19811916</ref>

-	~~===Design and Synthesis~~ of ~~Potent BACE-1 Inhibitors with Cellular Activity: Structure-Activity Relationship of P1 Substituents===~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-		+	</div>
-	~~{{ABSTRACT_PUBMED_19811916}}~~	+
-		+
-	~~==About this Structure==~~	+
-	~~[[3ivi]] is a 3 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=3IVI OCA].~~	+

	==See Also==		==See Also==
	*[[Beta secretase\|Beta secretase]]		*[[Beta secretase\|Beta secretase]]
	*[[Cytochrome P450\|Cytochrome P450]]		*[[Cytochrome P450\|Cytochrome P450]]
-		+	== References ==
-	==~~Reference~~==	+	<references/>
-	<~~ref group="xtra">PMID:019811916<~~/~~ref~~><~~references group="xtra"~~/>	+	__TOC__
		+	</StructureSection>
	[[Category: Homo sapiens]]		[[Category: Homo sapiens]]
	[[Category: Memapsin 2]]		[[Category: Memapsin 2]]

OCA at 11:04, 20 October 2012

OCA — Sat, 20 Oct 2012 11:04:33 GMT

←Older revision		Revision as of 11:04, 20 October 2012
Line 8:		Line 8:

	==About this Structure==		==About this Structure==
-	[[3ivi]] is a 3 chain structure ~~of [[Beta secretase]] and [[Cytochrome P450]]~~ 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=3IVI OCA].	+	[[3ivi]] is a 3 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=3IVI OCA].

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

OCA at 04:09, 26 July 2012

OCA — Thu, 26 Jul 2012 04:09:57 GMT

←Older revision		Revision as of 04:09, 26 July 2012
Line 1:		Line 1:
	[[Image:3ivi.png\|left\|200px]]		[[Image:3ivi.png\|left\|200px]]

-	<!--
-	The line below this paragraph, containing "STRUCTURE_3ivi", 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_3ivi\| PDB=3ivi \| SCENE= }}		{{STRUCTURE_3ivi\| PDB=3ivi \| SCENE= }}

	===Design and Synthesis of Potent BACE-1 Inhibitors with Cellular Activity: Structure-Activity Relationship of P1 Substituents===		===Design and Synthesis of Potent BACE-1 Inhibitors with Cellular Activity: Structure-Activity Relationship of P1 Substituents===

-
-	<!--
-	The line below this paragraph, {{ABSTRACT_PUBMED_19811916}}, adds the Publication Abstract to the page
-	(as it appears on PubMed at http://www.pubmed.gov), where 19811916 is the PubMed ID number.
-	-->
	{{ABSTRACT_PUBMED_19811916}}		{{ABSTRACT_PUBMED_19811916}}

	==About this Structure==		==About this Structure==
-	[[3ivi]] is a 3 chain structure of [[Cytochrome P450]] 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=3IVI OCA].	+	[[3ivi]] is a 3 chain structure of [[Beta secretase]] and [[Cytochrome P450]] 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=3IVI OCA].

	==See Also==		==See Also==
-	*[[Cytochrome P450]]	+	*[[Beta secretase\|Beta secretase]]
		+	*[[Cytochrome P450\|Cytochrome P450]]

	==Reference==		==Reference==
-	<ref group="xtra">PMID:~~19811916~~</ref><references group="xtra"/>	+	<ref group="xtra">PMID:019811916</ref><references group="xtra"/>
	[[Category: Homo sapiens]]		[[Category: Homo sapiens]]
	[[Category: Memapsin 2]]		[[Category: Memapsin 2]]
	[[Category: Pan, H.]]		[[Category: Pan, H.]]
-	[[Category: Alternative splicing]]
	[[Category: Alzheimer's disease]]		[[Category: Alzheimer's disease]]
	[[Category: Aspartyl protease]]		[[Category: Aspartyl protease]]
Line 37:		Line 26:
	[[Category: Hydrolase]]		[[Category: Hydrolase]]
	[[Category: Membrane]]		[[Category: Membrane]]
-	[[Category: Polymorphism]]
	[[Category: Protease]]		[[Category: Protease]]
	[[Category: Structure-based drug design]]		[[Category: Structure-based drug design]]
	[[Category: Transmembrane]]		[[Category: Transmembrane]]
	[[Category: Zymogen]]		[[Category: Zymogen]]

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

OCA — Mon, 27 Dec 2010 01:29:39 GMT

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

←Older revision

Revision as of 01:29, 27 December 2010

OCA at 01:29, 27 December 2010

OCA — Mon, 27 Dec 2010 01:29:38 GMT

←Older revision		Revision as of 01:29, 27 December 2010
Line 1:		Line 1:
-	~~{{Seed}}~~	+	[[Image:3ivi.png\|left\|200px]]
-	[[Image:3ivi.~~jpg~~\|left\|200px]]	+

	<!--		<!--
Line 20:		Line 19:

	==About this Structure==		==About this Structure==
-	~~3IVI~~ is a 3 ~~chains~~ structure of ~~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=3IVI OCA].	+	[[3ivi]] is a 3 chain structure of [[Cytochrome P450]] 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=3IVI OCA].
		+
		+	==See Also==
		+	*[[Cytochrome P450]]

	==Reference==		==Reference==
Line 40:		Line 42:
	[[Category: Transmembrane]]		[[Category: Transmembrane]]
	[[Category: Zymogen]]		[[Category: Zymogen]]
-
-	''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed Jan 6 09:32:15 2010''

OCA at 07:32, 6 January 2010

OCA — Wed, 06 Jan 2010 07:32:15 GMT

←Older revision		Revision as of 07:32, 6 January 2010
Line 1:		Line 1:
-	~~'''Unreleased structure'''~~	+	{{Seed}}
		+	[[Image:3ivi.jpg\|left\|200px]]

-	The ~~entry 3ivi~~ is ~~ON HOLD~~ ~~until Paper Publication~~	+	<!--
		+	The line below this paragraph, containing "STRUCTURE_3ivi", 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_3ivi\| PDB=3ivi \| SCENE= }}

-	~~Authors~~: ~~Pan, H.~~	+	===Design and Synthesis of Potent BACE-1 Inhibitors with Cellular Activity: Structure-Activity Relationship of P1 Substituents===

-	Description: Design and Synthesis of Potent BACE-1 Inhibitors with Cellular Activity: Structure-Activity Relationship of P1 Substituents

-	''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed ~~Nov 18 18~~:47:~~39 2009~~''	+	<!--
		+	The line below this paragraph, {{ABSTRACT_PUBMED_19811916}}, adds the Publication Abstract to the page
		+	(as it appears on PubMed at http://www.pubmed.gov), where 19811916 is the PubMed ID number.
		+	-->
		+	{{ABSTRACT_PUBMED_19811916}}
		+
		+	==About this Structure==
		+	3IVI is a 3 chains structure of 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=3IVI OCA].
		+
		+	==Reference==
		+	<ref group="xtra">PMID:19811916</ref><references group="xtra"/>
		+	[[Category: Homo sapiens]]
		+	[[Category: Memapsin 2]]
		+	[[Category: Pan, H.]]
		+	[[Category: Alternative splicing]]
		+	[[Category: Alzheimer's disease]]
		+	[[Category: Aspartyl protease]]
		+	[[Category: Bace-1 inhibitor]]
		+	[[Category: Disulfide bond]]
		+	[[Category: Glycoprotein]]
		+	[[Category: Hydrolase]]
		+	[[Category: Membrane]]
		+	[[Category: Polymorphism]]
		+	[[Category: Protease]]
		+	[[Category: Structure-based drug design]]
		+	[[Category: Transmembrane]]
		+	[[Category: Zymogen]]
		+
		+	''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed Jan 6 09:32:15 2010''