4xrz - Revision history

OCA at 07:48, 27 September 2023

OCA — Wed, 27 Sep 2023 07:48:39 GMT

←Older revision		Revision as of 07:48, 27 September 2023
Line 4:		Line 4:
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[4xrz]] is a 4 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=4XRZ OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4XRZ FirstGlance]. <br>		<table><tr><td colspan='2'>[[4xrz]] is a 4 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=4XRZ OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4XRZ 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=HEM:PROTOPORPHYRIN+IX+CONTAINING+FE'>HEM</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene>, <scene name='pdbligand=SI6:(4AR,6R,8AS)-8A-(2,4-DIFLUOROPHENYL)-6-(1H-PYRAZOL-4-YL)-4,4A,5,6,8,8A-HEXAHYDROPYRANO[3,4-D][1,3]THIAZIN-2-AMINE'>SI6</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</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]] 2.4Å</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=HEM:PROTOPORPHYRIN+IX+CONTAINING+FE'>HEM</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene>, <scene name='pdbligand=SI6:(4AR,6R,8AS)-8A-(2,4-DIFLUOROPHENYL)-6-(1H-PYRAZOL-4-YL)-4,4A,5,6,8,8A-HEXAHYDROPYRANO[3,4-D][1,3]THIAZIN-2-AMINE'>SI6</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></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=4xrz FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4xrz OCA], [https://pdbe.org/4xrz PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4xrz RCSB], [https://www.ebi.ac.uk/pdbsum/4xrz PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4xrz 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=4xrz FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4xrz OCA], [https://pdbe.org/4xrz PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4xrz RCSB], [https://www.ebi.ac.uk/pdbsum/4xrz PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4xrz ProSAT]</span></td></tr>
	</table>		</table>

OCA at 17:49, 26 April 2023

OCA — Wed, 26 Apr 2023 17:49:22 GMT

←Older revision		Revision as of 17:49, 26 April 2023
Line 3:		Line 3:
	<StructureSection load='4xrz' size='340' side='right'caption='[[4xrz]], [[Resolution\|resolution]] 2.40Å' scene=''>		<StructureSection load='4xrz' size='340' side='right'caption='[[4xrz]], [[Resolution\|resolution]] 2.40Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[4xrz]] is a 4 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=4XRZ OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=4XRZ FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[4xrz]] is a 4 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=4XRZ OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4XRZ 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=HEM:PROTOPORPHYRIN+IX+CONTAINING+FE'>HEM</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene>, <scene name='pdbligand=SI6:(4AR,6R,8AS)-8A-(2,4-DIFLUOROPHENYL)-6-(1H-PYRAZOL-4-YL)-4,4A,5,6,8,8A-HEXAHYDROPYRANO[3,4-D][1,3]THIAZIN-2-AMINE'>SI6</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</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=HEM:PROTOPORPHYRIN+IX+CONTAINING+FE'>HEM</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene>, <scene name='pdbligand=SI6:(4AR,6R,8AS)-8A-(2,4-DIFLUOROPHENYL)-6-(1H-PYRAZOL-4-YL)-4,4A,5,6,8,8A-HEXAHYDROPYRANO[3,4-D][1,3]THIAZIN-2-AMINE'>SI6</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>
-	~~<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4xry\|4xry]]</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=4xrz FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4xrz OCA], [https://pdbe.org/4xrz PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4xrz RCSB], [https://www.ebi.ac.uk/pdbsum/4xrz PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4xrz ProSAT]</span></td></tr>
-	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">CYP2D6, CYP2DL1 ([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/Unspecific_monooxygenase Unspecific monooxygenase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.14.14.1 1.14.14.1] </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=4xrz FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4xrz OCA], [~~http~~://pdbe.org/4xrz PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=4xrz RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/4xrz PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=4xrz ProSAT]</span></td></tr>	+
	</table>		</table>
	== Function ==		== Function ==
-	[~~[http~~://www.uniprot.org/uniprot/CP2D6_HUMAN CP2D6_HUMAN]] Responsible for the metabolism of many drugs and environmental chemicals that it oxidizes. It is involved in the metabolism of drugs such as antiarrhythmics, adrenoceptor antagonists, and tricyclic antidepressants.<ref>PMID:16352597</ref>	+	[https://www.uniprot.org/uniprot/CP2D6_HUMAN CP2D6_HUMAN] Responsible for the metabolism of many drugs and environmental chemicals that it oxidizes. It is involved in the metabolism of drugs such as antiarrhythmics, adrenoceptor antagonists, and tricyclic antidepressants.<ref>PMID:16352597</ref>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 28:		Line 25:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Human~~]]	+	[[Category: Homo sapiens]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	~~[[Category: Unspecific monooxygenase]]~~	+	[[Category: Fan Y]]
-	[[Category: Fan, Y]]	+	[[Category: Johnson EF]]
-	[[Category: Johnson~~, E F]]~~	+
-	~~[[Category: Bace1]]~~	+
-	~~[[Category: Cyp2d6]]~~	+
-	~~[[Category: Cytochrome p450]]~~	+
-	~~[[Category: Monooxygenase]]~~	+
-	~~[[Category: Oxidoreductase-oxidoreductase inhibitor complex]]~~	+
-	~~[[Category: P450 2d6~~]]	+

OCA at 10:39, 25 December 2019

OCA — Wed, 25 Dec 2019 10:39:31 GMT

←Older revision		Revision as of 10:39, 25 December 2019
Line 1:		Line 1:

	==Human Cytochrome P450 2D6 BACE1 Inhibitor 6 Complex==		==Human Cytochrome P450 2D6 BACE1 Inhibitor 6 Complex==
-	<StructureSection load='4xrz' size='340' side='right' caption='[[4xrz]], [[Resolution\|resolution]] 2.40Å' scene=''>	+	<StructureSection load='4xrz' size='340' side='right'caption='[[4xrz]], [[Resolution\|resolution]] 2.40Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[4xrz]] is a 4 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=4XRZ OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4XRZ FirstGlance]. <br>		<table><tr><td colspan='2'>[[4xrz]] is a 4 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=4XRZ OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4XRZ FirstGlance]. <br>
Line 21:		Line 21:
	</div>		</div>
	<div class="pdbe-citations 4xrz" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 4xrz" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Cytochrome P450 3D structures\|Cytochrome P450 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
Line 26:		Line 29:
	</StructureSection>		</StructureSection>
	[[Category: Human]]		[[Category: Human]]
		+	[[Category: Large Structures]]
	[[Category: Unspecific monooxygenase]]		[[Category: Unspecific monooxygenase]]
	[[Category: Fan, Y]]		[[Category: Fan, Y]]

OCA at 12:17, 6 November 2017

OCA — Mon, 06 Nov 2017 12:17:08 GMT

←Older revision		Revision as of 12:17, 6 November 2017
Line 3:		Line 3:
	<StructureSection load='4xrz' size='340' side='right' caption='[[4xrz]], [[Resolution\|resolution]] 2.40Å' scene=''>		<StructureSection load='4xrz' size='340' side='right' caption='[[4xrz]], [[Resolution\|resolution]] 2.40Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[4xrz]] is a 4 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4XRZ OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4XRZ FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[4xrz]] is a 4 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=4XRZ OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4XRZ 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=HEM:PROTOPORPHYRIN+IX+CONTAINING+FE'>HEM</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene>, <scene name='pdbligand=SI6:(4AR,6R,8AS)-8A-(2,4-DIFLUOROPHENYL)-6-(1H-PYRAZOL-4-YL)-4,4A,5,6,8,8A-HEXAHYDROPYRANO[3,4-D][1,3]THIAZIN-2-AMINE'>SI6</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</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=HEM:PROTOPORPHYRIN+IX+CONTAINING+FE'>HEM</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene>, <scene name='pdbligand=SI6:(4AR,6R,8AS)-8A-(2,4-DIFLUOROPHENYL)-6-(1H-PYRAZOL-4-YL)-4,4A,5,6,8,8A-HEXAHYDROPYRANO[3,4-D][1,3]THIAZIN-2-AMINE'>SI6</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4xry\|4xry]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4xry\|4xry]]</td></tr>
		+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">CYP2D6, CYP2DL1 ([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/Unspecific_monooxygenase Unspecific monooxygenase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.14.14.1 1.14.14.1] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Unspecific_monooxygenase Unspecific monooxygenase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.14.14.1 1.14.14.1] </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=4xrz FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4xrz OCA], [http://pdbe.org/4xrz PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4xrz RCSB], [http://www.ebi.ac.uk/pdbsum/4xrz PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4xrz ProSAT]</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=4xrz FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4xrz OCA], [http://pdbe.org/4xrz PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4xrz RCSB], [http://www.ebi.ac.uk/pdbsum/4xrz PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4xrz ProSAT]</span></td></tr>
Line 24:		Line 25:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Human]]
	[[Category: Unspecific monooxygenase]]		[[Category: Unspecific monooxygenase]]
	[[Category: Fan, Y]]		[[Category: Fan, Y]]

OCA at 01:47, 10 March 2017

OCA — Fri, 10 Mar 2017 01:47:32 GMT

←Older revision		Revision as of 01:47, 10 March 2017
Line 1:		Line 1:
		+
	==Human Cytochrome P450 2D6 BACE1 Inhibitor 6 Complex==		==Human Cytochrome P450 2D6 BACE1 Inhibitor 6 Complex==
	<StructureSection load='4xrz' size='340' side='right' caption='[[4xrz]], [[Resolution\|resolution]] 2.40Å' scene=''>		<StructureSection load='4xrz' size='340' side='right' caption='[[4xrz]], [[Resolution\|resolution]] 2.40Å' scene=''>
Line 6:		Line 7:
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4xry\|4xry]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4xry\|4xry]]</td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Unspecific_monooxygenase Unspecific monooxygenase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.14.14.1 1.14.14.1] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Unspecific_monooxygenase Unspecific monooxygenase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.14.14.1 1.14.14.1] </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=4xrz FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4xrz OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4xrz RCSB], [http://www.ebi.ac.uk/pdbsum/4xrz 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=4xrz FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4xrz OCA], [http://pdbe.org/4xrz PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4xrz RCSB], [http://www.ebi.ac.uk/pdbsum/4xrz PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4xrz ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
Line 18:		Line 19:
	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 4xrz" style="background-color:#fffaf0;"></div>
	== References ==		== References ==
	<references/>		<references/>

OCA at 12:08, 20 May 2015

OCA — Wed, 20 May 2015 12:08:27 GMT

←Older revision		Revision as of 12:08, 20 May 2015
Line 1:		Line 1:
-	'''~~Unreleased~~ structure'''	+	==Human Cytochrome P450 2D6 BACE1 Inhibitor 6 Complex==
		+	<StructureSection load='4xrz' size='340' side='right' caption='[[4xrz]], [[Resolution\|resolution]] 2.40Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[4xrz]] is a 4 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4XRZ OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4XRZ 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=HEM:PROTOPORPHYRIN+IX+CONTAINING+FE'>HEM</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene>, <scene name='pdbligand=SI6:(4AR,6R,8AS)-8A-(2,4-DIFLUOROPHENYL)-6-(1H-PYRAZOL-4-YL)-4,4A,5,6,8,8A-HEXAHYDROPYRANO[3,4-D][1,3]THIAZIN-2-AMINE'>SI6</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>
		+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4xry\|4xry]]</td></tr>
		+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Unspecific_monooxygenase Unspecific monooxygenase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.14.14.1 1.14.14.1] </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=4xrz FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4xrz OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4xrz RCSB], [http://www.ebi.ac.uk/pdbsum/4xrz PDBsum]</span></td></tr>
		+	</table>
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/CP2D6_HUMAN CP2D6_HUMAN]] Responsible for the metabolism of many drugs and environmental chemicals that it oxidizes. It is involved in the metabolism of drugs such as antiarrhythmics, adrenoceptor antagonists, and tricyclic antidepressants.<ref>PMID:16352597</ref>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	In recent years, the first generation of beta-secretase (BACE1) inhibitors advanced into clinical development for the treatment of Alzheimer's disease (AD). However, the alignment of drug-like properties and selectivity remains a major challenge. Herein, we describe the discovery of a novel class of potent, low clearance, CNS penetrant BACE1 inhibitors represented by thioamidine 5. Further profiling suggested that a high fraction of the metabolism (>95%) was due to CYP2D6, increasing the potential risk for victim-based drug-drug interactions (DDI) and variable exposure in the clinic due to the polymorphic nature of this enzyme. To guide future design, we solved crystal structures of CYP2D6 complexes with substrate 5 and its corresponding metabolic product pyrazole 6, which provided insight into the binding mode and movements between substrate/inhibitor complexes. Guided by the BACE1 and CYP2D6 crystal structures, we designed and synthesized analogs with reduced risk for DDI, central efficacy, and improved hERG therapeutic margins.

-	~~The entry 4xrz is ON HOLD until Paper Publication~~	+	Utilizing CYP2D6 and BACE1 Structure Complexes to Reduce Risk of Drug-Drug Interactions with a Novel Series of Centrally Efficacious BACE1 Inhibitors.,Brodney MA, Beck EM, Butler CR, Barreiro G, Johnson EF, Riddell D, Parris K, Nolan CE, Fan Y, Atchison K, Gonzales C, Robshaw A, Doran SD, Bundesmann MW, Buzon LM, Dutra JK, Henegar KE, LaChapelle EA, Hou X, Rogers BN, Pandit J, Lira R, Martinez-Alsina LA, Mikochik P, Murray JC, Ogilvie K, Price L, Sakya S, Yu A, Zhang Y, O'Neill BT J Med Chem. 2015 Mar 17. PMID:25781223<ref>PMID:25781223</ref>

-	~~Authors: Johnson~~, E.F.~~, Fan, Y~~.	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-		+	</div>
-	~~Description: Human Cytochrome P450 2D6 BACE1 Inhibitor 6 Complex~~	+	== References ==
-	[[Category: ~~Unreleased Structures~~]]	+	<references/>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Unspecific monooxygenase]]
	[[Category: Fan, Y]]		[[Category: Fan, Y]]
-	[[Category: Johnson, E.F]]	+	[[Category: Johnson, E F]]
		+	[[Category: Bace1]]
		+	[[Category: Cyp2d6]]
		+	[[Category: Cytochrome p450]]
		+	[[Category: Monooxygenase]]
		+	[[Category: Oxidoreductase-oxidoreductase inhibitor complex]]
		+	[[Category: P450 2d6]]

OCA at 14:45, 7 February 2015

OCA — Sat, 07 Feb 2015 14:45:40 GMT

←Older revision		Revision as of 14:45, 7 February 2015
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 4xrz is ON HOLD	+	The entry 4xrz is ON HOLD until Paper Publication

	Authors: Johnson, E.F., Fan, Y.		Authors: Johnson, E.F., Fan, Y.

OCA: Protected "4xrz" [edit=sysop:move=sysop]

OCA — Wed, 28 Jan 2015 15:46:04 GMT

Protected "4xrz" [edit=sysop:move=sysop]

←Older revision

Revision as of 15:46, 28 January 2015

OCA: New page: '''Unreleased structure''' The entry 4xrz is ON HOLD Authors: Johnson, E.F., Fan, Y. Description: Human Cytochrome P450 2D6 BACE1 Inhibitor 6 Complex [[Category: Unreleased Structures]...

OCA — Wed, 28 Jan 2015 15:46:03 GMT

New page: '''Unreleased structure''' The entry 4xrz is ON HOLD Authors: Johnson, E.F., Fan, Y. Description: Human Cytochrome P450 2D6 BACE1 Inhibitor 6 Complex [[Category: Unreleased Structures]...

New page

'''Unreleased structure'''

The entry 4xrz is ON HOLD

Authors: Johnson, E.F., Fan, Y.

Description: Human Cytochrome P450 2D6 BACE1 Inhibitor 6 Complex
[[Category: Unreleased Structures]]
[[Category: Fan, Y]]
[[Category: Johnson, E.F]]