4h6o - Revision history

OCA at 15:01, 20 September 2023

2023-09-20T15:01:01Z

←Older revision		Revision as of 15:01, 20 September 2023
Line 4:		Line 4:
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[4h6o]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Trypanosoma_cruzi Trypanosoma cruzi]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4H6O OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4H6O FirstGlance]. <br>		<table><tr><td colspan='2'>[[4h6o]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Trypanosoma_cruzi Trypanosoma cruzi]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4H6O OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4H6O FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=HEM:PROTOPORPHYRIN+IX+CONTAINING+FE'>HEM</scene>, <scene name='pdbligand=NEE:1-[3-(4-CHLORO-3,5-DIMETHYLPHENOXY)BENZYL]-1H-IMIDAZOLE'>NEE</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]] 2.8Å</td></tr>
		+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=HEM:PROTOPORPHYRIN+IX+CONTAINING+FE'>HEM</scene>, <scene name='pdbligand=NEE:1-[3-(4-CHLORO-3,5-DIMETHYLPHENOXY)BENZYL]-1H-IMIDAZOLE'>NEE</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=4h6o FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4h6o OCA], [https://pdbe.org/4h6o PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4h6o RCSB], [https://www.ebi.ac.uk/pdbsum/4h6o PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4h6o 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=4h6o FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4h6o OCA], [https://pdbe.org/4h6o PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4h6o RCSB], [https://www.ebi.ac.uk/pdbsum/4h6o PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4h6o ProSAT]</span></td></tr>
	</table>		</table>

OCA at 08:02, 3 November 2022

2022-11-03T08:02:21Z

←Older revision		Revision as of 08:02, 3 November 2022
Line 1:		Line 1:

	==Sterol 14-alpha demethylase (CYP51)from Trypanosoma cruzi in complex with the inhibitor NEU321 (1-(3-(4-chloro-3,5-dimethylphenoxy)benzyl)-1H-imidazole==		==Sterol 14-alpha demethylase (CYP51)from Trypanosoma cruzi in complex with the inhibitor NEU321 (1-(3-(4-chloro-3,5-dimethylphenoxy)benzyl)-1H-imidazole==
-	<StructureSection load='4h6o' size='340' side='right' caption='[[4h6o]], [[Resolution\|resolution]] 2.80Å' scene=''>	+	<StructureSection load='4h6o' size='340' side='right'caption='[[4h6o]], [[Resolution\|resolution]] 2.80Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[4h6o]] is a 1 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/~~Trycr Trycr~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4H6O OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=4H6O FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[4h6o]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Trypanosoma_cruzi Trypanosoma cruzi]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4H6O OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4H6O FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=HEM:PROTOPORPHYRIN+IX+CONTAINING+FE'>HEM</scene>, <scene name='pdbligand=NEE:1-[3-(4-CHLORO-3,5-DIMETHYLPHENOXY)BENZYL]-1H-IMIDAZOLE'>NEE</scene~~></td></tr>~~	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=HEM:PROTOPORPHYRIN+IX+CONTAINING+FE'>HEM</scene>, <scene name='pdbligand=NEE:1-[3-(4-CHLORO-3,5-DIMETHYLPHENOXY)BENZYL]-1H-IMIDAZOLE'>NEE</scene></td></tr>
-	~~<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3ksw\|3ksw]], [[3k1o\|3k1o]]</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=4h6o FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4h6o OCA], [https://pdbe.org/4h6o PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4h6o RCSB], [https://www.ebi.ac.uk/pdbsum/4h6o PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4h6o ProSAT]</span></td></tr>
-	~~<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">CYP51 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=5693 TRYCR])</td></tr>~~	+
-	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Sterol_14-demethylase Sterol 14-demethylase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.14.13.70 1.14.13.70] </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=4h6o FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4h6o OCA], [~~http~~://pdbe.org/4h6o PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=4h6o RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/4h6o PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=4h6o ProSAT]</span></td></tr>	+
	</table>		</table>
	== Function ==		== Function ==
-	[~~[http~~://www.uniprot.org/uniprot/CP51_TRYCC CP51_TRYCC]] Catalyzes C14-demethylation of lanosterol which is critical for ergosterol biosynthesis. It transforms lanosterol into 4,4'-dimethyl cholesta-8,14,24-triene-3-beta-ol (By similarity). Favors C4 dimethylated substrates, the substrate preference order is 24-methylenedihydrolanosterol > 24,25-dihydrolanosterol > lanosterol > obtusifoliol > norlanosterol.<ref>PMID:16321980</ref> [UniProtKB:P0A512]	+	[https://www.uniprot.org/uniprot/CP51_TRYCC CP51_TRYCC] Catalyzes C14-demethylation of lanosterol which is critical for ergosterol biosynthesis. It transforms lanosterol into 4,4'-dimethyl cholesta-8,14,24-triene-3-beta-ol (By similarity). Favors C4 dimethylated substrates, the substrate preference order is 24-methylenedihydrolanosterol > 24,25-dihydrolanosterol > lanosterol > obtusifoliol > norlanosterol.<ref>PMID:16321980</ref> [UniProtKB:P0A512]
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 25:		Line 22:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Sterol 14-demethylase~~]]	+	[[Category: Large Structures]]
-	[[Category: ~~Trycr~~]]	+	[[Category: Trypanosoma cruzi]]
-	[[Category: Hargrove~~, T Y~~]]	+	[[Category: Hargrove TY]]
-	[[Category: Lepesheva~~, G I~~]]	+	[[Category: Lepesheva GI]]
-	[[Category: Pollastri~~, M P~~]]	+	[[Category: Pollastri MP]]
-	[[Category: Wawrzak, Z]]	+	[[Category: Wawrzak Z]]
-	~~[[Category: Cytochrome p450]]~~	+
-	~~[[Category: Cytochrome p450 fold]]~~	+
-	~~[[Category: Endoplasmic reticulum membrane]]~~	+
-	~~[[Category: Eukaryotic membrane]]~~	+
-	~~[[Category: Heme]]~~	+
-	~~[[Category: Monooxygenase]]~~	+
-	~~[[Category: Oxidoreductase]]~~	+
-	~~[[Category: Oxidoreductase-oxidoreductase inhibitor complex]]~~	+
-	~~[[Category: Sterol biosynthesis~~]]	+

OCA at 15:44, 4 August 2016

2016-08-04T15:44:55Z

←Older revision		Revision as of 15:44, 4 August 2016
Line 1:		Line 1:
		+
	==Sterol 14-alpha demethylase (CYP51)from Trypanosoma cruzi in complex with the inhibitor NEU321 (1-(3-(4-chloro-3,5-dimethylphenoxy)benzyl)-1H-imidazole==		==Sterol 14-alpha demethylase (CYP51)from Trypanosoma cruzi in complex with the inhibitor NEU321 (1-(3-(4-chloro-3,5-dimethylphenoxy)benzyl)-1H-imidazole==
	<StructureSection load='4h6o' size='340' side='right' caption='[[4h6o]], [[Resolution\|resolution]] 2.80Å' scene=''>		<StructureSection load='4h6o' size='340' side='right' caption='[[4h6o]], [[Resolution\|resolution]] 2.80Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[4h6o]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/~~Trypanosoma_cruzi Trypanosoma cruzi~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4H6O OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4H6O FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[4h6o]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Trycr Trycr]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4H6O OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4H6O FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=HEM:PROTOPORPHYRIN+IX+CONTAINING+FE'>HEM</scene>, <scene name='pdbligand=NEE:1-[3-(4-CHLORO-3,5-DIMETHYLPHENOXY)BENZYL]-1H-IMIDAZOLE'>NEE</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=HEM:PROTOPORPHYRIN+IX+CONTAINING+FE'>HEM</scene>, <scene name='pdbligand=NEE:1-[3-(4-CHLORO-3,5-DIMETHYLPHENOXY)BENZYL]-1H-IMIDAZOLE'>NEE</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3ksw\|3ksw]], [[3k1o\|3k1o]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3ksw\|3ksw]], [[3k1o\|3k1o]]</td></tr>
-	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">CYP51 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=5693 ~~Trypanosoma cruzi~~])</td></tr>	+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">CYP51 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=5693 TRYCR])</td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Sterol_14-demethylase Sterol 14-demethylase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.14.13.70 1.14.13.70] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Sterol_14-demethylase Sterol 14-demethylase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.14.13.70 1.14.13.70] </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=4h6o FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4h6o OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4h6o RCSB], [http://www.ebi.ac.uk/pdbsum/4h6o 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=4h6o FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4h6o OCA], [http://pdbe.org/4h6o PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4h6o RCSB], [http://www.ebi.ac.uk/pdbsum/4h6o PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4h6o ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
Line 19:		Line 20:
	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 4h6o" style="background-color:#fffaf0;"></div>
	== References ==		== References ==
	<references/>		<references/>
Line 24:		Line 26:
	</StructureSection>		</StructureSection>
	[[Category: Sterol 14-demethylase]]		[[Category: Sterol 14-demethylase]]
-	[[Category: ~~Trypanosoma cruzi~~]]	+	[[Category: Trycr]]
	[[Category: Hargrove, T Y]]		[[Category: Hargrove, T Y]]
	[[Category: Lepesheva, G I]]		[[Category: Lepesheva, G I]]

OCA at 16:36, 24 December 2014

2014-12-24T16:36:51Z

←Older revision		Revision as of 16:36, 24 December 2014
Line 1:		Line 1:
-	~~{{STRUCTURE_4h6o\| PDB=4h6o \| SCENE= }}~~	+	==Sterol 14-alpha demethylase (CYP51)from Trypanosoma cruzi in complex with the inhibitor NEU321 (1-(3-(4-chloro-3,5-dimethylphenoxy)benzyl)-1H-imidazole==
-	===Sterol 14-alpha demethylase (CYP51)from Trypanosoma cruzi in complex with the inhibitor NEU321 (1-(3-(4-chloro-3,5-dimethylphenoxy)benzyl)-1H-imidazole===	+	<StructureSection load='4h6o' size='340' side='right' caption='[[4h6o]], [[Resolution\|resolution]] 2.80Å' scene=''>
-	~~{{ABSTRACT_PUBMED_23448316}}~~	+	== Structural highlights ==
-		+	<table><tr><td colspan='2'>[[4h6o]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Trypanosoma_cruzi Trypanosoma cruzi]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4H6O OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4H6O FirstGlance]. <br>
-	==Function==	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=HEM:PROTOPORPHYRIN+IX+CONTAINING+FE'>HEM</scene>, <scene name='pdbligand=NEE:1-[3-(4-CHLORO-3,5-DIMETHYLPHENOXY)BENZYL]-1H-IMIDAZOLE'>NEE</scene></td></tr>
		+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3ksw\|3ksw]], [[3k1o\|3k1o]]</td></tr>
		+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">CYP51 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=5693 Trypanosoma cruzi])</td></tr>
		+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Sterol_14-demethylase Sterol 14-demethylase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.14.13.70 1.14.13.70] </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=4h6o FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4h6o OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4h6o RCSB], [http://www.ebi.ac.uk/pdbsum/4h6o PDBsum]</span></td></tr>
		+	</table>
		+	== Function ==
	[[http://www.uniprot.org/uniprot/CP51_TRYCC CP51_TRYCC]] Catalyzes C14-demethylation of lanosterol which is critical for ergosterol biosynthesis. It transforms lanosterol into 4,4'-dimethyl cholesta-8,14,24-triene-3-beta-ol (By similarity). Favors C4 dimethylated substrates, the substrate preference order is 24-methylenedihydrolanosterol > 24,25-dihydrolanosterol > lanosterol > obtusifoliol > norlanosterol.<ref>PMID:16321980</ref> [UniProtKB:P0A512]		[[http://www.uniprot.org/uniprot/CP51_TRYCC CP51_TRYCC]] Catalyzes C14-demethylation of lanosterol which is critical for ergosterol biosynthesis. It transforms lanosterol into 4,4'-dimethyl cholesta-8,14,24-triene-3-beta-ol (By similarity). Favors C4 dimethylated substrates, the substrate preference order is 24-methylenedihydrolanosterol > 24,25-dihydrolanosterol > lanosterol > obtusifoliol > norlanosterol.<ref>PMID:16321980</ref> [UniProtKB:P0A512]
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Chagas disease is caused by the intracellular protozoan parasite Trypanosomal cruzi , and current drugs are lacking in terms of desired safety and efficacy profiles. Following on a recently reported high-throughput screening campaign, we have explored initial structure-activity relationships around a class of imidazole-based compounds. This profiling has uncovered compounds 4c (NEU321) and 4j (NEU704), which are potent against in vitro cultures of T. cruzi and are greater than 160-fold selective over host cells. We report in vitro drug metabolism and properties profiling of 4c and show that this chemotype inhibits the T. cruzi CYP51 enzyme, an observation confirmed by X-ray crystallographic analysis. We compare the binding orientation of 4c to that of other, previously reported inhibitors. We show that 4c displays a significantly better ligand efficiency and a shorter synthetic route over previously disclosed CYP51 inhibitors, and should therefore be considered a promising lead compound for further optimization.

-	~~==About this Structure==~~	+	Antitrypanosomal Lead Discovery: Identification of a Ligand-Efficient Inhibitor of Trypanosoma cruzi CYP51 and Parasite Growth.,Andriani G, Amata E, Beatty J, Clements Z, Coffey BJ, Courtemanche G, Devine W, Erath J, Juda CE, Wawrzak Z, Wood JT, Lepesheva GI, Rodriguez A, Pollastri MP J Med Chem. 2013 Mar 13. PMID:23448316<ref>PMID:23448316</ref>
-	~~[[4h6o]] is~~ a ~~1 chain structure with sequence from [http://en.wikipedia.org/wiki/Trypanosoma_cruzi~~ Trypanosoma cruzi]. ~~Full crystallographic information is available from [http://oca~~.~~weizmann~~.~~ac.il~~/~~oca-bin/ocashort?id=4H6O OCA].~~	+

-	==~~Reference~~==	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	<references ~~group="xtra"~~/><~~references~~/>	+	</div>
		+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
	[[Category: Sterol 14-demethylase]]		[[Category: Sterol 14-demethylase]]
	[[Category: Trypanosoma cruzi]]		[[Category: Trypanosoma cruzi]]
-	[[Category: Hargrove, T Y.]]	+	[[Category: Hargrove, T Y]]
-	[[Category: Lepesheva, G I.]]	+	[[Category: Lepesheva, G I]]
-	[[Category: Pollastri, M P.]]	+	[[Category: Pollastri, M P]]
-	[[Category: Wawrzak, Z.]]	+	[[Category: Wawrzak, Z]]
	[[Category: Cytochrome p450]]		[[Category: Cytochrome p450]]
	[[Category: Cytochrome p450 fold]]		[[Category: Cytochrome p450 fold]]

OCA at 21:51, 10 April 2013

2013-04-10T21:51:08Z

←Older revision		Revision as of 21:51, 10 April 2013
Line 4:		Line 4:

	==Function==		==Function==
-	[[http://www.uniprot.org/uniprot/CP51_TRYCC CP51_TRYCC]] Catalyzes C14-demethylation of lanosterol which is critical for ergosterol biosynthesis. It transforms lanosterol into 4,4'-dimethyl cholesta-8,14,24-triene-3-beta-ol (By similarity). Favors C4 dimethylated substrates, the substrate preference order is 24-methylenedihydrolanosterol > 24,25-dihydrolanosterol > lanosterol > obtusifoliol > norlanosterol.<ref>PMID:16321980</ref>[UniProtKB:P0A512]	+	[[http://www.uniprot.org/uniprot/CP51_TRYCC CP51_TRYCC]] Catalyzes C14-demethylation of lanosterol which is critical for ergosterol biosynthesis. It transforms lanosterol into 4,4'-dimethyl cholesta-8,14,24-triene-3-beta-ol (By similarity). Favors C4 dimethylated substrates, the substrate preference order is 24-methylenedihydrolanosterol > 24,25-dihydrolanosterol > lanosterol > obtusifoliol > norlanosterol.<ref>PMID:16321980</ref> [UniProtKB:P0A512]

	==About this Structure==		==About this Structure==

OCA at 07:42, 27 March 2013

2013-03-27T07:42:23Z

←Older revision		Revision as of 07:42, 27 March 2013
Line 1:		Line 1:
-	~~'''Unreleased structure'''~~	+	{{STRUCTURE_4h6o\| PDB=4h6o \| SCENE= }}
		+	===Sterol 14-alpha demethylase (CYP51)from Trypanosoma cruzi in complex with the inhibitor NEU321 (1-(3-(4-chloro-3,5-dimethylphenoxy)benzyl)-1H-imidazole===
		+	{{ABSTRACT_PUBMED_23448316}}

-	~~The entry 4h6o~~ is ~~ON HOLD until Paper Publication~~	+	==Function==
		+	[[http://www.uniprot.org/uniprot/CP51_TRYCC CP51_TRYCC]] Catalyzes C14-demethylation of lanosterol which is critical for ergosterol biosynthesis. It transforms lanosterol into 4,4'-dimethyl cholesta-8,14,24-triene-3-beta-ol (By similarity). Favors C4 dimethylated substrates, the substrate preference order is 24-methylenedihydrolanosterol > 24,25-dihydrolanosterol > lanosterol > obtusifoliol > norlanosterol.<ref>PMID:16321980</ref>[UniProtKB:P0A512]

-	~~Authors~~: ~~Wawrzak, Z~~.~~, Hargrove, T~~.Y.~~, Pollastri, M~~.P.~~, Lepesheva, G~~.I.	+	==About this Structure==
		+	[[4h6o]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Trypanosoma_cruzi Trypanosoma cruzi]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4H6O OCA].

-	~~Description~~: Sterol 14-~~alpha~~ demethylase ~~(CYP51)from~~ Trypanosoma cruzi ~~in complex with the inhibitor NEU321 (1-(3-(4-chloro-3~~,~~5-dimethylphenoxy)benzyl)~~-~~1H-imidazole~~	+	==Reference==
		+	<references group="xtra"/><references/>
		+	[[Category: Sterol 14-demethylase]]
		+	[[Category: Trypanosoma cruzi]]
		+	[[Category: Hargrove, T Y.]]
		+	[[Category: Lepesheva, G I.]]
		+	[[Category: Pollastri, M P.]]
		+	[[Category: Wawrzak, Z.]]
		+	[[Category: Cytochrome p450]]
		+	[[Category: Cytochrome p450 fold]]
		+	[[Category: Endoplasmic reticulum membrane]]
		+	[[Category: Eukaryotic membrane]]
		+	[[Category: Heme]]
		+	[[Category: Monooxygenase]]
		+	[[Category: Oxidoreductase]]
		+	[[Category: Oxidoreductase-oxidoreductase inhibitor complex]]
		+	[[Category: Sterol biosynthesis]]

OCA at 06:13, 14 November 2012

2012-11-14T06:13:51Z

←Older revision		Revision as of 06:13, 14 November 2012
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	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 4h6o is ON HOLD until ~~sometime in the future~~	+	The entry 4h6o is ON HOLD until Paper Publication

-	Authors: Wawrzak, Z., Hargrove, T.Y., Lepesheva, G.I.	+	Authors: Wawrzak, Z., Hargrove, T.Y., Pollastri, M.P., Lepesheva, G.I.

	Description: Sterol 14-alpha demethylase (CYP51)from Trypanosoma cruzi in complex with the inhibitor NEU321 (1-(3-(4-chloro-3,5-dimethylphenoxy)benzyl)-1H-imidazole		Description: Sterol 14-alpha demethylase (CYP51)from Trypanosoma cruzi in complex with the inhibitor NEU321 (1-(3-(4-chloro-3,5-dimethylphenoxy)benzyl)-1H-imidazole

OCA at 06:33, 17 October 2012

2012-10-17T06:33:22Z

←Older revision		Revision as of 06:33, 17 October 2012
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 4h6o is ON HOLD	+	The entry 4h6o is ON HOLD until sometime in the future

	Authors: Wawrzak, Z., Hargrove, T.Y., Lepesheva, G.I.		Authors: Wawrzak, Z., Hargrove, T.Y., Lepesheva, G.I.

	Description: Sterol 14-alpha demethylase (CYP51)from Trypanosoma cruzi in complex with the inhibitor NEU321 (1-(3-(4-chloro-3,5-dimethylphenoxy)benzyl)-1H-imidazole		Description: Sterol 14-alpha demethylase (CYP51)from Trypanosoma cruzi in complex with the inhibitor NEU321 (1-(3-(4-chloro-3,5-dimethylphenoxy)benzyl)-1H-imidazole

OCA: Protected "4h6o" [edit=sysop:move=sysop]

2012-09-26T20:14:23Z

Protected "4h6o" [edit=sysop:move=sysop]

←Older revision

Revision as of 20:14, 26 September 2012

OCA: New page: '''Unreleased structure''' The entry 4h6o is ON HOLD Authors: Wawrzak, Z., Hargrove, T.Y., Lepesheva, G.I. Description: Sterol 14-alpha demethylase (CYP51)from Trypanosoma cruzi in com...

2012-09-26T20:14:22Z

New page: '''Unreleased structure''' The entry 4h6o is ON HOLD Authors: Wawrzak, Z., Hargrove, T.Y., Lepesheva, G.I. Description: Sterol 14-alpha demethylase (CYP51)from Trypanosoma cruzi in com...

New page

'''Unreleased structure'''

The entry 4h6o is ON HOLD

Authors: Wawrzak, Z., Hargrove, T.Y., Lepesheva, G.I.

Description: Sterol 14-alpha demethylase (CYP51)from Trypanosoma cruzi in complex with the inhibitor NEU321 (1-(3-(4-chloro-3,5-dimethylphenoxy)benzyl)-1H-imidazole