4h7c - Revision history

OCA at 15:01, 20 September 2023

OCA — Wed, 20 Sep 2023 15:01:15 GMT

←Older revision		Revision as of 15:01, 20 September 2023
Line 4:		Line 4:
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[4h7c]] 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=4H7C OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4H7C FirstGlance]. <br>		<table><tr><td colspan='2'>[[4h7c]] 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=4H7C OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4H7C FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=10H:1-(4-{[(2R)-2-METHYLPIPERIDIN-1-YL]SULFONYL}PHENYL)-1,3-DIHYDRO-2H-PYRROL-2-ONE'>10H</scene>, <scene name='pdbligand=NAP:NADP+NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NAP</scene></td></tr>	+	</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models\|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution\|Resolution]] 1.97Å</td></tr>
		+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=10H:1-(4-{[(2R)-2-METHYLPIPERIDIN-1-YL]SULFONYL}PHENYL)-1,3-DIHYDRO-2H-PYRROL-2-ONE'>10H</scene>, <scene name='pdbligand=NAP:NADP+NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NAP</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=4h7c FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4h7c OCA], [https://pdbe.org/4h7c PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4h7c RCSB], [https://www.ebi.ac.uk/pdbsum/4h7c PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4h7c 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=4h7c FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4h7c OCA], [https://pdbe.org/4h7c PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4h7c RCSB], [https://www.ebi.ac.uk/pdbsum/4h7c PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4h7c ProSAT]</span></td></tr>
	</table>		</table>
Line 20:		Line 21:

	==See Also==		==See Also==
-	*[[Prostaglandin F synthase\|Prostaglandin F synthase]]	+	*[[Prostaglandin F synthase 3D structures\|Prostaglandin F synthase 3D structures]]
	== References ==		== References ==
	<references/>		<references/>

OCA at 08:03, 3 November 2022

OCA — Thu, 03 Nov 2022 08:03:37 GMT

←Older revision		Revision as of 08:03, 3 November 2022
Line 1:		Line 1:

	==Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 in complex with 1-{4-[(2-methyl-1-piperidinyl)sulfonyl]phenyl}-2-pyrrolidinone==		==Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 in complex with 1-{4-[(2-methyl-1-piperidinyl)sulfonyl]phenyl}-2-pyrrolidinone==
-	<StructureSection load='4h7c' size='340' side='right' caption='[[4h7c]], [[Resolution\|resolution]] 1.97Å' scene=''>	+	<StructureSection load='4h7c' size='340' side='right'caption='[[4h7c]], [[Resolution\|resolution]] 1.97Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[4h7c]] 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=4H7C OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=4H7C FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[4h7c]] 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=4H7C OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4H7C FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=10H:1-(4-{[(2R)-2-METHYLPIPERIDIN-1-YL]SULFONYL}PHENYL)-1,3-DIHYDRO-2H-PYRROL-2-ONE'>10H</scene>, <scene name='pdbligand=NAP:NADP+NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NAP</scene>~~</td></tr>~~	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=10H:1-(4-{[(2R)-2-METHYLPIPERIDIN-1-YL]SULFONYL}PHENYL)-1,3-DIHYDRO-2H-PYRROL-2-ONE'>10H</scene>, <scene name='pdbligand=NAP:NADP+NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NAP</scene></td></tr>
-	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">AKR1C3, DDH1, HSD17B5, KIAA0119, PGFS ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])</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=4h7c FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4h7c OCA], [https://pdbe.org/4h7c PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4h7c RCSB], [https://www.ebi.ac.uk/pdbsum/4h7c PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4h7c 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=4h7c FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4h7c OCA], [~~http~~://pdbe.org/4h7c PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=4h7c RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/4h7c PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=4h7c ProSAT]</span></td></tr>	+
	</table>		</table>
	== Function ==		== Function ==
-	[~~[http~~://www.uniprot.org/uniprot/AK1C3_HUMAN AK1C3_HUMAN]] Catalyzes the conversion of aldehydes and ketones to alcohols. Catalyzes the reduction of prostaglandin (PG) D2, PGH2 and phenanthrenequinone (PQ) and the oxidation of 9-alpha,11-beta-PGF2 to PGD2. Functions as a bi-directional 3-alpha-, 17-beta- and 20-alpha HSD. Can interconvert active androgens, estrogens and progestins with their cognate inactive metabolites. Preferentially transforms androstenedione (4-dione) to testosterone.	+	[https://www.uniprot.org/uniprot/AK1C3_HUMAN AK1C3_HUMAN] Catalyzes the conversion of aldehydes and ketones to alcohols. Catalyzes the reduction of prostaglandin (PG) D2, PGH2 and phenanthrenequinone (PQ) and the oxidation of 9-alpha,11-beta-PGF2 to PGD2. Functions as a bi-directional 3-alpha-, 17-beta- and 20-alpha HSD. Can interconvert active androgens, estrogens and progestins with their cognate inactive metabolites. Preferentially transforms androstenedione (4-dione) to testosterone.
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 26:		Line 25:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Human~~]]	+	[[Category: Homo sapiens]]
-	[[Category: Denny~~, W A~~]]	+	[[Category: Large Structures]]
-	[[Category: Flanagan~~, J U~~]]	+	[[Category: Denny WA]]
-	[[Category: Heinrich, D]]	+	[[Category: Flanagan JU]]
-	[[Category: Jamieson~~, S M.F~~]]	+	[[Category: Heinrich D]]
-	[[Category: Owen~~, P J~~]]	+	[[Category: Jamieson SMF]]
-	[[Category: Raynham, T]]	+	[[Category: Owen PJ]]
-	[[Category: Rigoreau~~, L J.M~~]]	+	[[Category: Raynham T]]
-	[[Category: Samlal~~, S S~~]]	+	[[Category: Rigoreau LJM]]
-	[[Category: Schroeder, E]]	+	[[Category: Samlal SS]]
-	[[Category: Silva, S]]	+	[[Category: Schroeder E]]
-	[[Category: Soudy, C]]	+	[[Category: Silva S]]
-	[[Category: Trivier, E]]	+	[[Category: Soudy C]]
-	[[Category: Turnbull~~, A P]]~~	+	[[Category: Trivier E]]
-	~~[[Category: Aldo-keto reductase]]~~	+	[[Category: Turnbull AP]]
-	~~[[Category: Oxidoreductase-oxidoreductase inhibitor complex]]~~	+
-	~~[[Category: Tim-barrel~~]]	+

OCA at 12:01, 4 August 2016

OCA — Thu, 04 Aug 2016 12:01:59 GMT

←Older revision		Revision as of 12:01, 4 August 2016
Line 1:		Line 1:
		+
	==Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 in complex with 1-{4-[(2-methyl-1-piperidinyl)sulfonyl]phenyl}-2-pyrrolidinone==		==Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 in complex with 1-{4-[(2-methyl-1-piperidinyl)sulfonyl]phenyl}-2-pyrrolidinone==
	<StructureSection load='4h7c' size='340' side='right' caption='[[4h7c]], [[Resolution\|resolution]] 1.97Å' scene=''>		<StructureSection load='4h7c' size='340' side='right' caption='[[4h7c]], [[Resolution\|resolution]] 1.97Å' scene=''>
Line 5:		Line 6:
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=10H:1-(4-{[(2R)-2-METHYLPIPERIDIN-1-YL]SULFONYL}PHENYL)-1,3-DIHYDRO-2H-PYRROL-2-ONE'>10H</scene>, <scene name='pdbligand=NAP:NADP+NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NAP</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=10H:1-(4-{[(2R)-2-METHYLPIPERIDIN-1-YL]SULFONYL}PHENYL)-1,3-DIHYDRO-2H-PYRROL-2-ONE'>10H</scene>, <scene name='pdbligand=NAP:NADP+NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NAP</scene></td></tr>
	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">AKR1C3, DDH1, HSD17B5, KIAA0119, PGFS ([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">AKR1C3, DDH1, HSD17B5, KIAA0119, PGFS ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])</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=4h7c FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4h7c OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4h7c RCSB], [http://www.ebi.ac.uk/pdbsum/4h7c 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=4h7c FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4h7c OCA], [http://pdbe.org/4h7c PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4h7c RCSB], [http://www.ebi.ac.uk/pdbsum/4h7c PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4h7c ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
Line 17:		Line 18:
	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 4h7c" style="background-color:#fffaf0;"></div>

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

OCA at 09:07, 25 December 2014

OCA — Thu, 25 Dec 2014 09:07:21 GMT

←Older revision		Revision as of 09:07, 25 December 2014
Line 3:		Line 3:
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[4h7c]] 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=4H7C OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4H7C FirstGlance]. <br>		<table><tr><td colspan='2'>[[4h7c]] 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=4H7C OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4H7C FirstGlance]. <br>
-	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=10H:1-(4-{[(2R)-2-METHYLPIPERIDIN-1-YL]SULFONYL}PHENYL)-1,3-DIHYDRO-2H-PYRROL-2-ONE'>10H</scene>, <scene name='pdbligand=NAP:NADP+NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NAP</scene><br>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=10H:1-(4-{[(2R)-2-METHYLPIPERIDIN-1-YL]SULFONYL}PHENYL)-1,3-DIHYDRO-2H-PYRROL-2-ONE'>10H</scene>, <scene name='pdbligand=NAP:NADP+NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NAP</scene></td></tr>
-	<tr><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">AKR1C3, DDH1, HSD17B5, KIAA0119, PGFS ([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">AKR1C3, DDH1, HSD17B5, KIAA0119, PGFS ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])</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=4h7c FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4h7c OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4h7c RCSB], [http://www.ebi.ac.uk/pdbsum/4h7c 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=4h7c FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4h7c OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4h7c RCSB], [http://www.ebi.ac.uk/pdbsum/4h7c PDBsum]</span></td></tr>
-	<table>	+	</table>
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/AK1C3_HUMAN AK1C3_HUMAN]] Catalyzes the conversion of aldehydes and ketones to alcohols. Catalyzes the reduction of prostaglandin (PG) D2, PGH2 and phenanthrenequinone (PQ) and the oxidation of 9-alpha,11-beta-PGF2 to PGD2. Functions as a bi-directional 3-alpha-, 17-beta- and 20-alpha HSD. Can interconvert active androgens, estrogens and progestins with their cognate inactive metabolites. Preferentially transforms androstenedione (4-dione) to testosterone.
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 23:		Line 25:
	</StructureSection>		</StructureSection>
	[[Category: Human]]		[[Category: Human]]
-	[[Category: Denny, W A.]]	+	[[Category: Denny, W A]]
-	[[Category: Flanagan, J U.]]	+	[[Category: Flanagan, J U]]
-	[[Category: Heinrich, D.]]	+	[[Category: Heinrich, D]]
-	[[Category: Jamieson, S M.F.]]	+	[[Category: Jamieson, S M.F]]
-	[[Category: Owen, P J.]]	+	[[Category: Owen, P J]]
-	[[Category: Raynham, T.]]	+	[[Category: Raynham, T]]
-	[[Category: Rigoreau, L J.M.]]	+	[[Category: Rigoreau, L J.M]]
-	[[Category: Samlal, S S.]]	+	[[Category: Samlal, S S]]
-	[[Category: Schroeder, E.]]	+	[[Category: Schroeder, E]]
-	[[Category: Silva, S.]]	+	[[Category: Silva, S]]
-	[[Category: Soudy, C.]]	+	[[Category: Soudy, C]]
-	[[Category: Trivier, E.]]	+	[[Category: Trivier, E]]
-	[[Category: Turnbull, A P.]]	+	[[Category: Turnbull, A P]]
	[[Category: Aldo-keto reductase]]		[[Category: Aldo-keto reductase]]
	[[Category: Oxidoreductase-oxidoreductase inhibitor complex]]		[[Category: Oxidoreductase-oxidoreductase inhibitor complex]]
	[[Category: Tim-barrel]]		[[Category: Tim-barrel]]

OCA at 07:51, 9 July 2014

OCA — Wed, 09 Jul 2014 07:51:06 GMT

←Older revision		Revision as of 07:51, 9 July 2014
Line 1:		Line 1:
-	'''~~Unreleased~~ structure'''	+	==Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 in complex with 1-{4-[(2-methyl-1-piperidinyl)sulfonyl]phenyl}-2-pyrrolidinone==
		+	<StructureSection load='4h7c' size='340' side='right' caption='[[4h7c]], [[Resolution\|resolution]] 1.97Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[4h7c]] 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=4H7C OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4H7C FirstGlance]. <br>
		+	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=10H:1-(4-{[(2R)-2-METHYLPIPERIDIN-1-YL]SULFONYL}PHENYL)-1,3-DIHYDRO-2H-PYRROL-2-ONE'>10H</scene>, <scene name='pdbligand=NAP:NADP+NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NAP</scene><br>
		+	<tr><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">AKR1C3, DDH1, HSD17B5, KIAA0119, PGFS ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])</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=4h7c FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4h7c OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4h7c RCSB], [http://www.ebi.ac.uk/pdbsum/4h7c PDBsum]</span></td></tr>
		+	<table>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	High expression of the aldo-keto reductase enzyme AKR1C3 in the human prostate and breast has implicated it in the development and progression of leukemias and of prostate and breast cancers. Inhibitors are thus of interest as potential drugs. Most inhibitors of AKR1C3 are carboxylic acids, whose transport into cells is likely dominated by carrier-mediated processes. We describe here a series of (piperidinosulfonamidophenyl)pyrrolidin-2-ones as potent (<100 nM) and isoform-selective non-carboxylate inhibitors of AKR1C3. Structure-activity relationships identified the sulfonamide was critical, and a crystal structure showed the 2-pyrrolidinone does not interact directly with residues in the oxyanion hole. Variations in the position, co-planarity or electronic nature of the pyrrolidinone ring severely diminished activity, as did altering the size or polarity of the piperidino ring. There was a broad correlation between the enzyme potencies of the compounds and their effectiveness at inhibiting AKR1C3 activity in cells.

-	~~The entry 4h7c is ON HOLD until Paper Publication~~	+	Synthesis and structure-activity relationships for 1-(4-(piperidin-1-ylsulfonyl)phenyl)pyrrolidin-2-ones as novel non-carboxylate inhibitors of the aldo-keto reductase enzyme AKR1C3.,Heinrich DM, Flanagan JU, Jamieson SM, Silva S, Rigoreau LJ, Trivier E, Raynham T, Turnbull AP, Denny WA Eur J Med Chem. 2013 Feb 9;62C:738-744. doi: 10.1016/j.ejmech.2013.01.047. PMID:23454516<ref>PMID:23454516</ref>

-	~~Authors: Turnbull~~, ~~A.P., Heinrich, D., Jamieson, S.M.F., Flanagan, J.~~U.~~, Silva,~~ S.~~, Rigoreau, L.J.M., Trivier, E., Soudy, C., Samlal, S.S., Owen, P.J., Schroeder, E., Raynham, T., Denny, W.A~~.	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
		+	</div>

-	~~Description~~: ~~Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 in complex with 1-{4~~-[~~(2-methyl~~-~~1-piperidinyl)sulfonyl~~]~~phenyl}~~-~~2-pyrrolidinone~~	+	==See Also==
		+	*[[Prostaglandin F synthase\|Prostaglandin F synthase]]
		+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Human]]
		+	[[Category: Denny, W A.]]
		+	[[Category: Flanagan, J U.]]
		+	[[Category: Heinrich, D.]]
		+	[[Category: Jamieson, S M.F.]]
		+	[[Category: Owen, P J.]]
		+	[[Category: Raynham, T.]]
		+	[[Category: Rigoreau, L J.M.]]
		+	[[Category: Samlal, S S.]]
		+	[[Category: Schroeder, E.]]
		+	[[Category: Silva, S.]]
		+	[[Category: Soudy, C.]]
		+	[[Category: Trivier, E.]]
		+	[[Category: Turnbull, A P.]]
		+	[[Category: Aldo-keto reductase]]
		+	[[Category: Oxidoreductase-oxidoreductase inhibitor complex]]
		+	[[Category: Tim-barrel]]

OCA at 05:48, 3 October 2012

OCA — Wed, 03 Oct 2012 05:48:31 GMT

←Older revision		Revision as of 05:48, 3 October 2012
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 4h7c is ON HOLD	+	The entry 4h7c is ON HOLD until Paper Publication

-	Authors: Turnbull, A.P., Heinrich, D., Jamieson, S.M.F., Flanagan, J.U., Silva, S., Rigoreau, L.J.M. , Trivier, E., Soudy, C., Samlal, S.S., Owen, P.J., Schroeder, E., Raynham, T., Denny, W.A.	+	Authors: Turnbull, A.P., Heinrich, D., Jamieson, S.M.F., Flanagan, J.U., Silva, S., Rigoreau, L.J.M., Trivier, E., Soudy, C., Samlal, S.S., Owen, P.J., Schroeder, E., Raynham, T., Denny, W.A.

	Description: Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 in complex with 1-{4-[(2-methyl-1-piperidinyl)sulfonyl]phenyl}-2-pyrrolidinone		Description: Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 in complex with 1-{4-[(2-methyl-1-piperidinyl)sulfonyl]phenyl}-2-pyrrolidinone

OCA: Protected "4h7c" [edit=sysop:move=sysop]

OCA — Wed, 26 Sep 2012 20:15:03 GMT

Protected "4h7c" [edit=sysop:move=sysop]

←Older revision

Revision as of 20:15, 26 September 2012

OCA: New page: '''Unreleased structure''' The entry 4h7c is ON HOLD Authors: Turnbull, A.P., Heinrich, D., Jamieson, S.M.F., Flanagan, J.U., Silva, S., Rigoreau, L.J.M. , Trivier, E., Soudy, C., Samla...

OCA — Wed, 26 Sep 2012 20:15:02 GMT

New page: '''Unreleased structure''' The entry 4h7c is ON HOLD Authors: Turnbull, A.P., Heinrich, D., Jamieson, S.M.F., Flanagan, J.U., Silva, S., Rigoreau, L.J.M. , Trivier, E., Soudy, C., Samla...

New page

'''Unreleased structure'''

The entry 4h7c is ON HOLD

Authors: Turnbull, A.P., Heinrich, D., Jamieson, S.M.F., Flanagan, J.U., Silva, S., Rigoreau, L.J.M. , Trivier, E., Soudy, C., Samlal, S.S., Owen, P.J., Schroeder, E., Raynham, T., Denny, W.A.

Description: Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 in complex with 1-{4-[(2-methyl-1-piperidinyl)sulfonyl]phenyl}-2-pyrrolidinone