4dbw - Revision history

OCA at 14:31, 14 March 2024

OCA — Thu, 14 Mar 2024 14:31:01 GMT

←Older revision		Revision as of 14:31, 14 March 2024
Line 4:		Line 4:
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[4dbw]] is a 2 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=4DBW OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4DBW FirstGlance]. <br>		<table><tr><td colspan='2'>[[4dbw]] is a 2 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=4DBW OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4DBW FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=511:[1-(4-CHLOROBENZOYL)-5-METHOXY-1H-INDOL-3-YL]ACETIC+ACID'>511</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]] 1.802Å</td></tr>
		+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=511:[1-(4-CHLOROBENZOYL)-5-METHOXY-1H-INDOL-3-YL]ACETIC+ACID'>511</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=4dbw FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4dbw OCA], [https://pdbe.org/4dbw PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4dbw RCSB], [https://www.ebi.ac.uk/pdbsum/4dbw PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4dbw 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=4dbw FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4dbw OCA], [https://pdbe.org/4dbw PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4dbw RCSB], [https://www.ebi.ac.uk/pdbsum/4dbw PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4dbw ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
-	[[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.	+	[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;">~~	+
-	~~== Publication Abstract from PubMed ==~~	+
-	Castrate-resistant prostate cancer (CRPC) is a fatal, metastatic form of prostate cancer. CRPC is characterized by reactivation of the androgen axis due to changes in androgen receptor signaling and/or adaptive intratumoral androgen biosynthesis. AKR1C3 is upregulated in CRPC where it catalyzes the formation of potent androgens. This makes AKR1C3 a target for the treatment of CRPC. AKR1C3 inhibitors should not inhibit AKR1C1/AKR1C2, which inactivate 5alpha-dihydrotestosterone. Indomethacin, used to inhibit cyclooxygenase, also inhibits AKR1C3 and displays selectivity over AKR1C1/AKR1C2. Parallel synthetic strategies were used to generate libraries of indomethacin analogues, which exhibit reduced cyclooxygenase inhibitory activity but retain AKR1C3 inhibitory potency and selectivity. The lead compounds inhibited AKR1C3 with nanomolar potency, displayed >100-fold selectivity over AKR1C1/AKR1C2, and blocked testosterone formation in LNCaP-AKR1C3 cells. The AKR1C3.NADP(+).2'-des-methyl-indomethacin crystal structure was determined, and it revealed a unique inhibitor binding mode. The compounds reported are promising agents for the development of therapeutics for CRPC.	+
-		+
-	Development of potent and selective indomethacin analogues for the inhibition of AKR1C3 (Type 5 17beta-hydroxysteroid dehydrogenase/prostaglandin F synthase) in castrate-resistant prostate cancer.,Liedtke AJ, Adeniji AO, Chen M, Byrns MC, Jin Y, Christianson DW, Marnett LJ, Penning TM J Med Chem. 2013 Mar 28;56(6):2429-46. doi: 10.1021/jm3017656. Epub 2013 Mar 13. PMID:23432095<ref>PMID:23432095</ref>	+
-		+
-	~~From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>~~	+
-	~~</div>~~	+
-	~~<div class="pdbe-citations 4dbw" style="background-color:#fffaf0;"></div>~~	+

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

OCA at 08:10, 21 September 2022

OCA — Wed, 21 Sep 2022 08:10:45 GMT

←Older revision		Revision as of 08:10, 21 September 2022
Line 1:		Line 1:

	==Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 (AKR1C3) in complex with NADP+ and 2'-desmethyl-indomethacin==		==Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 (AKR1C3) in complex with NADP+ and 2'-desmethyl-indomethacin==
-	<StructureSection load='4dbw' size='340' side='right' caption='[[4dbw]], [[Resolution\|resolution]] 1.80Å' scene=''>	+	<StructureSection load='4dbw' size='340' side='right'caption='[[4dbw]], [[Resolution\|resolution]] 1.80Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[4dbw]] is a 2 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=4DBW OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=4DBW FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[4dbw]] is a 2 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=4DBW OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4DBW FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=511:[1-(4-CHLOROBENZOYL)-5-METHOXY-1H-INDOL-3-YL]ACETIC+ACID'>511</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=511:[1-(4-CHLOROBENZOYL)-5-METHOXY-1H-INDOL-3-YL]ACETIC+ACID'>511</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=4dbw FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4dbw OCA], [https://pdbe.org/4dbw PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4dbw RCSB], [https://www.ebi.ac.uk/pdbsum/4dbw PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4dbw 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=4dbw FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4dbw OCA], [~~http~~://pdbe.org/4dbw PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=4dbw RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/4dbw PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=4dbw 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: ~~Chen, M~~]]	+	[[Category: Large Structures]]
-	[[Category: ~~Christianson, D W]]~~	+	[[Category: Chen M]]
-	~~[[Category: Marnett, L J]]~~	+	[[Category: Christianson DW]]
-	~~[[Category: Penning, T~~ M]]	+	[[Category: Marnett LJ]]
-	[[Category: ~~Akr1c3 selective inhibitor~~]]	+	[[Category: Penning TM]]
-	[[Category: ~~Castrate resistant prostate cancer~~]]	+
-	[[Category: ~~Oxidoreductase-oxidoreductase inhibitor complex]]~~	+
-	~~[[Category: Steroid metabolism]]~~	+
-	~~[[Category: Tim barrel~~]]	+

OCA at 18:06, 4 August 2016

OCA — Thu, 04 Aug 2016 18:06:01 GMT

←Older revision		Revision as of 18:06, 4 August 2016
Line 1:		Line 1:
		+
	==Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 (AKR1C3) in complex with NADP+ and 2'-desmethyl-indomethacin==		==Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 (AKR1C3) in complex with NADP+ and 2'-desmethyl-indomethacin==
	<StructureSection load='4dbw' size='340' side='right' caption='[[4dbw]], [[Resolution\|resolution]] 1.80Å' scene=''>		<StructureSection load='4dbw' size='340' side='right' caption='[[4dbw]], [[Resolution\|resolution]] 1.80Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[4dbw]] is a 2 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=4DBW OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4DBW FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[4dbw]] is a 2 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=4DBW OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4DBW FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=511:[1-(4-CHLOROBENZOYL)-5-METHOXY-1H-INDOL-3-YL]ACETIC+ACID'>511</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=511:[1-(4-CHLOROBENZOYL)-5-METHOXY-1H-INDOL-3-YL]ACETIC+ACID'>511</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 ~~Homo sapiens~~])</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=4dbw FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4dbw OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4dbw RCSB], [http://www.ebi.ac.uk/pdbsum/4dbw 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=4dbw FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4dbw OCA], [http://pdbe.org/4dbw PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4dbw RCSB], [http://www.ebi.ac.uk/pdbsum/4dbw PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4dbw 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 4dbw" style="background-color:#fffaf0;"></div>

	==See Also==		==See Also==
Line 24:		Line 26:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Homo sapiens~~]]	+	[[Category: Human]]
	[[Category: Chen, M]]		[[Category: Chen, M]]
	[[Category: Christianson, D W]]		[[Category: Christianson, D W]]

OCA at 18:00, 24 December 2014

OCA — Wed, 24 Dec 2014 18:00:44 GMT

←Older revision		Revision as of 18:00, 24 December 2014
Line 1:		Line 1:
-	~~{{STRUCTURE_4dbw\| PDB=4dbw \| SCENE= }}~~	+	==Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 (AKR1C3) in complex with NADP+ and 2'-desmethyl-indomethacin==
-	===Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 (AKR1C3) in complex with NADP+ and 2'-desmethyl-indomethacin===	+	<StructureSection load='4dbw' size='340' side='right' caption='[[4dbw]], [[Resolution\|resolution]] 1.80Å' scene=''>
-	~~{{ABSTRACT_PUBMED_23432095}}~~	+	== Structural highlights ==
-		+	<table><tr><td colspan='2'>[[4dbw]] is a 2 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=4DBW OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4DBW FirstGlance]. <br>
-	==Function==	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=511:[1-(4-CHLOROBENZOYL)-5-METHOXY-1H-INDOL-3-YL]ACETIC+ACID'>511</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 Homo sapiens])</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=4dbw FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4dbw OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4dbw RCSB], [http://www.ebi.ac.uk/pdbsum/4dbw PDBsum]</span></td></tr>
		+	</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.		[[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;">
		+	== Publication Abstract from PubMed ==
		+	Castrate-resistant prostate cancer (CRPC) is a fatal, metastatic form of prostate cancer. CRPC is characterized by reactivation of the androgen axis due to changes in androgen receptor signaling and/or adaptive intratumoral androgen biosynthesis. AKR1C3 is upregulated in CRPC where it catalyzes the formation of potent androgens. This makes AKR1C3 a target for the treatment of CRPC. AKR1C3 inhibitors should not inhibit AKR1C1/AKR1C2, which inactivate 5alpha-dihydrotestosterone. Indomethacin, used to inhibit cyclooxygenase, also inhibits AKR1C3 and displays selectivity over AKR1C1/AKR1C2. Parallel synthetic strategies were used to generate libraries of indomethacin analogues, which exhibit reduced cyclooxygenase inhibitory activity but retain AKR1C3 inhibitory potency and selectivity. The lead compounds inhibited AKR1C3 with nanomolar potency, displayed >100-fold selectivity over AKR1C1/AKR1C2, and blocked testosterone formation in LNCaP-AKR1C3 cells. The AKR1C3.NADP(+).2'-des-methyl-indomethacin crystal structure was determined, and it revealed a unique inhibitor binding mode. The compounds reported are promising agents for the development of therapeutics for CRPC.

-	~~==About this Structure==~~	+	Development of potent and selective indomethacin analogues for the inhibition of AKR1C3 (Type 5 17beta-hydroxysteroid dehydrogenase/prostaglandin F synthase) in castrate-resistant prostate cancer.,Liedtke AJ, Adeniji AO, Chen M, Byrns MC, Jin Y, Christianson DW, Marnett LJ, Penning TM J Med Chem. 2013 Mar 28;56(6):2429-46. doi: 10.1021/jm3017656. Epub 2013 Mar 13. PMID:23432095<ref>PMID:23432095</ref>
-	~~[[4dbw]] is a 2 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=4DBW OCA].~~	+
		+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
		+	</div>

	==See Also==		==See Also==
	*[[Prostaglandin F synthase\|Prostaglandin F synthase]]		*[[Prostaglandin F synthase\|Prostaglandin F synthase]]
-		+	== References ==
-	==~~Reference~~==	+	<references/>
-	~~<ref group="xtra">PMID:023432095</ref>~~<references ~~group="xtra"~~/><~~references~~/>	+	__TOC__
		+	</StructureSection>
	[[Category: Homo sapiens]]		[[Category: Homo sapiens]]
-	[[Category: Chen, M.]]	+	[[Category: Chen, M]]
-	[[Category: Christianson, D W.]]	+	[[Category: Christianson, D W]]
-	[[Category: Marnett, L J.]]	+	[[Category: Marnett, L J]]
-	[[Category: Penning, T M.]]	+	[[Category: Penning, T M]]
	[[Category: Akr1c3 selective inhibitor]]		[[Category: Akr1c3 selective inhibitor]]
	[[Category: Castrate resistant prostate cancer]]		[[Category: Castrate resistant prostate cancer]]

OCA at 05:16, 28 August 2013

OCA — Wed, 28 Aug 2013 05:16:28 GMT

←Older revision		Revision as of 05:16, 28 August 2013
Line 1:		Line 1:
-	[[Image:4dbw.jpg\|left\|200px]]
-
	{{STRUCTURE_4dbw\| PDB=4dbw \| SCENE= }}		{{STRUCTURE_4dbw\| PDB=4dbw \| SCENE= }}
-
	===Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 (AKR1C3) in complex with NADP+ and 2'-desmethyl-indomethacin===		===Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 (AKR1C3) in complex with NADP+ and 2'-desmethyl-indomethacin===
		+	{{ABSTRACT_PUBMED_23432095}}

		+	==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.

	==About this Structure==		==About this Structure==
	[[4dbw]] is a 2 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=4DBW OCA].		[[4dbw]] is a 2 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=4DBW OCA].
		+
		+	==See Also==
		+	*[[Prostaglandin F synthase\|Prostaglandin F synthase]]
		+
		+	==Reference==
		+	<ref group="xtra">PMID:023432095</ref><references group="xtra"/><references/>
	[[Category: Homo sapiens]]		[[Category: Homo sapiens]]
	[[Category: Chen, M.]]		[[Category: Chen, M.]]

OCA at 14:23, 6 March 2013

OCA — Wed, 06 Mar 2013 14:23:06 GMT

←Older revision		Revision as of 14:23, 6 March 2013
Line 1:		Line 1:
-	~~'''Unreleased structure'''~~	+	[[Image:4dbw.jpg\|left\|200px]]

-	~~The entry~~ 4dbw ~~is ON HOLD~~ ~~until Apr 17 2014~~	+	{{STRUCTURE_4dbw\| PDB=4dbw \| SCENE= }}

-	~~Authors: Chen, M., Christianson, D.W., Marnett, L.J., Penning, T.M.~~	+	===Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 (AKR1C3) in complex with NADP+ and 2'-desmethyl-indomethacin===

-	~~Description: Crystal~~ structure ~~of human 17beta-hydroxysteroid dehydrogenase type 5 (AKR1C3) in complex~~ with ~~NADP+ and 2'~~-~~desmethyl~~-~~indomethacin~~	+
		+	==About this Structure==
		+	[[4dbw]] is a 2 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=4DBW OCA].
		+	[[Category: Homo sapiens]]
		+	[[Category: Chen, M.]]
		+	[[Category: Christianson, D W.]]
		+	[[Category: Marnett, L J.]]
		+	[[Category: Penning, T M.]]
		+	[[Category: Akr1c3 selective inhibitor]]
		+	[[Category: Castrate resistant prostate cancer]]
		+	[[Category: Oxidoreductase-oxidoreductase inhibitor complex]]
		+	[[Category: Steroid metabolism]]
		+	[[Category: Tim barrel]]

OCA at 08:42, 2 January 2013

OCA — Wed, 02 Jan 2013 08:42:20 GMT

←Older revision		Revision as of 08:42, 2 January 2013
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 4dbw is ON HOLD until ~~Paper Publication~~	+	The entry 4dbw is ON HOLD until Apr 17 2014

	Authors: Chen, M., Christianson, D.W., Marnett, L.J., Penning, T.M.		Authors: Chen, M., Christianson, D.W., Marnett, L.J., Penning, T.M.

	Description: Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 (AKR1C3) in complex with NADP+ and 2'-desmethyl-indomethacin		Description: Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 (AKR1C3) in complex with NADP+ and 2'-desmethyl-indomethacin

OCA at 06:09, 14 March 2012

OCA — Wed, 14 Mar 2012 06:09:30 GMT

←Older revision		Revision as of 06:09, 14 March 2012
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

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

	Authors: Chen, M., Christianson, D.W., Marnett, L.J., Penning, T.M.		Authors: Chen, M., Christianson, D.W., Marnett, L.J., Penning, T.M.

	Description: Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 (AKR1C3) in complex with NADP+ and 2'-desmethyl-indomethacin		Description: Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 (AKR1C3) in complex with NADP+ and 2'-desmethyl-indomethacin

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

OCA — Wed, 25 Jan 2012 06:10:59 GMT

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

←Older revision

Revision as of 06:10, 25 January 2012

OCA: New page: '''Unreleased structure''' The entry 4dbw is ON HOLD Authors: Chen, M., Christianson, D.W., Marnett, L.J., Penning, T.M. Description: Crystal structure of human 17beta-hydroxysteroid d...

OCA — Wed, 25 Jan 2012 06:10:58 GMT

New page: '''Unreleased structure''' The entry 4dbw is ON HOLD Authors: Chen, M., Christianson, D.W., Marnett, L.J., Penning, T.M. Description: Crystal structure of human 17beta-hydroxysteroid d...

New page

'''Unreleased structure'''

The entry 4dbw is ON HOLD

Authors: Chen, M., Christianson, D.W., Marnett, L.J., Penning, T.M.

Description: Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 (AKR1C3) in complex with NADP+ and 2'-desmethyl-indomethacin