6f2u
From Proteopedia
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| - | '''Unreleased structure''' | ||
| - | + | ==Potent and selective Aldo-Keto Reductase 1C3 (AKR1C3) inhibitors based on the benzoisoxazole moiety: application of a Bioisosteric Scaffold Hopping Approach to Flufenamic acid== | |
| - | + | <StructureSection load='6f2u' size='340' side='right' caption='[[6f2u]], [[Resolution|resolution]] 1.88Å' scene=''> | |
| - | + | == Structural highlights == | |
| - | + | <table><tr><td colspan='2'>[[6f2u]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6F2U OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6F2U FirstGlance]. <br> | |
| - | + | </td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CJ2:3-[(4-methoxyphenyl)methyl]-5-oxidanyl-~{N}-[3-(trifluoromethyl)phenyl]-1,2,3-triazole-4-carboxamide'>CJ2</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'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6f2u FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6f2u OCA], [http://pdbe.org/6f2u PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6f2u RCSB], [http://www.ebi.ac.uk/pdbsum/6f2u PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6f2u ProSAT]</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. | ||
| + | __TOC__ | ||
| + | </StructureSection> | ||
| + | [[Category: Friemann, R]] | ||
[[Category: Goyal, P]] | [[Category: Goyal, P]] | ||
| - | [[Category: | + | [[Category: Wahlgren, W Y]] |
| + | [[Category: 17b-hsd5]] | ||
| + | [[Category: Akr1c3]] | ||
| + | [[Category: Aldo-keto reductase 1c3]] | ||
| + | [[Category: Bioisosterism]] | ||
| + | [[Category: Crpc]] | ||
| + | [[Category: Inhibitor]] | ||
| + | [[Category: Oxidoreductase]] | ||
| + | [[Category: Scaffold hopping]] | ||
| + | [[Category: X-ray crystallography]] | ||
Revision as of 06:01, 4 April 2018
Potent and selective Aldo-Keto Reductase 1C3 (AKR1C3) inhibitors based on the benzoisoxazole moiety: application of a Bioisosteric Scaffold Hopping Approach to Flufenamic acid
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