4bb5
From Proteopedia
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==Free-Wilson and Structural Approaches to Co-optimising Human and Rodent Isoform Potency for 11b-Hydroxysteroid Dehydrogenase Type 1 11b-HSD1 Inhibitors== | ==Free-Wilson and Structural Approaches to Co-optimising Human and Rodent Isoform Potency for 11b-Hydroxysteroid Dehydrogenase Type 1 11b-HSD1 Inhibitors== | ||
| - | <StructureSection load='4bb5' size='340' side='right' caption='[[4bb5]], [[Resolution|resolution]] 2.20Å' scene=''> | + | <StructureSection load='4bb5' size='340' side='right'caption='[[4bb5]], [[Resolution|resolution]] 2.20Å' scene=''> |
== Structural highlights == | == Structural highlights == | ||
| - | <table><tr><td colspan='2'>[[4bb5]] is a 4 chain structure with sequence from [ | + | <table><tr><td colspan='2'>[[4bb5]] 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=4BB5 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4BB5 FirstGlance]. <br> |
| - | </td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=HD2:4-CYCLOPENTYL-N-[(1S,3R)-5-OXIDANYL-2-ADAMANTYL]-2-[[(3S)-OXOLAN-3-YL]AMINO]PYRIMIDINE-5-CARBOXAMIDE'>HD2</scene>, <scene name='pdbligand=NAP:NADP+NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NAP</scene | + | </td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.2Å</td></tr> |
| - | + | <tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=HD2:4-CYCLOPENTYL-N-[(1S,3R)-5-OXIDANYL-2-ADAMANTYL]-2-[[(3S)-OXOLAN-3-YL]AMINO]PYRIMIDINE-5-CARBOXAMIDE'>HD2</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=4bb5 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4bb5 OCA], [https://pdbe.org/4bb5 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4bb5 RCSB], [https://www.ebi.ac.uk/pdbsum/4bb5 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4bb5 ProSAT]</span></td></tr> | |
| - | <tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[ | + | |
</table> | </table> | ||
== Disease == | == Disease == | ||
| - | [ | + | [https://www.uniprot.org/uniprot/DHI1_HUMAN DHI1_HUMAN] Defects in HSD11B1 are a cause of cortisone reductase deficiency (CRD) [MIM:[https://omim.org/entry/604931 604931]. In CRD, activation of cortisone to cortisol does not occur, resulting in adrenocorticotropin-mediated androgen excess and a phenotype resembling polycystic ovary syndrome (PCOS). |
== Function == | == Function == | ||
| - | [ | + | [https://www.uniprot.org/uniprot/DHI1_HUMAN DHI1_HUMAN] Catalyzes reversibly the conversion of cortisol to the inactive metabolite cortisone. Catalyzes reversibly the conversion of 7-ketocholesterol to 7-beta-hydroxycholesterol. In intact cells, the reaction runs only in one direction, from 7-ketocholesterol to 7-beta-hydroxycholesterol (By similarity). |
<div style="background-color:#fffaf0;"> | <div style="background-color:#fffaf0;"> | ||
== Publication Abstract from PubMed == | == Publication Abstract from PubMed == | ||
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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 4bb5" style="background-color:#fffaf0;"></div> | ||
| + | |||
| + | ==See Also== | ||
| + | *[[Hydroxysteroid dehydrogenase 3D structures|Hydroxysteroid dehydrogenase 3D structures]] | ||
== References == | == References == | ||
<references/> | <references/> | ||
__TOC__ | __TOC__ | ||
</StructureSection> | </StructureSection> | ||
| - | [[Category: 11-beta-hydroxysteroid dehydrogenase]] | ||
[[Category: Homo sapiens]] | [[Category: Homo sapiens]] | ||
| - | [[Category: | + | [[Category: Large Structures]] |
| - | [[Category: | + | [[Category: Bennett SNL]] |
| - | [[Category: | + | [[Category: Bodin C]] |
| - | [[Category: | + | [[Category: Donald CS]] |
| - | [[Category: | + | [[Category: Goldberg FW]] |
| - | [[Category: | + | [[Category: Groombridge SD]] |
| - | [[Category: Gyte | + | [[Category: Gyte AC]] |
| - | [[Category: Leach | + | [[Category: Leach AG]] |
| - | [[Category: | + | [[Category: Morentin Gutierrez P]] |
| - | [[Category: | + | [[Category: Scott JS]] |
| - | [[Category: | + | [[Category: Snelson WL]] |
Current revision
Free-Wilson and Structural Approaches to Co-optimising Human and Rodent Isoform Potency for 11b-Hydroxysteroid Dehydrogenase Type 1 11b-HSD1 Inhibitors
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