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3k1w
From Proteopedia
(Difference between revisions)
(New page: '''Unreleased structure''' The entry 3k1w is ON HOLD Authors: Prade, L. Description: New Classes of Potent and Bioavailable Human Renin Inhibitors ''Page seeded by [http://oca.weizman...) |
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| - | '''Unreleased structure''' | ||
| - | + | ==New Classes of Potent and Bioavailable Human Renin Inhibitors== | |
| + | <StructureSection load='3k1w' size='340' side='right'caption='[[3k1w]], [[Resolution|resolution]] 1.50Å' scene=''> | ||
| + | == Structural highlights == | ||
| + | <table><tr><td colspan='2'>[[3k1w]] 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=3K1W OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=3K1W FirstGlance]. <br> | ||
| + | </td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=BFX:4-{4-[3-(2-BROMO-5-FLUOROPHENOXY)PROPYL]PHENYL}-N-(2-CHLOROBENZYL)-N-CYCLOPROPYL-1,2,5,6-TETRAHYDROPYRIDINE-3-CARBOXAMIDE'>BFX</scene>, <scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=FMT:FORMIC+ACID'>FMT</scene>, <scene name='pdbligand=HSQ:2-(ACETYLAMINO)-2-DEOXY-ALPHA-L-IDOPYRANOSE'>HSQ</scene>, <scene name='pdbligand=NAG:N-ACETYL-D-GLUCOSAMINE'>NAG</scene></td></tr> | ||
| + | <tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Renin Renin], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.23.15 3.4.23.15] </span></td></tr> | ||
| + | <tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://proteopedia.org/fgij/fg.htm?mol=3k1w FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3k1w OCA], [http://pdbe.org/3k1w PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=3k1w RCSB], [http://www.ebi.ac.uk/pdbsum/3k1w PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=3k1w ProSAT]</span></td></tr> | ||
| + | </table> | ||
| + | == Disease == | ||
| + | [[http://www.uniprot.org/uniprot/RENI_HUMAN RENI_HUMAN]] Defects in REN are a cause of renal tubular dysgenesis (RTD) [MIM:[http://omim.org/entry/267430 267430]]. RTD is an autosomal recessive severe disorder of renal tubular development characterized by persistent fetal anuria and perinatal death, probably due to pulmonary hypoplasia from early-onset oligohydramnios (the Potter phenotype).<ref>PMID:16116425</ref> Defects in REN are the cause of familial juvenile hyperuricemic nephropathy type 2 (HNFJ2) [MIM:[http://omim.org/entry/613092 613092]]. It is a renal disease characterized by juvenile onset of hyperuricemia, slowly progressive renal failure and anemia.<ref>PMID:19664745</ref> | ||
| + | == Function == | ||
| + | [[http://www.uniprot.org/uniprot/RENI_HUMAN RENI_HUMAN]] Renin is a highly specific endopeptidase, whose only known function is to generate angiotensin I from angiotensinogen in the plasma, initiating a cascade of reactions that produce an elevation of blood pressure and increased sodium retention by the kidney. | ||
| + | == Evolutionary Conservation == | ||
| + | [[Image:Consurf_key_small.gif|200px|right]] | ||
| + | Check<jmol> | ||
| + | <jmolCheckbox> | ||
| + | <scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/k1/3k1w_consurf.spt"</scriptWhenChecked> | ||
| + | <scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked> | ||
| + | <text>to colour the structure by Evolutionary Conservation</text> | ||
| + | </jmolCheckbox> | ||
| + | </jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/main_output.php?pdb_ID=3k1w ConSurf]. | ||
| + | <div style="clear:both"></div> | ||
| + | <div style="background-color:#fffaf0;"> | ||
| + | == Publication Abstract from PubMed == | ||
| + | New classes of de novo designed renin inhibitors are reported. Some of these compounds display excellent in vitro and in vivo activities toward human renin in a TGR model. The synthesis of these new types of mono- and bicyclic scaffolds are reported, and properties of selected compounds discussed. | ||
| - | + | New classes of potent and bioavailable human renin inhibitors.,Remen L, Bezencon O, Richard-Bildstein S, Bur D, Prade L, Corminboeuf O, Boss C, Grisostomi C, Sifferlen T, Strickner P, Hess P, Delahaye S, Treiber A, Weller T, Binkert C, Steiner B, Fischli W Bioorg Med Chem Lett. 2009 Dec 1;19(23):6762-5. Epub 2009 Oct 1. PMID:19853442<ref>PMID:19853442</ref> | |
| - | + | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |
| + | </div> | ||
| + | <div class="pdbe-citations 3k1w" style="background-color:#fffaf0;"></div> | ||
| - | + | ==See Also== | |
| + | *[[Renin|Renin]] | ||
| + | == References == | ||
| + | <references/> | ||
| + | __TOC__ | ||
| + | </StructureSection> | ||
| + | [[Category: Human]] | ||
| + | [[Category: Large Structures]] | ||
| + | [[Category: Renin]] | ||
| + | [[Category: Prade, L]] | ||
| + | [[Category: Alternative splicing]] | ||
| + | [[Category: Aspartyl protease]] | ||
| + | [[Category: Cleavage on pair of basic residue]] | ||
| + | [[Category: Disease mutation]] | ||
| + | [[Category: Disulfide bond]] | ||
| + | [[Category: Glycoprotein]] | ||
| + | [[Category: Hydrolase]] | ||
| + | [[Category: Membrane]] | ||
| + | [[Category: Polymorphism]] | ||
| + | [[Category: Protease]] | ||
| + | [[Category: Secreted]] | ||
| + | [[Category: Zymogen]] | ||
Current revision
New Classes of Potent and Bioavailable Human Renin Inhibitors
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