3oot: Difference between revisions

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-{{STRUCTURE_3oot|  PDB=3oot  |  SCENE=  }}
-===Crystal Structure Analysis of Renin-indole-piperazin inhibitor complexes===
-{{ABSTRACT_PUBMED_20850300}}
-==Disease==
+==Crystal Structure Analysis of Renin-indole-piperazin inhibitor complexes==
-[[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>
+<StructureSection load='3oot' size='340' side='right'caption='[[3oot]], [[Resolution|resolution]] 2.55&Aring;' scene=''>
+== Structural highlights ==
+<table><tr><td colspan='2'>[[3oot]] 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=3OOT OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3OOT FirstGlance]. <br>
+</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.55&#8491;</td></tr>
+<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=NAG:N-ACETYL-D-GLUCOSAMINE'>NAG</scene>, <scene name='pdbligand=SSR:2-(3-FLUORO-2-METHYLBENZYL)-4-METHYL-1-PHENYL-3-(PIPERAZIN-1-YLCARBONYL)-1H-INDOL-5-OL'>SSR</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=3oot FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3oot OCA], [https://pdbe.org/3oot PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3oot RCSB], [https://www.ebi.ac.uk/pdbsum/3oot PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3oot ProSAT]</span></td></tr>
+</table>
+== Disease ==
+[https://www.uniprot.org/uniprot/RENI_HUMAN RENI_HUMAN] Defects in REN are a cause of renal tubular dysgenesis (RTD) [MIM:[https://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:[https://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 ==
+[https://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.
+<div style="background-color:#fffaf0;">
+== Publication Abstract from PubMed ==
+Selective inhibition of the aspartyl protease renin has gained attraction as an interesting approach to control hypertension and associated cardiovascular risk factors given its unique position in the renin-angiotensin system. Using a combination of high-throughput screening, parallel synthesis, X-ray crystallography and structure-based design, we identified and optimized a novel series of potent and non-chiral indole-3-carboxamides with remarkable potency for renin. The most potent compound 5k displays an IC(50) value of 2nM.
-==Function==
+Discovery and optimization of a new class of potent and non-chiral indole-3-carboxamide-based renin inhibitors.,Scheiper B, Matter H, Steinhagen H, Stilz U, Bocskei Z, Fleury V, McCort G Bioorg Med Chem Lett. 2010 Nov 1;20(21):6268-72. Epub 2010 Aug 21. PMID:20850300<ref>PMID:20850300</ref>
-[[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.
-==About this Structure==
+From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
-[[3oot]] 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=3OOT OCA].
+</div>
+<div class="pdbe-citations 3oot" style="background-color:#fffaf0;"></div>
 ==See Also==
 *[[Renin|Renin]]
+== References ==
-==Reference==
+<references/>
-<ref group="xtra">PMID:020850300</ref><references group="xtra"/><references/>
+__TOC__
+</StructureSection>
 [[Category: Homo sapiens]]
-[[Category: Renin]]
+[[Category: Large Structures]]
-[[Category: Bocskei, Z.]]
+[[Category: Bocskei Z]]
-[[Category: Aspartyl protease]]
-[[Category: Hydrolase]]
-[[Category: Hypertension]]
-[[Category: Renin human]]
-[[Category: Renin inhibition]]