1yk7
From Proteopedia
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| - | {{STRUCTURE_1yk7| PDB=1yk7 | SCENE= }} | ||
| - | ===Cathepsin K complexed with a cyanopyrrolidine inhibitor=== | ||
| - | {{ABSTRACT_PUBMED_15780613}} | ||
| - | == | + | ==Cathepsin K complexed with a cyanopyrrolidine inhibitor== |
| - | [[http://www.uniprot.org/uniprot/CATK_HUMAN CATK_HUMAN | + | <StructureSection load='1yk7' size='340' side='right'caption='[[1yk7]], [[Resolution|resolution]] 2.50Å' scene=''> |
| + | == Structural highlights == | ||
| + | <table><tr><td colspan='2'>[[1yk7]] is a 1 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=1YK7 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1YK7 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]] 2.5Å</td></tr> | ||
| + | <tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=NBL:N2-[(BENZYLOXY)CARBONYL]-N1-[(3S)-1-CYANOPYRROLIDIN-3-YL]-L-LEUCINAMIDE'>NBL</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=1yk7 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1yk7 OCA], [https://pdbe.org/1yk7 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1yk7 RCSB], [https://www.ebi.ac.uk/pdbsum/1yk7 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1yk7 ProSAT]</span></td></tr> | ||
| + | </table> | ||
| + | == Disease == | ||
| + | [https://www.uniprot.org/uniprot/CATK_HUMAN CATK_HUMAN] Defects in CTSK are the cause of pycnodysostosis (PKND) [MIM:[https://omim.org/entry/265800 265800]. PKND is an autosomal recessive osteochondrodysplasia characterized by osteosclerosis and short stature.<ref>PMID:8703060</ref> <ref>PMID:9529353</ref> <ref>PMID:10491211</ref> <ref>PMID:10878663</ref> | ||
| + | == Function == | ||
| + | [https://www.uniprot.org/uniprot/CATK_HUMAN CATK_HUMAN] Closely involved in osteoclastic bone resorption and may participate partially in the disorder of bone remodeling. Displays potent endoprotease activity against fibrinogen at acid pH. May play an important role in extracellular matrix degradation. | ||
| + | == 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/yk/1yk7_consurf.spt"</scriptWhenChecked> | ||
| + | <scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview03.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=1yk7 ConSurf]. | ||
| + | <div style="clear:both"></div> | ||
| + | <div style="background-color:#fffaf0;"> | ||
| + | == Publication Abstract from PubMed == | ||
| + | Starting from a PDE IV inhibitor hit derived from high throughput screening of the compound collection, a key pyrrolidine cyanamide pharmacophore was identified. Modifications of the pyrrolidine ring produced enhancements in cathepsin K inhibition. An X-ray co-crystal structure of a cyanamide with cathepsin K confirmed the mode of inhibition. | ||
| - | + | Novel and potent cyclic cyanamide-based cathepsin K inhibitors.,Deaton DN, Hassell AM, McFadyen RB, Miller AB, Miller LR, Shewchuk LM, Tavares FX, Willard DH Jr, Wright LL Bioorg Med Chem Lett. 2005 Apr 1;15(7):1815-9. PMID:15780613<ref>PMID:15780613</ref> | |
| - | + | ||
| - | + | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |
| - | + | </div> | |
| + | <div class="pdbe-citations 1yk7" style="background-color:#fffaf0;"></div> | ||
==See Also== | ==See Also== | ||
| - | *[[Cathepsin|Cathepsin]] | + | *[[Cathepsin 3D structures|Cathepsin 3D structures]] |
| - | + | == References == | |
| - | == | + | <references/> |
| - | + | __TOC__ | |
| - | + | </StructureSection> | |
[[Category: Homo sapiens]] | [[Category: Homo sapiens]] | ||
| - | [[Category: Barrett | + | [[Category: Large Structures]] |
| - | [[Category: Deaton | + | [[Category: Barrett DG]] |
| - | [[Category: Hassell | + | [[Category: Deaton DN]] |
| - | [[Category: McFadyen | + | [[Category: Hassell AM]] |
| - | [[Category: Miller | + | [[Category: McFadyen RB]] |
| - | [[Category: Miller | + | [[Category: Miller AB]] |
| - | [[Category: Shewchuk | + | [[Category: Miller LR]] |
| - | [[Category: Tavares | + | [[Category: Shewchuk LM]] |
| - | [[Category: Willard | + | [[Category: Tavares FX]] |
| - | [[Category: Wright | + | [[Category: Willard DH]] |
| - | + | [[Category: Wright LL]] | |
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Current revision
Cathepsin K complexed with a cyanopyrrolidine inhibitor
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Categories: Homo sapiens | Large Structures | Barrett DG | Deaton DN | Hassell AM | McFadyen RB | Miller AB | Miller LR | Shewchuk LM | Tavares FX | Willard DH | Wright LL
