4d8n

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[[Image:4d8n.png|left|200px]]
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==Human Kallikrein 6 Inhibitors with a para-Amidobenzylanmine P1 Group Carry a High Binding Efficiency==
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<StructureSection load='4d8n' size='340' side='right' caption='[[4d8n]], [[Resolution|resolution]] 1.68&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[4d8n]] is a 1 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=4D8N OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4D8N FirstGlance]. <br>
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</td></tr><tr><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=0HM:2-{[4-(AMINOMETHYL)PHENYL]CARBAMOYL}-1-[(1-BENZYL-1H-IMIDAZOL-2-YL)METHYL]-3-HYDROXYPYRIDINIUM'>0HM</scene><br>
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<tr><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">KLK6, PRSS18, PRSS9 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens])</td></tr>
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<tr><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4d8n FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4d8n OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4d8n RCSB], [http://www.ebi.ac.uk/pdbsum/4d8n PDBsum]</span></td></tr>
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<table>
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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A series of hK6 inhibitors with a para-amidobenzylamine P1 group and a 2-hydroxybenzamide scaffold linker was discovered through virtual screening. The X-ray structure of hK6 complexed with compound 9b was determined to a resolution of 1.68A. The tertiary folding of the hK6 complexed with the inhibitor is conserved relative to the structure of the apo-protein, whereas the interaction between hK6 and the inhibitor is consistent with both the SAR and the in silico model used in the virtual screening.
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Human kallikrein 6 inhibitors with a para-amidobenzylanmine P1 group identified through virtual screening.,Liang G, Chen X, Aldous S, Pu SF, Mehdi S, Powers E, Xia T, Wang R Bioorg Med Chem Lett. 2012 Apr 1;22(7):2450-5. Epub 2012 Feb 14. PMID:22386244<ref>PMID:22386244</ref>
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The line below this paragraph, containing "STRUCTURE_4d8n", creates the "Structure Box" on the page.
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You may change the PDB parameter (which sets the PDB file loaded into the applet)
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or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
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or leave the SCENE parameter empty for the default display.
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{{STRUCTURE_4d8n| PDB=4d8n | SCENE= }}
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===Human Kallikrein 6 Inhibitors with a para-Amidobenzylanmine P1 Group Carry a High Binding Efficiency===
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From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
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</div>
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== References ==
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<references/>
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The line below this paragraph, {{ABSTRACT_PUBMED_22386244}}, adds the Publication Abstract to the page
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__TOC__
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(as it appears on PubMed at http://www.pubmed.gov), where 22386244 is the PubMed ID number.
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</StructureSection>
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{{ABSTRACT_PUBMED_22386244}}
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==About this Structure==
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[[4d8n]] is a 1 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=4D8N OCA].
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==Reference==
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<ref group="xtra">PMID:022386244</ref><references group="xtra"/>
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[[Category: Homo sapiens]]
[[Category: Homo sapiens]]
[[Category: Chen, X.]]
[[Category: Chen, X.]]

Revision as of 07:24, 5 June 2014

Human Kallikrein 6 Inhibitors with a para-Amidobenzylanmine P1 Group Carry a High Binding Efficiency

4d8n, resolution 1.68Å

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