3kn2: Difference between revisions

← Older edit Newer edit →

Proteopedia Page Contributors and Editors (what is this?)Proteopedia Page Contributors and Editors (what is this?)

OCA

@@ Line 1: / Line 1: @@
-{{STRUCTURE_3kn2|  PDB=3kn2  |  SCENE=  }}
+==HCV NS3 Protease Domain with ketoamide inhibitor==
-===HCV NS3 Protease Domain with ketoamide inhibitor===
+<StructureSection load='3kn2' size='340' side='right' caption='[[3kn2]], [[Resolution|resolution]] 2.30&Aring;' scene=''>
-{{ABSTRACT_PUBMED_20004570}}
+== Structural highlights ==
+<table><tr><td colspan='2'>[[3kn2]] is a 4 chain structure with sequence from [http://en.wikipedia.org/wiki/Hepatitis_c_virus_subtype_1a Hepatitis c virus subtype 1a]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3KN2 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3KN2 FirstGlance]. <br>
+</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=M66:(1R,2S,5S)-3-{(2S)-2-(2,3-DIHYDRO-1H-INDEN-2-YL)-2-[({(1S)-2,2-DIMETHYL-1-[(2-OXOPIPERIDIN-1-YL)METHYL]PROPYL}CARBAMOYL)AMINO]ACETYL}-6,6-DIMETHYL-N-{(1S)-1-[OXO(PROP-2-EN-1-YLAMINO)ACETYL]BUTYL}-3-AZABICYCLO[3.1.0]HEXANE-2-CARBOXAMIDE'>M66</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>
+<tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">NS3 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=31646 Hepatitis C virus subtype 1a])</td></tr>
+<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3kn2 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3kn2 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3kn2 RCSB], [http://www.ebi.ac.uk/pdbsum/3kn2 PDBsum]</span></td></tr>
+</table>
+<div style="background-color:#fffaf0;">
+== Publication Abstract from PubMed ==
+SAR studies on the extension of P3 unit of Boceprevir (1, SCH 503034) with amides and lactams and their synthesis is described. Extensive SAR studies resulted in the identification of 36 bearing 4, 4-dimethyl lactam as the new P4 cap unit with improved potency (K(i)( *)=15nM, EC 90=70nM) and pharmacokinetic properties (Rat AUC (PO)=3.52microMh) compared to 1.
-==About this Structure==
+P4 capped amides and lactams as HCV NS3 protease inhibitors with improved potency and DMPK profile.,Nair LG, Sannigrahi M, Bogen S, Pinto P, Chen KX, Prongay A, Tong X, Cheng KC, Girijavallabhan V, George Njoroge F Bioorg Med Chem Lett. 2010 Jan 15;20(2):567-70. Epub 2009 Nov 22. PMID:20004570<ref>PMID:20004570</ref>
-[[3kn2]] is a 4 chain structure with sequence from [http://en.wikipedia.org/wiki/Hepatitis_c_virus_subtype_1a Hepatitis c virus subtype 1a]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3KN2 OCA].
-==Reference==
+From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
-<ref group="xtra">PMID:020004570</ref><references group="xtra"/><references/>
+</div>
+== References ==
+<references/>
+__TOC__
+</StructureSection>
 [[Category: Hepatitis c virus subtype 1a]]
-[[Category: Bogen, S.]]
+[[Category: Bogen, S]]
-[[Category: Chen, K X.]]
+[[Category: Chen, K X]]
-[[Category: Nair, L G.]]
+[[Category: Nair, L G]]
-[[Category: Njoroge, G.]]
+[[Category: Njoroge, G]]
-[[Category: Pinto, P.]]
+[[Category: Pinto, P]]
-[[Category: Prongay, A.]]
+[[Category: Prongay, A]]
-[[Category: Sannigrahi, M.]]
+[[Category: Sannigrahi, M]]
 [[Category: Atp-binding]]
 [[Category: Capsid protein]]