2a4r: Difference between revisions

Line 1:

[[~~Image~~:~~2a4r~~.~~png~~|~~left~~|~~200px~~]]

==HCV NS3 Protease Domain with a Ketoamide Inhibitor Covalently bound.==

== Structural highlights ==

<table><tr><td colspan='2'>[[2a4r]] is a 4 chain structure with sequence from [http://en.wikipedia.org/wiki/Hepatitis_c_virus Hepatitis c virus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2A4R OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2A4R FirstGlance]. <br>

</td></tr><tr><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=BNH:[(N-{3-[(N-{CYCLOHEXYL[(ISOBUTOXYCARBONYL)AMINO]ACETYL}-3-CYCLOPROPYLALANYL)AMINO]-4-CYCLOPROPYL-2-OXOBUTANOYL}GLYCYL)AMINO](PHENYL)ACETIC+ACID'>BNH</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene><br>

<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=2a4r FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2a4r OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2a4r RCSB], [http://www.ebi.ac.uk/pdbsum/2a4r PDBsum]</span></td></tr>

<table>

== Publication Abstract from PubMed ==

Modification of the P(2) and P(1) side chains of earlier P(3)-capped alpha-ketoamide inhibitor of HCV NS3 serine protease 1 resulted in the discovery of compound 24 with about 10-fold improvement in potency.

~~{{STRUCTURE_2a4r| PDB=2a4r | SCENE= }}~~

Hepatitis C virus NS3-4A serine protease inhibitors: use of a P2-P1 cyclopropyl alanine combination for improved potency.,Bogen S, Saksena AK, Arasappan A, Gu H, Njoroge FG, Girijavallabhan V, Pichardo J, Butkiewicz N, Prongay A, Madison V Bioorg Med Chem Lett. 2005 Oct 15;15(20):4515-9. PMID:16112862<ref>PMID:16112862</ref>

~~===HCV NS3 Protease Domain with~~ a ~~Ketoamide Inhibitor Covalently bound~~.~~===~~

From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>

</div>

~~{{ABSTRACT_PUBMED_16112862}}~~

~~==About this Structure==~~

~~[[2a4r]] is a 4 chain structure with sequence from [http://en~~.~~wikipedia~~.~~org/wiki/Hepatitis_c_virus Hepatitis c virus]. Full crystallographic information is available from [http://oca.weizmann.ac.il~~/~~oca-bin/ocashort?id=2A4R OCA].~~

==See Also==

*[[Helicase|Helicase]]

== References ==

==~~Reference~~==

<~~ref group="xtra">PMID:016112862<~~/~~ref~~><~~ref group="xtra">PMID:008861917</ref><ref group="xtra">PMID:016087332</ref><references group="xtra"~~/>

__TOC__

</StructureSection>

[[Category: Hepatitis c virus]]

[[Category: Arasappan, A.]]

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@@ Line 1: / Line 1: @@
-[[Image:2a4r.png|left|200px]]
+==HCV NS3 Protease Domain with a Ketoamide Inhibitor Covalently bound.==
+<StructureSection load='2a4r' size='340' side='right' caption='[[2a4r]], [[Resolution|resolution]] 2.40&Aring;' scene=''>
+== Structural highlights ==
+<table><tr><td colspan='2'>[[2a4r]] is a 4 chain structure with sequence from [http://en.wikipedia.org/wiki/Hepatitis_c_virus Hepatitis c virus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2A4R OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2A4R FirstGlance]. <br>
+</td></tr><tr><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=BNH:[(N-{3-[(N-{CYCLOHEXYL[(ISOBUTOXYCARBONYL)AMINO]ACETYL}-3-CYCLOPROPYLALANYL)AMINO]-4-CYCLOPROPYL-2-OXOBUTANOYL}GLYCYL)AMINO](PHENYL)ACETIC+ACID'>BNH</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene><br>
+<tr><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[1a1r|1a1r]], [[2a4g|2a4g]], [[1jxp|1jxp]], [[1n1l|1n1l]], [[1ns3|1ns3]], [[1rtl|1rtl]]</td></tr>
+<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=2a4r FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2a4r OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2a4r RCSB], [http://www.ebi.ac.uk/pdbsum/2a4r PDBsum]</span></td></tr>
+<table>
+<div style="background-color:#fffaf0;">
+== Publication Abstract from PubMed ==
+Modification of the P(2) and P(1) side chains of earlier P(3)-capped alpha-ketoamide inhibitor of HCV NS3 serine protease 1 resulted in the discovery of compound 24 with about 10-fold improvement in potency.
-{{STRUCTURE_2a4r|  PDB=2a4r  |  SCENE=  }}
+Hepatitis C virus NS3-4A serine protease inhibitors: use of a P2-P1 cyclopropyl alanine combination for improved potency.,Bogen S, Saksena AK, Arasappan A, Gu H, Njoroge FG, Girijavallabhan V, Pichardo J, Butkiewicz N, Prongay A, Madison V Bioorg Med Chem Lett. 2005 Oct 15;15(20):4515-9. PMID:16112862<ref>PMID:16112862</ref>
-===HCV NS3 Protease Domain with a Ketoamide Inhibitor Covalently bound.===
+From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
+</div>
-{{ABSTRACT_PUBMED_16112862}}
-==About this Structure==
-[[2a4r]] is a 4 chain structure with sequence from [http://en.wikipedia.org/wiki/Hepatitis_c_virus Hepatitis c virus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2A4R OCA].
 ==See Also==
 *[[Helicase|Helicase]]
+== References ==
-==Reference==
+<references/>
-<ref group="xtra">PMID:016112862</ref><ref group="xtra">PMID:008861917</ref><ref group="xtra">PMID:016087332</ref><references group="xtra"/>
+__TOC__
+</StructureSection>
 [[Category: Hepatitis c virus]]
 [[Category: Arasappan, A.]]