3vhc: Difference between revisions

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-[[Image:3vhc.jpg|left|200px]]
+==Hsp90 alpha N-terminal domain in complex with a macrocyclic inhibitor==
+<StructureSection load='3vhc' size='340' side='right' caption='[[3vhc]], [[Resolution|resolution]] 1.41&Aring;' scene=''>
+== Structural highlights ==
+<table><tr><td colspan='2'>[[3vhc]] 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=3VHC OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3VHC FirstGlance]. <br>
+</td></tr><tr><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=VHC:4-AMINO-20,22-DIMETHYL-13-OXA-7-THIA-3,5,17-TRIAZATETRACYCLO[17.3.1.1~2,6~.1~8,12~]PENTACOSA-1(23),2(25),3,5,8(24),9,11,19,21-NONAEN-18-ONE'>VHC</scene><br>
+<tr><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[3b24|3b24]], [[3b25|3b25]], [[3b26|3b26]], [[3b27|3b27]], [[3b28|3b28]], [[3vha|3vha]], [[3vhd|3vhd]]</td></tr>
+<tr><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">HSP90AA1 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens])</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=3vhc FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3vhc OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3vhc RCSB], [http://www.ebi.ac.uk/pdbsum/3vhc PDBsum]</span></td></tr>
+<table>
+<div style="background-color:#fffaf0;">
+== Publication Abstract from PubMed ==
+Macrocyclic compounds bearing a 2-amino-6-arylpyrimidine moiety were identified as potent heat shock protein 90 (Hsp90) inhibitors by modification of 2-amino-6-aryltriazine derivative (CH5015765). We employed a macrocyclic structure as a skeleton of new inhibitors to mimic the geldanamycin-Hsp90 interactions. Among the identified inhibitors, CH5164840 showed high binding affinity for N-terminal Hsp90alpha (K(d)=0.52nM) and strong anti-proliferative activity against human cancer cell lines (HCT116 IC(50)=0.15muM, NCI-N87 IC(50)=0.066muM). CH5164840 displayed high oral bioavailability in mice (F=70.8%) and potent antitumor efficacy in a HCT116 human colorectal cancer xenograft model (tumor growth inhibition=83%).
-{{STRUCTURE_3vhc|  PDB=3vhc  |  SCENE=  }}
+Design and synthesis of novel macrocyclic 2-amino-6-arylpyrimidine Hsp90 inhibitors.,Suda A, Koyano H, Hayase T, Hada K, Kawasaki K, Komiyama S, Hasegawa K, Fukami TA, Sato S, Miura T, Ono N, Yamazaki T, Saitoh R, Shimma N, Shiratori Y, Tsukuda T Bioorg Med Chem Lett. 2012 Jan 15;22(2):1136-41. Epub 2011 Dec 1. PMID:22192591<ref>PMID:22192591</ref>
-===Hsp90 alpha N-terminal domain in complex with a macrocyclic inhibitor===
+From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
+</div>
-{{ABSTRACT_PUBMED_22192591}}
+==See Also==
+*[[Heat Shock Proteins|Heat Shock Proteins]]
-==About this Structure==
+== References ==
-[[3vhc]] 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=3VHC OCA].
+<references/>
+__TOC__
-==Reference==
+</StructureSection>
-<ref group="xtra">PMID:022192591</ref><references group="xtra"/>
 [[Category: Homo sapiens]]
 [[Category: Fukami, T A.]]
 [[Category: Ono, N.]]
 [[Category: Chaperone-chaperone inhibitor complex]]