3vhc: Difference between revisions

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 ==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=''>
+<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/Human Human]. 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>
+<table><tr><td colspan='2'>[[3vhc]] 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=3VHC OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3VHC FirstGlance]. <br>
-</td></tr><tr id='ligand'><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></td></tr>
+</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 1.41&#8491;</td></tr>
-<tr id='related'><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 id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><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></td></tr>
-<tr id='gene'><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 HUMAN])</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=3vhc FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3vhc OCA], [https://pdbe.org/3vhc PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3vhc RCSB], [https://www.ebi.ac.uk/pdbsum/3vhc PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3vhc ProSAT]</span></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=3vhc FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3vhc OCA], [http://pdbe.org/3vhc PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=3vhc RCSB], [http://www.ebi.ac.uk/pdbsum/3vhc PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=3vhc ProSAT]</span></td></tr>
 </table>
 == Function ==
-[[http://www.uniprot.org/uniprot/HS90A_HUMAN HS90A_HUMAN]] Molecular chaperone that promotes the maturation, structural maintenance and proper regulation of specific target proteins involved for instance in cell cycle control and signal transduction. Undergoes a functional cycle that is linked to its ATPase activity. This cycle probably induces conformational changes in the client proteins, thereby causing their activation. Interacts dynamically with various co-chaperones that modulate its substrate recognition, ATPase cycle and chaperone function.<ref>PMID:15937123</ref> <ref>PMID:11274138</ref>
+[https://www.uniprot.org/uniprot/HS90A_HUMAN HS90A_HUMAN] Molecular chaperone that promotes the maturation, structural maintenance and proper regulation of specific target proteins involved for instance in cell cycle control and signal transduction. Undergoes a functional cycle that is linked to its ATPase activity. This cycle probably induces conformational changes in the client proteins, thereby causing their activation. Interacts dynamically with various co-chaperones that modulate its substrate recognition, ATPase cycle and chaperone function.<ref>PMID:15937123</ref> <ref>PMID:11274138</ref>
-<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%).
-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>
+==See Also==
+*[[Heat Shock Protein structures|Heat Shock Protein structures]]
-From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
-</div>
-<div class="pdbe-citations 3vhc" style="background-color:#fffaf0;"></div>
 == References ==
 <references/>
 __TOC__
 </StructureSection>
-[[Category: Human]]
+[[Category: Homo sapiens]]
-[[Category: Fukami, T A]]
+[[Category: Large Structures]]
-[[Category: Ono, N]]
+[[Category: Fukami TA]]
-[[Category: Chaperone-chaperone inhibitor complex]]
+[[Category: Ono N]]