4awq: Difference between revisions

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 <StructureSection load='4awq' size='340' side='right'caption='[[4awq]], [[Resolution|resolution]] 1.60&Aring;' scene=''>
 == Structural highlights ==
-<table><tr><td colspan='2'>[[4awq]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4AWQ OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4AWQ FirstGlance]. <br>
+<table><tr><td colspan='2'>[[4awq]] is a 2 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=4AWQ OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4AWQ FirstGlance]. <br>
-</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=592:N-BENZYL-6-[(3-ENDO)-3-{[(3-METHOXY-2-METHYLPHENYL)CARBONYL]AMINO}-8-AZABICYCLO[3.2.1]OCT-8-YL]PYRIDINE-3-CARBOXAMIDE'>592</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]] 1.6&#8491;</td></tr>
-<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[1byq|1byq]], [[1osf|1osf]], [[1uy6|1uy6]], [[1uy7|1uy7]], [[1uy8|1uy8]], [[1uy9|1uy9]], [[1uyc|1uyc]], [[1uyd|1uyd]], [[1uye|1uye]], [[1uyf|1uyf]], [[1uyg|1uyg]], [[1uyh|1uyh]], [[1uyi|1uyi]], [[1uyk|1uyk]], [[1uyl|1uyl]], [[1yc1|1yc1]], [[1yc3|1yc3]], [[1yc4|1yc4]], [[1yer|1yer]], [[1yes|1yes]], [[1yet|1yet]], [[2bsm|2bsm]], [[2bt0|2bt0]], [[2bug|2bug]], [[2byh|2byh]], [[2byi|2byi]], [[2bz5|2bz5]], [[2c2l|2c2l]], [[2ccs|2ccs]], [[2cct|2cct]], [[2ccu|2ccu]], [[2fwy|2fwy]], [[2fwz|2fwz]], [[2jjc|2jjc]], [[2uwd|2uwd]], [[2vci|2vci]], [[2vcj|2vcj]], [[2wi1|2wi1]], [[2wi2|2wi2]], [[2wi3|2wi3]], [[2wi4|2wi4]], [[2wi5|2wi5]], [[2wi6|2wi6]], [[2wi7|2wi7]], [[2xab|2xab]], [[2xdk|2xdk]], [[2xdl|2xdl]], [[2xds|2xds]], [[2xdu|2xdu]], [[2xdx|2xdx]], [[2xhr|2xhr]], [[2xht|2xht]], [[2xhx|2xhx]], [[2xjg|2xjg]], [[2xjj|2xjj]], [[2xjx|2xjx]], [[2xk2|2xk2]], [[2ye2|2ye2]], [[2ye3|2ye3]], [[2ye4|2ye4]], [[2ye5|2ye5]], [[2ye6|2ye6]], [[2ye7|2ye7]], [[2ye8|2ye8]], [[2ye9|2ye9]], [[2yea|2yea]], [[2yeb|2yeb]], [[2yec|2yec]], [[2yed|2yed]], [[2yee|2yee]], [[2yef|2yef]], [[2yeg|2yeg]], [[2yeh|2yeh]], [[2yei|2yei]], [[2yej|2yej]], [[2yi0|2yi0]], [[2yi5|2yi5]], [[2yi6|2yi6]], [[2yi7|2yi7]], [[2yjw|2yjw]], [[2yjx|2yjx]], [[2yk2|2yk2]], [[2yk9|2yk9]], [[2ykb|2ykb]], [[2ykc|2ykc]], [[2yke|2yke]], [[2yki|2yki]], [[2ykj|2ykj]], [[4aif|4aif]], [[4awo|4awo]], [[4awp|4awp]]</td></tr>
+<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=592:N-BENZYL-6-[(3-ENDO)-3-{[(3-METHOXY-2-METHYLPHENYL)CARBONYL]AMINO}-8-AZABICYCLO[3.2.1]OCT-8-YL]PYRIDINE-3-CARBOXAMIDE'>592</scene></td></tr>
-<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Non-chaperonin_molecular_chaperone_ATPase Non-chaperonin molecular chaperone ATPase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.6.4.10 3.6.4.10] </span></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=4awq FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4awq OCA], [https://pdbe.org/4awq PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4awq RCSB], [https://www.ebi.ac.uk/pdbsum/4awq PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4awq 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=4awq FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4awq OCA], [http://pdbe.org/4awq PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4awq RCSB], [http://www.ebi.ac.uk/pdbsum/4awq PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4awq 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 ==
-With structural guidance, tropane-derived HTS hits were modified to optimize for HSP90 inhibition and a desirable in vivo profile. Through an iterative SAR development process 12i (XL888) was discovered and shown to reduce HSP90 client protein content in PD studies. Furthermore, efficacy experiments performed in a NCI-N87 mouse xenograft model demonstrated tumor regression in some dosing regimens.
-Discovery of XL888: A novel tropane-derived small molecule inhibitor of HSP90.,Bussenius J, Blazey CM, Aay N, Anand NK, Arcalas A, Baik T, Bowles OJ, Buhr CA, Costanzo S, Curtis JK, Defina SC, Dubenko L, Heuer TS, Huang P, Jaeger C, Joshi A, Kennedy AR, Kim AI, Lara K, Lee J, Li J, Lougheed JC, Ma S, Malek S, Manalo JC, Martini JF, McGrath G, Nicoll M, Nuss JM, Pack M, Peto CJ, Tsang TH, Wang L, Womble SW, Yakes M, Zhang W, Rice KD Bioorg Med Chem Lett. 2012 Sep 1;22(17):5396-404. Epub 2012 Jul 21. PMID:22877636<ref>PMID:22877636</ref>
-From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
-</div>
-<div class="pdbe-citations 4awq" style="background-color:#fffaf0;"></div>
 ==See Also==
@@ Line 27: / Line 17: @@
 __TOC__
 </StructureSection>
+[[Category: Homo sapiens]]
 [[Category: Large Structures]]
-[[Category: Non-chaperonin molecular chaperone ATPase]]
+[[Category: Lougheed JC]]
-[[Category: Lougheed, J C]]
+[[Category: Stout TJ]]
-[[Category: Stout, T J]]
-[[Category: Chaperone]]