4w7t
From Proteopedia
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| - | ''' | + | ==Crystal Structure of Hsp90-alpha N-domain Bound to the Inhibitor NVP-HSP990== |
| + | <StructureSection load='4w7t' size='340' side='right' caption='[[4w7t]], [[Resolution|resolution]] 1.80Å' scene=''> | ||
| + | == Structural highlights == | ||
| + | <table><tr><td colspan='2'>[[4w7t]] 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=4W7T OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4W7T FirstGlance]. <br> | ||
| + | </td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=3JC:(7S)-2-AMINO-4-METHYL-7-PHENYL-7,8-DIHYDROQUINAZOLIN-5(6H)-ONE'>3JC</scene></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=4w7t FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4w7t OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4w7t RCSB], [http://www.ebi.ac.uk/pdbsum/4w7t PDBsum]</span></td></tr> | ||
| + | </table> | ||
| + | <div style="background-color:#fffaf0;"> | ||
| + | == Publication Abstract from PubMed == | ||
| + | Utilizing structure-based drug design, a novel dihydropyridopyrimidinone series which exhibited potent Hsp90 inhibition, good pharmacokinetics upon oral administration, and an excellent pharmacokinetic/pharmacodynamic relationship in vivo was developed from a commercial hit. The exploration of this series led to the selection of NVP-HSP990 as a development candidate. | ||
| - | + | Design, Structure-Activity Relationship, and in Vivo Characterization of the Development Candidate NVP-HSP990.,McBride CM, Levine B, Xia Y, Bellamacina C, Machajewski T, Gao Z, Renhowe P, Antonios-McCrea W, Barsanti P, Brinner K, Costales A, Doughan B, Lin X, Louie A, McKenna M, Mendenhall K, Poon D, Rico A, Wang M, Williams TE, Abrams T, Fong S, Hendrickson T, Lei D, Lin J, Menezes D, Pryer N, Taverna P, Xu Y, Zhou Y, Shafer CM J Med Chem. 2014 Nov 13;57(21):9124-9. doi: 10.1021/jm501107q. Epub 2014 Nov 4. PMID:25368984<ref>PMID:25368984</ref> | |
| - | + | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |
| - | + | </div> | |
| - | + | == References == | |
| + | <references/> | ||
| + | __TOC__ | ||
| + | </StructureSection> | ||
| + | [[Category: Homo sapiens]] | ||
| + | [[Category: Bellamacina, C R]] | ||
| + | [[Category: Bussiere, D]] | ||
| + | [[Category: Shafer, C M]] | ||
| + | [[Category: Atp-binding domain]] | ||
| + | [[Category: Chaperone-inhibitor complex]] | ||
Revision as of 07:56, 26 November 2014
Crystal Structure of Hsp90-alpha N-domain Bound to the Inhibitor NVP-HSP990
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