4u93
From Proteopedia
(Difference between revisions)
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| - | ''' | + | ==Crystal Structure of Hsp90-alpha N-domain Bound to the Inhibitor NVP-HSP990== |
| + | <StructureSection load='4u93' size='340' side='right' caption='[[4u93]], [[Resolution|resolution]] 1.55Å' scene=''> | ||
| + | == Structural highlights == | ||
| + | <table><tr><td colspan='2'>[[4u93]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4U93 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4U93 FirstGlance]. <br> | ||
| + | </td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=990:(7R)-2-AMINO-7-[4-FLUORO-2-(6-METHOXYPYRIDIN-2-YL)PHENYL]-4-METHYL-7,8-DIHYDROPYRIDO[4,3-D]PYRIMIDIN-5(6H)-ONE'>990</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=4u93 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4u93 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4u93 RCSB], [http://www.ebi.ac.uk/pdbsum/4u93 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: Bellamacina, C R]] | ||
| + | [[Category: Bussiere, D]] | ||
| + | [[Category: Shafer, C M]] | ||
| + | [[Category: Atp-binding domain]] | ||
| + | [[Category: Chaperone]] | ||
Revision as of 12:43, 19 November 2014
Crystal Structure of Hsp90-alpha N-domain Bound to the Inhibitor NVP-HSP990
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