4ny4
From Proteopedia
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| - | ''' | + | ==Crystal structure of CYP3A4 in complex with an inhibitor== |
| + | <StructureSection load='4ny4' size='340' side='right' caption='[[4ny4]], [[Resolution|resolution]] 2.95Å' scene=''> | ||
| + | == Structural highlights == | ||
| + | <table><tr><td colspan='2'>[[4ny4]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4NY4 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4NY4 FirstGlance]. <br> | ||
| + | </td></tr><tr><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=2QH:(8R)-3,3-DIFLUORO-8-[4-FLUORO-3-(PYRIDIN-3-YL)PHENYL]-8-(4-METHOXY-3-METHYLPHENYL)-2,3,4,8-TETRAHYDROIMIDAZO[1,5-A]PYRIMIDIN-6-AMINE'>2QH</scene>, <scene name='pdbligand=HEM:PROTOPORPHYRIN+IX+CONTAINING+FE'>HEM</scene><br> | ||
| + | <tr><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[4nz2|4nz2]]</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=4ny4 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4ny4 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4ny4 RCSB], [http://www.ebi.ac.uk/pdbsum/4ny4 PDBsum]</span></td></tr> | ||
| + | <table> | ||
| + | <div style="background-color:#fffaf0;"> | ||
| + | == Publication Abstract from PubMed == | ||
| + | Cytochrome P450 (CYP) enzymes are key players in xenobiotic metabolism, and inhibition of CYPs can therefore result in unwanted drug-drug interactions. Within drug discovery, CYP inhibition can cause delays in the progression of candidate drugs, or even premature closure of projects. During the past decade, a massive effort in the pharmaceutical industry and academic research has produced a wealth of structural information in the CYP field. In this short review, we will describe how structure-based approaches can be used in the pharmaceutical industry to work away from CYP inhibition, with a focus on the opportunities and challenges. We will show two examples from our own work where structural information on CYP2C9 and CYP3A4 inhibitor complexes have been successfully exploited in ongoing drug discovery projects. | ||
| - | + | Structure-based ligand design to overcome CYP inhibition in drug discovery projects.,Branden G, Sjogren T, Schnecke V, Xue Y Drug Discov Today. 2014 Jul;19(7):905-911. doi: 10.1016/j.drudis.2014.03.012., Epub 2014 Mar 16. PMID:24642031<ref>PMID:24642031</ref> | |
| - | + | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |
| - | + | </div> | |
| - | + | == References == | |
| + | <references/> | ||
| + | __TOC__ | ||
| + | </StructureSection> | ||
| + | [[Category: Branden, G.]] | ||
| + | [[Category: Sjogren, T.]] | ||
| + | [[Category: Xue, Y.]] | ||
| + | [[Category: Cyp3a4]] | ||
| + | [[Category: Cytochrome p-450]] | ||
| + | [[Category: Drug metabolism]] | ||
| + | [[Category: Inhibitor]] | ||
| + | [[Category: Monooxygenase]] | ||
| + | [[Category: Oxidoreductase-oxidoreductase inhibitor complex]] | ||
| + | [[Category: Structure-based drug design]] | ||
Revision as of 08:58, 13 August 2014
Crystal structure of CYP3A4 in complex with an inhibitor
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