1s17: Difference between revisions
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New page: left|200px<br /><applet load="1s17" size="450" color="white" frame="true" align="right" spinBox="true" caption="1s17, resolution 1.95Å" /> '''Identification of No... |
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[[Image:1s17.gif|left|200px]]<br /><applet load="1s17" size=" | [[Image:1s17.gif|left|200px]]<br /><applet load="1s17" size="350" color="white" frame="true" align="right" spinBox="true" | ||
caption="1s17, resolution 1.95Å" /> | caption="1s17, resolution 1.95Å" /> | ||
'''Identification of Novel Potent Bicyclic Peptide Deformylase Inhibitors'''<br /> | '''Identification of Novel Potent Bicyclic Peptide Deformylase Inhibitors'''<br /> | ||
==Overview== | ==Overview== | ||
Screening of our compound collection using Staphylococcus aureus | Screening of our compound collection using Staphylococcus aureus Ni-Peptide deformylase (PDF) afforded a very potent PDF inhibitor with an IC(50) in the low nanomolar range but with poor antibacterial activity (MIC). Three-dimensional structural information obtained from Pseudomonas aeruginosa Ni-PDF complexed with the inhibitor suggested the synthesis of a variety of analogues that would maintain high binding affinity while attempting to improve antibacterial activity. Many of the compounds synthesized proved to be excellent PDF-Ni inhibitors and some showed increased antibacterial activity in selected strains. | ||
==About this Structure== | ==About this Structure== | ||
1S17 is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Pseudomonas_aeruginosa Pseudomonas aeruginosa] with NI, GNR and GOL as [http://en.wikipedia.org/wiki/ligands ligands]. Active as [http://en.wikipedia.org/wiki/Peptide_deformylase Peptide deformylase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.5.1.88 3.5.1.88] Full crystallographic information is available from [http:// | 1S17 is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Pseudomonas_aeruginosa Pseudomonas aeruginosa] with <scene name='pdbligand=NI:'>NI</scene>, <scene name='pdbligand=GNR:'>GNR</scene> and <scene name='pdbligand=GOL:'>GOL</scene> as [http://en.wikipedia.org/wiki/ligands ligands]. Active as [http://en.wikipedia.org/wiki/Peptide_deformylase Peptide deformylase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.5.1.88 3.5.1.88] Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1S17 OCA]. | ||
==Reference== | ==Reference== | ||
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[[Category: Molteni, V.]] | [[Category: Molteni, V.]] | ||
[[Category: Nabakka, J.]] | [[Category: Nabakka, J.]] | ||
[[Category: Ryder, N | [[Category: Ryder, N S.]] | ||
[[Category: Yang, K.]] | [[Category: Yang, K.]] | ||
[[Category: GNR]] | [[Category: GNR]] | ||
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[[Category: rational drug design]] | [[Category: rational drug design]] | ||
''Page seeded by [http:// | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 14:56:57 2008'' | ||
