1s17
From Proteopedia
(New page: 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'' |
Revision as of 12:56, 21 February 2008
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Identification of Novel Potent Bicyclic Peptide Deformylase Inhibitors
Overview
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
1S17 is a Single protein structure of sequence from Pseudomonas aeruginosa with , and as ligands. Active as Peptide deformylase, with EC number 3.5.1.88 Full crystallographic information is available from OCA.
Reference
Identification of novel potent bicyclic peptide deformylase inhibitors., Molteni V, He X, Nabakka J, Yang K, Kreusch A, Gordon P, Bursulaya B, Warner I, Shin T, Biorac T, Ryder NS, Goldberg R, Doughty J, He Y, Bioorg Med Chem Lett. 2004 Mar 22;14(6):1477-81. PMID:15006385
Page seeded by OCA on Thu Feb 21 14:56:57 2008
Categories: Peptide deformylase | Pseudomonas aeruginosa | Single protein | Bursulaya, B. | Goldberg, R. | Gordon, P. | He, X. | He, Y. | Kreusch, A. | Molteni, V. | Nabakka, J. | Ryder, N S. | Yang, K. | GNR | GOL | NI | Antibiotic | Peptide deformylase inhibitor | Protein-ligand complex | Rational drug design
