1s17

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[[Image:1s17.gif|left|200px]]<br /><applet load="1s17" size="350" color="white" frame="true" align="right" spinBox="true"
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[[Image:1s17.gif|left|200px]]
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caption="1s17, resolution 1.95&Aring;" />
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'''Identification of Novel Potent Bicyclic Peptide Deformylase Inhibitors'''<br />
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{{Structure
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|PDB= 1s17 |SIZE=350|CAPTION= <scene name='initialview01'>1s17</scene>, resolution 1.95&Aring;
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|SITE=
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|LIGAND= <scene name='pdbligand=NI:NICKEL+(II)+ION'>NI</scene>, <scene name='pdbligand=GNR:2-(3,4-DIHYDRO-3-OXO-2H-BENZO[B][1,4]THIAZIN-2-YL)-N-HYDROXYACETAMIDE'>GNR</scene> and <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>
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|ACTIVITY= [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]
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|GENE= DEF, PA0019 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=287 Pseudomonas aeruginosa])
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}}
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'''Identification of Novel Potent Bicyclic Peptide Deformylase Inhibitors'''
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==Overview==
==Overview==
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==About this Structure==
==About this Structure==
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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].
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1S17 is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Pseudomonas_aeruginosa Pseudomonas aeruginosa]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1S17 OCA].
==Reference==
==Reference==
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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:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=15006385 15006385]
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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:[http://www.ncbi.nlm.nih.gov/pubmed/15006385 15006385]
[[Category: Peptide deformylase]]
[[Category: Peptide deformylase]]
[[Category: Pseudomonas aeruginosa]]
[[Category: Pseudomonas aeruginosa]]
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[[Category: rational drug design]]
[[Category: rational drug design]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 14:56:57 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 13:59:04 2008''

Revision as of 11:59, 20 March 2008

Image:1s17.gif


PDB ID 1s17

Drag the structure with the mouse to rotate
, resolution 1.95Å
Ligands: , and
Gene: DEF, PA0019 (Pseudomonas aeruginosa)
Activity: Peptide deformylase, with EC number 3.5.1.88
Coordinates: save as pdb, mmCIF, xml



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. 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 Mar 20 13:59:04 2008

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