1s17

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[[Image:1s17.gif|left|200px]]
[[Image:1s17.gif|left|200px]]
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{{Structure
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<!--
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|PDB= 1s17 |SIZE=350|CAPTION= <scene name='initialview01'>1s17</scene>, resolution 1.95&Aring;
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The line below this paragraph, containing "STRUCTURE_1s17", creates the "Structure Box" on the page.
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|SITE=
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You may change the PDB parameter (which sets the PDB file loaded into the applet)
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|LIGAND= <scene name='pdbligand=GNR:2-(3,4-DIHYDRO-3-OXO-2H-BENZO[B][1,4]THIAZIN-2-YL)-N-HYDROXYACETAMIDE'>GNR</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=NI:NICKEL+(II)+ION'>NI</scene>
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or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
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|ACTIVITY= <span class='plainlinks'>[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] </span>
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or leave the SCENE parameter empty for the default display.
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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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|DOMAIN=
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{{STRUCTURE_1s17| PDB=1s17 | SCENE= }}
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|RELATEDENTRY=[[1n5n|1N5N]], [[1ix1|1IX1]]
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|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1s17 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1s17 OCA], [http://www.ebi.ac.uk/pdbsum/1s17 PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=1s17 RCSB]</span>
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}}
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'''Identification of Novel Potent Bicyclic Peptide Deformylase Inhibitors'''
'''Identification of Novel Potent Bicyclic Peptide Deformylase Inhibitors'''
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[[Category: Ryder, N S.]]
[[Category: Ryder, N S.]]
[[Category: Yang, K.]]
[[Category: Yang, K.]]
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[[Category: antibiotic]]
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[[Category: Antibiotic]]
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[[Category: peptide deformylase inhibitor]]
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[[Category: Peptide deformylase inhibitor]]
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[[Category: protein-ligand complex]]
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[[Category: Protein-ligand complex]]
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[[Category: rational drug design]]
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[[Category: Rational drug design]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sat May 3 08:09:59 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun Mar 30 23:35:54 2008''
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Revision as of 05:10, 3 May 2008

Image:1s17.gif

Template:STRUCTURE 1s17

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 Sat May 3 08:09:59 2008

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OCA

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