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1mfp

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[[Image:1mfp.gif|left|200px]]<br /><applet load="1mfp" size="350" color="white" frame="true" align="right" spinBox="true"
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[[Image:1mfp.gif|left|200px]]
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caption="1mfp, resolution 2.33&Aring;" />
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'''E. coli Enoyl Reductase in complex with NAD and SB611113'''<br />
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{{Structure
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|PDB= 1mfp |SIZE=350|CAPTION= <scene name='initialview01'>1mfp</scene>, resolution 2.33&Aring;
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|SITE=
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|LIGAND= <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=NAD:NICOTINAMIDE-ADENINE-DINUCLEOTIDE'>NAD</scene> and <scene name='pdbligand=IDN:(E)-N-METHYL-N-(1-METHYL-1H-INDOL-3-YLMETHYL)-3-(7-OXO-5,6,7,8-TETRAHYDRO-[1,8]NAPHTHYRIDIN-3-YL)-ACRYLAMIDE'>IDN</scene>
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|ACTIVITY= [http://en.wikipedia.org/wiki/Enoyl-[acyl-carrier-protein]_reductase_(NADH) Enoyl-[acyl-carrier-protein] reductase (NADH)], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.3.1.9 1.3.1.9]
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|GENE=
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}}
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'''E. coli Enoyl Reductase in complex with NAD and SB611113'''
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==Overview==
==Overview==
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==About this Structure==
==About this Structure==
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1MFP is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Escherichia_coli Escherichia coli] with <scene name='pdbligand=SO4:'>SO4</scene>, <scene name='pdbligand=NAD:'>NAD</scene> and <scene name='pdbligand=IDN:'>IDN</scene> as [http://en.wikipedia.org/wiki/ligands ligands]. Active as [http://en.wikipedia.org/wiki/Enoyl-[acyl-carrier-protein]_reductase_(NADH) Enoyl-[acyl-carrier-protein] reductase (NADH)], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.3.1.9 1.3.1.9] Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1MFP OCA].
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1MFP is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Escherichia_coli Escherichia coli]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1MFP OCA].
==Reference==
==Reference==
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Indole naphthyridinones as inhibitors of bacterial enoyl-ACP reductases FabI and FabK., Seefeld MA, Miller WH, Newlander KA, Burgess WJ, DeWolf WE Jr, Elkins PA, Head MS, Jakas DR, Janson CA, Keller PM, Manley PJ, Moore TD, Payne DJ, Pearson S, Polizzi BJ, Qiu X, Rittenhouse SF, Uzinskas IN, Wallis NG, Huffman WF, J Med Chem. 2003 Apr 24;46(9):1627-35. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=12699381 12699381]
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Indole naphthyridinones as inhibitors of bacterial enoyl-ACP reductases FabI and FabK., Seefeld MA, Miller WH, Newlander KA, Burgess WJ, DeWolf WE Jr, Elkins PA, Head MS, Jakas DR, Janson CA, Keller PM, Manley PJ, Moore TD, Payne DJ, Pearson S, Polizzi BJ, Qiu X, Rittenhouse SF, Uzinskas IN, Wallis NG, Huffman WF, J Med Chem. 2003 Apr 24;46(9):1627-35. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/12699381 12699381]
[[Category: Enoyl-[acyl-carrier-protein] reductase (NADH)]]
[[Category: Enoyl-[acyl-carrier-protein] reductase (NADH)]]
[[Category: Escherichia coli]]
[[Category: Escherichia coli]]
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[[Category: fabi]]
[[Category: fabi]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 13:54:47 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 12:42:55 2008''

Revision as of 10:42, 20 March 2008

Image:1mfp.gif


PDB ID 1mfp

Drag the structure with the mouse to rotate
, resolution 2.33Å
Ligands: , and
Activity: [acyl-carrier-protein_reductase_(NADH) Enoyl-[acyl-carrier-protein] reductase (NADH)], with EC number 1.3.1.9
Coordinates: save as pdb, mmCIF, xml



E. coli Enoyl Reductase in complex with NAD and SB611113


Overview

Bacterial enoyl-ACP reductase (FabI) is responsible for catalyzing the final step of bacterial fatty acid biosynthesis and is an attractive target for the development of novel antibacterial agents. Previously we reported the development of FabI inhibitor 4 with narrow spectrum antimicrobial activity and in vivo efficacy against Staphylococcus aureus via intraperitoneal (ip) administration. Through iterative medicinal chemistry aided by X-ray crystal structure analysis, a new series of inhibitors has been developed with greatly increased potency against FabI-containing organisms. Several of these new inhibitors have potent antibacterial activity against multidrug resistant strains of S. aureus, and compound 30 demonstrates exceptional oral (po) in vivo efficacy in a S. aureus infection model in rats. While optimizing FabI inhibitory activity, compounds 29 and 30 were identified as having low micromolar FabK inhibitory activity, thereby increasing the antimicrobial spectrum of these compounds to include the FabK-containing pathogens Streptococcus pneumoniae and Enterococcus faecalis. The results described herein support the hypothesis that bacterial enoyl-ACP reductases are valid targets for antibacterial agents.

About this Structure

1MFP is a Single protein structure of sequence from Escherichia coli. Full crystallographic information is available from OCA.

Reference

Indole naphthyridinones as inhibitors of bacterial enoyl-ACP reductases FabI and FabK., Seefeld MA, Miller WH, Newlander KA, Burgess WJ, DeWolf WE Jr, Elkins PA, Head MS, Jakas DR, Janson CA, Keller PM, Manley PJ, Moore TD, Payne DJ, Pearson S, Polizzi BJ, Qiu X, Rittenhouse SF, Uzinskas IN, Wallis NG, Huffman WF, J Med Chem. 2003 Apr 24;46(9):1627-35. PMID:12699381 [[Category: Enoyl-[acyl-carrier-protein] reductase (NADH)]]

Page seeded by OCA on Thu Mar 20 12:42:55 2008

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