2ci0: Difference between revisions

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[[Image:2ci0.jpg|left|200px]]<br /><applet load="2ci0" size="350" color="white" frame="true" align="right" spinBox="true"
[[Image:2ci0.jpg|left|200px]]
caption="2ci0, resolution 1.53&Aring;" />
 
'''HIGH THROUGHPUT SCREENING AND X-RAY CRYSTALLOGRAPHY ASSISTED EVALUATION OF SMALL MOLECULE SCAFFOLDS FOR CYP51 INHIBITORS'''<br />
{{Structure
|PDB= 2ci0 |SIZE=350|CAPTION= <scene name='initialview01'>2ci0</scene>, resolution 1.53&Aring;
|SITE= <scene name='pdbsite=AC1:Hem+Binding+Site+For+Chain+A'>AC1</scene> and <scene name='pdbsite=AC2:1cm+Binding+Site+For+Chain+A'>AC2</scene>
|LIGAND= <scene name='pdbligand=HEM:PROTOPORPHYRIN+IX+CONTAINING+FE'>HEM</scene> and <scene name='pdbligand=1CM:(2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDE'>1CM</scene>
|ACTIVITY= [http://en.wikipedia.org/wiki/Sterol_14-demethylase Sterol 14-demethylase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.14.13.70 1.14.13.70]
|GENE=
}}
 
'''HIGH THROUGHPUT SCREENING AND X-RAY CRYSTALLOGRAPHY ASSISTED EVALUATION OF SMALL MOLECULE SCAFFOLDS FOR CYP51 INHIBITORS'''
 


==Overview==
==Overview==
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==About this Structure==
==About this Structure==
2CI0 is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Mycobacterium_tuberculosis Mycobacterium tuberculosis] with <scene name='pdbligand=HEM:'>HEM</scene> and <scene name='pdbligand=1CM:'>1CM</scene> as [http://en.wikipedia.org/wiki/ligands ligands]. Active as [http://en.wikipedia.org/wiki/Sterol_14-demethylase Sterol 14-demethylase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.14.13.70 1.14.13.70] Known structural/functional Sites: <scene name='pdbsite=AC1:Hem+Binding+Site+For+Chain+A'>AC1</scene> and <scene name='pdbsite=AC2:1cm+Binding+Site+For+Chain+A'>AC2</scene>. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2CI0 OCA].  
2CI0 is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Mycobacterium_tuberculosis Mycobacterium tuberculosis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2CI0 OCA].  


==Reference==
==Reference==
Small-molecule scaffolds for CYP51 inhibitors identified by high-throughput screening and defined by X-ray crystallography., Podust LM, von Kries JP, Eddine AN, Kim Y, Yermalitskaya LV, Kuehne R, Ouellet H, Warrier T, Altekoster M, Lee JS, Rademann J, Oschkinat H, Kaufmann SH, Waterman MR, Antimicrob Agents Chemother. 2007 Nov;51(11):3915-23. Epub 2007 Sep 10. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=17846131 17846131]
Small-molecule scaffolds for CYP51 inhibitors identified by high-throughput screening and defined by X-ray crystallography., Podust LM, von Kries JP, Eddine AN, Kim Y, Yermalitskaya LV, Kuehne R, Ouellet H, Warrier T, Altekoster M, Lee JS, Rademann J, Oschkinat H, Kaufmann SH, Waterman MR, Antimicrob Agents Chemother. 2007 Nov;51(11):3915-23. Epub 2007 Sep 10. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/17846131 17846131]
[[Category: Mycobacterium tuberculosis]]
[[Category: Mycobacterium tuberculosis]]
[[Category: Single protein]]
[[Category: Single protein]]
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[[Category: sterol biosynthesis]]
[[Category: sterol biosynthesis]]


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