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3b2w

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[[Image:3b2w.jpg|left|200px]]<br /><applet load="3b2w" size="350" color="white" frame="true" align="right" spinBox="true"
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[[Image:3b2w.jpg|left|200px]]
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caption="3b2w, resolution 2.30&Aring;" />
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'''Crystal structure of pyrimidine amide 11 bound to Lck'''<br />
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{{Structure
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|PDB= 3b2w |SIZE=350|CAPTION= <scene name='initialview01'>3b2w</scene>, resolution 2.30&Aring;
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|SITE= <scene name='pdbsite=AC1:9nh+Binding+Site+For+Residue+A+601'>AC1</scene>
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|LIGAND= <scene name='pdbligand=9NH:'>9NH</scene>
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|ACTIVITY= [http://en.wikipedia.org/wiki/Non-specific_protein-tyrosine_kinase Non-specific protein-tyrosine kinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.10.2 2.7.10.2]
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|GENE= LCK ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens])
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}}
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'''Crystal structure of pyrimidine amide 11 bound to Lck'''
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==Overview==
==Overview==
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==About this Structure==
==About this Structure==
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3B2W is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens] with <scene name='pdbligand=9NH:'>9NH</scene> as [http://en.wikipedia.org/wiki/ligand ligand]. Active as [http://en.wikipedia.org/wiki/Non-specific_protein-tyrosine_kinase Non-specific protein-tyrosine kinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.10.2 2.7.10.2] Known structural/functional Site: <scene name='pdbsite=AC1:9nh+Binding+Site+For+Residue+A+601'>AC1</scene>. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3B2W OCA].
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3B2W is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3B2W OCA].
==Reference==
==Reference==
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N-(3-(phenylcarbamoyl)arylpyrimidine)-5-carboxamides as potent and selective inhibitors of Lck: structure, synthesis and SAR., Deak HL, Newcomb JR, Nunes JJ, Boucher C, Cheng AC, DiMauro EF, Epstein LF, Gallant P, Hodous BL, Huang X, Lee JH, Patel VF, Schneider S, Turci SM, Zhu X, Bioorg Med Chem Lett. 2008 Feb 1;18(3):1172-6. Epub 2007 Dec 5. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=18083554 18083554]
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N-(3-(phenylcarbamoyl)arylpyrimidine)-5-carboxamides as potent and selective inhibitors of Lck: structure, synthesis and SAR., Deak HL, Newcomb JR, Nunes JJ, Boucher C, Cheng AC, DiMauro EF, Epstein LF, Gallant P, Hodous BL, Huang X, Lee JH, Patel VF, Schneider S, Turci SM, Zhu X, Bioorg Med Chem Lett. 2008 Feb 1;18(3):1172-6. Epub 2007 Dec 5. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/18083554 18083554]
[[Category: Homo sapiens]]
[[Category: Homo sapiens]]
[[Category: Non-specific protein-tyrosine kinase]]
[[Category: Non-specific protein-tyrosine kinase]]
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[[Category: tyrosine-protein kinase]]
[[Category: tyrosine-protein kinase]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 19:02:58 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 18:55:38 2008''

Revision as of 16:55, 20 March 2008

Image:3b2w.jpg


PDB ID 3b2w

Drag the structure with the mouse to rotate
, resolution 2.30Å
Sites:
Ligands:
Gene: LCK (Homo sapiens)
Activity: Non-specific protein-tyrosine kinase, with EC number 2.7.10.2
Coordinates: save as pdb, mmCIF, xml



Crystal structure of pyrimidine amide 11 bound to Lck


Overview

N-3-(Phenylcarbamoyl)arylpyrimidine-5-carboxamides are a novel class of selective Lck inhibitors. This series of compounds derives its selectivity from a hydrogen bond with the gatekeeper Thr316 of the enzyme. X-ray co-crystal structural data, structure-activity relationships, and the synthesis of these inhibitors are reported herein.

About this Structure

3B2W is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.

Reference

N-(3-(phenylcarbamoyl)arylpyrimidine)-5-carboxamides as potent and selective inhibitors of Lck: structure, synthesis and SAR., Deak HL, Newcomb JR, Nunes JJ, Boucher C, Cheng AC, DiMauro EF, Epstein LF, Gallant P, Hodous BL, Huang X, Lee JH, Patel VF, Schneider S, Turci SM, Zhu X, Bioorg Med Chem Lett. 2008 Feb 1;18(3):1172-6. Epub 2007 Dec 5. PMID:18083554

Page seeded by OCA on Thu Mar 20 18:55:38 2008

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