3b2w

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[[Image:3b2w.jpg|left|200px]]
[[Image:3b2w.jpg|left|200px]]
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{{Structure
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<!--
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|PDB= 3b2w |SIZE=350|CAPTION= <scene name='initialview01'>3b2w</scene>, resolution 2.30&Aring;
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The line below this paragraph, containing "STRUCTURE_3b2w", creates the "Structure Box" on the page.
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|SITE= <scene name='pdbsite=AC1:9nh+Binding+Site+For+Residue+A+601'>AC1</scene>
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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=9NH:N-[5-({[2-FLUORO-3-(TRIFLUOROMETHYL)PHENYL]AMINO}CARBONYL)-2-METHYLPHENYL]-4-METHOXY-2-[(4-PIPERAZIN-1-YLPHENYL)AMINO]PYRIMIDINE-5-CARBOXAMIDE'>9NH</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/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] </span>
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or leave the SCENE parameter empty for the default display.
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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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|DOMAIN=
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{{STRUCTURE_3b2w| PDB=3b2w | SCENE= }}
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|RELATEDENTRY=[[2ofv|2OFV]]
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|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3b2w FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3b2w OCA], [http://www.ebi.ac.uk/pdbsum/3b2w PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=3b2w RCSB]</span>
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}}
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'''Crystal structure of pyrimidine amide 11 bound to Lck'''
'''Crystal structure of pyrimidine amide 11 bound to Lck'''
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[[Category: Single protein]]
[[Category: Single protein]]
[[Category: Huang, X.]]
[[Category: Huang, X.]]
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[[Category: alternative splicing]]
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[[Category: Alternative splicing]]
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[[Category: atp-binding]]
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[[Category: Atp-binding]]
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[[Category: chromosomal rearrangement]]
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[[Category: Chromosomal rearrangement]]
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[[Category: cytoplasm]]
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[[Category: Cytoplasm]]
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[[Category: disease mutation]]
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[[Category: Disease mutation]]
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[[Category: host-virus interaction]]
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[[Category: Host-virus interaction]]
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[[Category: kinase domain]]
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[[Category: Kinase domain]]
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[[Category: lck]]
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[[Category: Lck]]
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[[Category: lipoprotein]]
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[[Category: Lipoprotein]]
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[[Category: membrane]]
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[[Category: Membrane]]
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[[Category: myristate]]
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[[Category: Myristate]]
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[[Category: nucleotide-binding]]
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[[Category: Nucleotide-binding]]
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[[Category: palmitate]]
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[[Category: Palmitate]]
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[[Category: phosphorylation]]
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[[Category: Phosphorylation]]
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[[Category: proto-oncogene]]
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[[Category: Proto-oncogene]]
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[[Category: sh2 domain]]
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[[Category: Sh2 domain]]
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[[Category: sh3 domain]]
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[[Category: Sh3 domain]]
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[[Category: transferase]]
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[[Category: Transferase]]
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[[Category: tyrosine-protein kinase]]
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[[Category: Tyrosine-protein kinase]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun May 4 20:20:25 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 05:22:33 2008''
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Revision as of 17:20, 4 May 2008

Image:3b2w.jpg

Template:STRUCTURE 3b2w

Crystal structure of pyrimidine amide 11 bound to Lck


Contents

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.

Disease

Known disease associated with this structure: SCID due to LCK deficiency OMIM:[153390]

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 Sun May 4 20:20:25 2008

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OCA

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