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PDBsum entry 2of4
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Contents |
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* Residue conservation analysis
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PDB id:
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Transferase
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Title:
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Crystal structure of furanopyrimidine 1 bound to lck
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Structure:
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Proto-oncogene tyrosine-protein kinase lck. Chain: a. Fragment: lck kinase domain, residues 230-500. Synonym: p56-lck, lymphocyte cell-specific protein-tyrosine kinase, lsk, t cell- specific protein-tyrosine kinase. Engineered: yes
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Source:
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Homo sapiens. Human. Organism_taxid: 9606. Gene: lck. Expressed in: insect cell.
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Resolution:
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2.70Å
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R-factor:
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0.264
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R-free:
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0.296
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Authors:
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M.W.Martin
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Key ref:
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M.W.Martin
et al.
(2007).
Discovery of novel 2,3-diarylfuro[2,3-b]pyridin-4-amines as potent and selective inhibitors of Lck: synthesis, SAR, and pharmacokinetic properties.
Bioorg Med Chem Lett,
17,
2299-2304.
PubMed id:
DOI:
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Date:
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02-Jan-07
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Release date:
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27-Feb-07
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PROCHECK
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Headers
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References
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P06239
(LCK_HUMAN) -
Tyrosine-protein kinase Lck from Homo sapiens
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Seq:
Struc:
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509 a.a.
271 a.a.
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Key: |
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PfamA domain |
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Secondary structure |
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CATH domain |
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Enzyme class:
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E.C.2.7.10.2
- non-specific protein-tyrosine kinase.
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Reaction:
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L-tyrosyl-[protein] + ATP = O-phospho-L-tyrosyl-[protein] + ADP + H+
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L-tyrosyl-[protein]
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+
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ATP
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=
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O-phospho-L-tyrosyl-[protein]
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+
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ADP
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+
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H(+)
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Molecule diagrams generated from .mol files obtained from the
KEGG ftp site
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DOI no:
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Bioorg Med Chem Lett
17:2299-2304
(2007)
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PubMed id:
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Discovery of novel 2,3-diarylfuro[2,3-b]pyridin-4-amines as potent and selective inhibitors of Lck: synthesis, SAR, and pharmacokinetic properties.
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M.W.Martin,
J.Newcomb,
J.J.Nunes,
J.E.Bemis,
D.C.McGowan,
R.D.White,
J.L.Buchanan,
E.F.DiMauro,
C.Boucher,
T.Faust,
F.Hsieh,
X.Huang,
J.H.Lee,
S.Schneider,
S.M.Turci,
X.Zhu.
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ABSTRACT
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2,3-Diarylfuro[2,3-b]pyridine-4-amines are a novel class of potent and selective
inhibitors of Lck. The discovery, synthesis, and structure activity
relationships of this series of inhibitors are reported. The most promising
compounds were also profiled to deduce their pharmacokinetic properties.
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Literature references that cite this PDB file's key reference
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PubMed id
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Reference
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S.S.Bhagwat
(2009).
Kinase inhibitors for the treatment of inflammatory and autoimmune disorders.
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Purinergic Signal,
5,
107-115.
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V.M.Anisimov,
and
V.L.Bugaenko
(2009).
QM/QM docking method based on the variational finite localized molecular orbital approximation.
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J Comput Chem,
30,
784-798.
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The most recent references are shown first.
Citation data come partly from CiteXplore and partly
from an automated harvesting procedure. Note that this is likely to be
only a partial list as not all journals are covered by
either method. However, we are continually building up the citation data
so more and more references will be included with time.
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Links
