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PDBsum entry 2waj
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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 human jnk3 complexed with a 1-aryl-3,4- dihydroisoquinoline inhibitor
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Structure:
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Mitogen-activated protein kinase 10. Chain: a. Fragment: residues, 39-402. Synonym: stress-activated protein kinase jnk3, c-jun n-terminal kinase 3, map kinase p49 3f12. Engineered: yes
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Source:
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Homo sapiens. Human. Organism_taxid: 9606. Expressed in: escherichia coli. Expression_system_taxid: 562
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Resolution:
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2.40Å
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R-factor:
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0.187
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R-free:
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0.264
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Authors:
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B.D.Bax,J.A.Christopher,E.J.Jones,J.E.Mosley
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Key ref:
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J.A.Christopher
et al.
(2009).
1-Aryl-3,4-dihydroisoquinoline inhibitors of JNK3.
Bioorg Med Chem Lett,
19,
2230-2234.
PubMed id:
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Date:
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08-Feb-09
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Release date:
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31-Mar-09
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PROCHECK
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Headers
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References
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P53779
(MK10_HUMAN) -
Mitogen-activated protein kinase 10 from Homo sapiens
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Seq:
Struc:
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464 a.a.
348 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.2.7.11.24
- mitogen-activated protein kinase.
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Reaction:
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1.
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L-seryl-[protein] + ATP = O-phospho-L-seryl-[protein] + ADP + H+
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2.
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L-threonyl-[protein] + ATP = O-phospho-L-threonyl-[protein] + ADP + H+
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L-seryl-[protein]
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+
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ATP
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=
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O-phospho-L-seryl-[protein]
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+
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ADP
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+
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H(+)
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L-threonyl-[protein]
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+
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ATP
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=
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O-phospho-L-threonyl-[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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Bioorg Med Chem Lett
19:2230-2234
(2009)
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PubMed id:
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1-Aryl-3,4-dihydroisoquinoline inhibitors of JNK3.
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J.A.Christopher,
F.L.Atkinson,
B.D.Bax,
M.J.Brown,
A.C.Champigny,
T.T.Chuang,
E.J.Jones,
J.E.Mosley,
J.R.Musgrave.
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ABSTRACT
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A series of 1-aryl-3,4-dihydroisoquinoline inhibitors of JNK3 are described.
Compounds 20 and 24 are the most potent inhibitors (pIC50 7.3 and 6.9,
respectively in a radiometric filter binding assay), with 10- and 1000-fold
selectivity over JNK2 and JNK1, respectively, and selectivity within the wider
mitogen-activated protein kinase (MAPK) family against p38alpha and ERK2. X-ray
crystallography of 16 reveals a highly unusual binding mode where an H-bond
acceptor interaction with the hinge region is made by a chloro substituent.
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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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R.Noël,
Y.Shin,
X.Song,
Y.He,
M.Koenig,
W.Chen,
Y.Y.Ling,
L.Lin,
C.H.Ruiz,
P.LoGrasso,
M.D.Cameron,
D.R.Duckett,
and
T.M.Kamenecka
(2011).
Synthesis and SAR of 4-(pyrazol-3-yl)-pyridines as novel c-jun N-terminal kinase inhibitors.
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Bioorg Med Chem Lett,
21,
2732-2735.
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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
