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PDBsum entry 3tti
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Transferase/transferase inhibitor
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PDB id
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3tti
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PDB id:
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| Name: |
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Transferase/transferase inhibitor
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Title:
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Crystal structure of jnk3 complexed with cc-930, an orally active anti-fibrotic jnk inhibitor
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Structure:
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Mitogen-activated protein kinase 10. Chain: a. Synonym: map kinase 10, mapk 10, map kinase p49 3f12, stress- activated protein kinase jnk3, c-jun n-terminal kinase 3. Engineered: yes
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Source:
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Homo sapiens. Human. Organism_taxid: 9606. Gene: jnk3, jnk3a, mapk10, prkm10. Expressed in: escherichia coli. Expression_system_taxid: 562.
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Resolution:
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2.20Å
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R-factor:
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0.246
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R-free:
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0.335
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Authors:
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V.Plantevin-Krenitsky,L.Nadolny,M.Delgado,L.Ayala,S.Clareen, R.Hilgraf,R.Albers,S.Hegde,N.D'Sidocky,J.Sapienza,J.Wright, M.Mccarrick,S.Bahmanyar,P.Chamberlain,S.L.Delker,J.Muir,D.Giegel, L.Xu,M.Celeridad,J.Lachowitzer,B.Bennett,M.Moghaddam,O.Khatsenko, J.Katz,R.Fan,A.Bai,Y.Tang,M.A.Shirley,B.Benish,T.Bodine,K.Blease, H.Raymon,B.E.Cathers,Y.Satoh
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Key ref:
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V.Plantevin Krenitsky
et al.
(2012).
Discovery of CC-930, an orally active anti-fibrotic JNK inhibitor.
Bioorg Med Chem Lett,
22,
1433-1438.
PubMed id:
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Date:
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14-Sep-11
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Release date:
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01-Feb-12
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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.
341 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
22:1433-1438
(2012)
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PubMed id:
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Discovery of CC-930, an orally active anti-fibrotic JNK inhibitor.
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V.Plantevin Krenitsky,
L.Nadolny,
M.Delgado,
L.Ayala,
S.S.Clareen,
R.Hilgraf,
R.Albers,
S.Hegde,
N.D'Sidocky,
J.Sapienza,
J.Wright,
M.McCarrick,
S.Bahmanyar,
P.Chamberlain,
S.L.Delker,
J.Muir,
D.Giegel,
L.Xu,
M.Celeridad,
J.Lachowitzer,
B.Bennett,
M.Moghaddam,
O.Khatsenko,
J.Katz,
R.Fan,
A.Bai,
Y.Tang,
M.A.Shirley,
B.Benish,
T.Bodine,
K.Blease,
H.Raymon,
B.E.Cathers,
Y.Satoh.
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ABSTRACT
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