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PDBsum entry 3mvl
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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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P38 alpha map kinase complexed with pyrrolotriazine inhibitor 7k
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Structure:
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Mitogen-activated protein kinase 14. Chain: a, b. Synonym: map kinase 14, mapk 14, mitogen-activated protein kinase p38 alpha, map kinase p38 alpha, cytokine suppressive anti-inflammatory drug-binding protein, csaid-binding protein, csbp, max-interacting protein 2, map kinase mxi2, sapk2a. Engineered: yes
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Source:
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Homo sapiens. Human. Organism_taxid: 9606. Gene: csbp, csbp1, csbp2, cspb1, mapk14, mxi2. Expressed in: escherichia coli. Expression_system_taxid: 469008. Expression_system_cell_line: bl21 de3.
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Resolution:
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2.80Å
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R-factor:
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0.233
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R-free:
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0.335
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Authors:
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J.S.Sack
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Key ref:
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C.Liu
et al.
(2010).
Discovery of 4-(5-(cyclopropylcarbamoyl)-2-methylphenylamino)-5-methyl-N-propylpyrrolo[1,2-f][1,2,4]triazine-6-carboxamide (BMS-582949), a clinical p38α MAP kinase inhibitor for the treatment of inflammatory diseases.
J Med Chem,
53,
6629-6639.
PubMed id:
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Date:
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04-May-10
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Release date:
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13-Oct-10
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PROCHECK
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Headers
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References
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Q16539
(MK14_HUMAN) -
Mitogen-activated protein kinase 14 from Homo sapiens
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Seq:
Struc:
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360 a.a.
339 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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J Med Chem
53:6629-6639
(2010)
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PubMed id:
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Discovery of 4-(5-(cyclopropylcarbamoyl)-2-methylphenylamino)-5-methyl-N-propylpyrrolo[1,2-f][1,2,4]triazine-6-carboxamide (BMS-582949), a clinical p38α MAP kinase inhibitor for the treatment of inflammatory diseases.
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C.Liu,
J.Lin,
S.T.Wrobleski,
S.Lin,
J.Hynes,
H.Wu,
A.J.Dyckman,
T.Li,
J.Wityak,
K.M.Gillooly,
S.Pitt,
D.R.Shen,
R.F.Zhang,
K.W.McIntyre,
L.Salter-Cid,
D.J.Shuster,
H.Zhang,
P.H.Marathe,
A.M.Doweyko,
J.S.Sack,
S.E.Kiefer,
K.F.Kish,
J.A.Newitt,
M.McKinnon,
J.H.Dodd,
J.C.Barrish,
G.L.Schieven,
K.Leftheris.
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ABSTRACT
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Links
