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PDBsum entry 3r21
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Transferase/transferase inhibitor
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PDB id
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3r21
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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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Design, synthesis, and biological evaluation of pyrazolopyridine- sulfonamides as potent multiple-mitotic kinase (mmk) inhibitors (part i)
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Structure:
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Serine/threonine-protein kinase 6. Chain: a. Fragment: unp residues 126-391. Synonym: aurora kinase a, aurora/ipl1-related kinase 1, ark-1, aurora-related kinase 1, hark1, breast tumor-amplified kinase, serine/threonine-protein kinase 15, serine/threonine-protein kinase aurora-a. Engineered: yes. Mutation: yes
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Source:
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Homo sapiens. Human. Organism_taxid: 9606. Gene: aik, ark1, aura, aurka, btak, stk15, stk6. Expressed in: spodoptera frugiperda. Expression_system_taxid: 7108. Expression_system_cell_line: sf9.
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Resolution:
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2.90Å
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R-factor:
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0.260
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R-free:
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0.305
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Authors:
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L.Zhang,J.Fan,J.-H.Chong,A.Cesena,B.Tam,C.Gilson,C.Boykin,D.Wang, D.Marcotte,J.-Y.Le Brazidec,D.Aivazian,J.Piao,K.Lundgren,K.Hong, K.Vu,K.Nguyen
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Key ref:
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L.Zhang
et al.
(2011).
Design, synthesis, and biological evaluation of pyrazolopyrimidine-sulfonamides as potent multiple-mitotic kinase (MMK) inhibitors (part I).
Bioorg Med Chem Lett,
21,
5633-5637.
PubMed id:
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Date:
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11-Mar-11
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Release date:
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10-Aug-11
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PROCHECK
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Headers
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References
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O14965
(AURKA_HUMAN) -
Aurora kinase A from Homo sapiens
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Seq:
Struc:
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403 a.a.
254 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.2.7.11.1
- non-specific serine/threonine 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
21:5633-5637
(2011)
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PubMed id:
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Design, synthesis, and biological evaluation of pyrazolopyrimidine-sulfonamides as potent multiple-mitotic kinase (MMK) inhibitors (part I).
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L.Zhang,
J.Fan,
J.H.Chong,
A.Cesena,
B.Y.Tam,
C.Gilson,
C.Boykin,
D.Wang,
D.Aivazian,
D.Marcotte,
G.Xiao,
J.Y.Le Brazidec,
J.Piao,
K.Lundgren,
K.Hong,
K.Vu,
K.Nguyen,
L.S.Gan,
L.Silvian,
L.Ling,
M.Teng,
M.Reff,
N.Takeda,
N.Timple,
Q.Wang,
R.Morena,
S.Khan,
S.Zhao,
T.Li,
W.C.Lee,
A.G.Taveras,
J.Chao.
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ABSTRACT
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Links
