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PDBsum entry 4ejn
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Transferase/transferase inhibitor
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PDB id
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4ejn
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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 autoinhibited form of akt1 in complex with n-(4- (5-(3-acetamidophenyl)-2-(2-aminopyridin-3-yl)-3h-imidazo[4,5- b]pyridin-3-yl)benzyl)-3-fluorobenzamide
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Structure:
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Rac-alpha serine/threonine-protein kinase. Chain: a. Synonym: protein kinase b, pkb, protein kinase b alpha, pkb alpha, proto-oncogenE C-akt, rac-pk-alpha. Engineered: yes. Mutation: yes
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Source:
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Homo sapiens. Human. Organism_taxid: 9606. Gene: akt1, pkb, rac. Expressed in: spodoptera frugiperda. Expression_system_taxid: 7108
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Resolution:
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2.19Å
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R-factor:
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0.239
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R-free:
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0.276
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Authors:
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S.Eathiraj
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Key ref:
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M.A.Ashwell
et al.
(2012).
Discovery and optimization of a series of 3-(3-phenyl-3H-imidazo[4,5-b]pyridin-2-yl)pyridin-2-amines: orally bioavailable, selective, and potent ATP-independent Akt inhibitors.
J Med Chem,
55,
5291-5310.
PubMed id:
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Date:
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06-Apr-12
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Release date:
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23-May-12
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PROCHECK
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Headers
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References
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P31749
(AKT1_HUMAN) -
RAC-alpha serine/threonine-protein kinase from Homo sapiens
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Seq:
Struc:
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480 a.a.
376 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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J Med Chem
55:5291-5310
(2012)
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PubMed id:
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Discovery and optimization of a series of 3-(3-phenyl-3H-imidazo[4,5-b]pyridin-2-yl)pyridin-2-amines: orally bioavailable, selective, and potent ATP-independent Akt inhibitors.
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M.A.Ashwell,
J.M.Lapierre,
C.Brassard,
K.Bresciano,
C.Bull,
S.Cornell-Kennon,
S.Eathiraj,
D.S.France,
T.Hall,
J.Hill,
E.Kelleher,
S.Khanapurkar,
D.Kizer,
S.Koerner,
J.Link,
Y.Liu,
S.Makhija,
M.Moussa,
N.Namdev,
K.Nguyen,
R.Nicewonger,
R.Palma,
J.Szwaya,
M.Tandon,
U.Uppalapati,
D.Vensel,
L.P.Volak,
E.Volckova,
N.Westlund,
H.Wu,
R.Y.Yang,
T.C.Chan.
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ABSTRACT
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