 |
PDBsum entry 3vap
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
 |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
Transferase/transferase inhibitor
|
PDB id
|
|
|
|
3vap
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
PDB id:
|
|
|
|
| Name: |
|
Transferase/transferase inhibitor
|
|
|
Title:
|
|
Synthesis and sar studies of imidazo-[1,2-a]-pyrazine aurora kinase inhibitors with improved off target kinase selectivity
|
|
Structure:
|
|
Aurora kinase a. Chain: a. Fragment: unp residues 125-391. Synonym: aurora 2, 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 6, serine/threonine-protein kinase aurora-a. Engineered: yes
|
|
Source:
|
|
Homo sapiens. Human. Organism_taxid: 9606. Gene: aurka, aik, airk1, ark1, aura, ayk1, btak, iak1, stk15, stk6. Expressed in: escherichia coli. Expression_system_taxid: 511693.
|
|
Resolution:
|
|
|
2.66Å
|
R-factor:
|
0.205
|
R-free:
|
0.247
|
|
|
Authors:
|
|
M.E.Voss,M.P.Rainka,M.Fleming,L.H.Peterson,D.B.Belanger,M.A.Siddiqui, A.Hruza,J.Voigt,A.D.Basso,K.Gray
|
|
Key ref:
|
|
M.E.Voss
et al.
(2012).
Synthesis and SAR studies of imidazo-[1,2-a]-pyrazine Aurora kinase inhibitors with improved off-target kinase selectivity.
Bioorg Med Chem Lett,
22,
3544-3549.
PubMed id:
|
|
|
Date:
|
|
|
29-Dec-11
|
Release date:
|
02-May-12
|
|
|
|
|
|
|
PROCHECK
|
|
|
|
|
|
Headers
|
|
|
|
References
|
|
|
|
|
|
|
|
O14965
(AURKA_HUMAN) -
Aurora kinase A from Homo sapiens
|
|
|
|
Seq:
Struc:
|
|
|
|
403 a.a.
249 a.a.
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
Key: |
 |
PfamA domain |
|
|
 |
Secondary structure |
|
 |
CATH domain |
|
|
|
|
|
|
|
|
|
|
|
|
|
Enzyme class:
|
|
E.C.2.7.11.1
- non-specific serine/threonine protein kinase.
|
|
|
|
|
|
|
Reaction:
|
|
|
1.
|
L-seryl-[protein] + ATP = O-phospho-L-seryl-[protein] + ADP + H+
|
|
2.
|
L-threonyl-[protein] + ATP = O-phospho-L-threonyl-[protein] + ADP + H+
|
|
|
|
|
|
|
L-seryl-[protein]
|
+
|
ATP
|
=
|
O-phospho-L-seryl-[protein]
|
+
|
ADP
|
+
|
H(+)
|
|
|
|
|
|
|
L-threonyl-[protein]
|
+
|
ATP
|
=
|
O-phospho-L-threonyl-[protein]
|
+
|
ADP
|
+
|
H(+)
|
|
|
|
|
|
|
|
|
|
|
|
|
Molecule diagrams generated from .mol files obtained from the
KEGG ftp site
|
|
|
|
|
|
|
|
|
|
|
|
|
|
 |
|
|
|
|
|
|
| |
|
|
| |
|
|
Bioorg Med Chem Lett
22:3544-3549
(2012)
|
|
PubMed id:
|
|
|
|
|
|
| |
|
Synthesis and SAR studies of imidazo-[1,2-a]-pyrazine Aurora kinase inhibitors with improved off-target kinase selectivity.
|
|
M.E.Voss,
M.P.Rainka,
M.Fleming,
L.H.Peterson,
D.B.Belanger,
M.A.Siddiqui,
A.Hruza,
J.Voigt,
K.Gray,
A.D.Basso.
|
|
|
|
|
| |
ABSTRACT
|
|
|
|
| |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
 |
 |
 |
|
Links
