 |
PDBsum entry 3r02
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
 |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
Transferase/transferase inhibitor
|
PDB id
|
|
|
|
3r02
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
PDB id:
|
|
|
|
| Name: |
|
Transferase/transferase inhibitor
|
|
|
Title:
|
|
The discovery of novel benzofuran-2-carboxylic acids as potent pim-1 inhibitors
|
|
Structure:
|
|
Proto-oncogene serine/threonine-protein kinase pim-1. Chain: a. Engineered: yes
|
|
Source:
|
|
Homo sapiens. Human. Organism_taxid: 9606. Gene: pim1. Expressed in: escherichia coli. Expression_system_taxid: 562
|
|
Resolution:
|
|
|
1.95Å
|
R-factor:
|
0.168
|
R-free:
|
0.189
|
|
|
Authors:
|
|
Y.Xiang,B.Hirth,G.Asmussen,H.-P.Biemann,A.Good,M.Fitzgerald, T.Gladysheva,K.Jancsics,J.Liu,M.Metz,A.Papoulis,R.Skerlj,D.J.Stepp, R.R.Wei
|
|
Key ref:
|
|
Y.Xiang
et al.
(2011).
The discovery of novel benzofuran-2-carboxylic acids as potent Pim-1 inhibitors.
Bioorg Med Chem Lett,
21,
3050-3056.
PubMed id:
|
|
|
Date:
|
|
|
07-Mar-11
|
Release date:
|
11-May-11
|
|
|
|
|
|
|
PROCHECK
|
|
|
|
|
|
Headers
|
|
|
|
References
|
|
|
|
|
|
|
|
P11309
(PIM1_HUMAN) -
Serine/threonine-protein kinase pim-1 from Homo sapiens
|
|
|
|
Seq:
Struc:
|
|
|
|
313 a.a.
271 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
21:3050-3056
(2011)
|
|
PubMed id:
|
|
|
|
|
|
| |
|
The discovery of novel benzofuran-2-carboxylic acids as potent Pim-1 inhibitors.
|
|
Y.Xiang,
B.Hirth,
G.Asmussen,
H.P.Biemann,
K.A.Bishop,
A.Good,
M.Fitzgerald,
T.Gladysheva,
A.Jain,
K.Jancsics,
J.Liu,
M.Metz,
A.Papoulis,
R.Skerlj,
J.D.Stepp,
R.R.Wei.
|
|
|
|
|
| |
ABSTRACT
|
|
|
|
| |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
 |
 |
 |
|
Links
