 |
PDBsum entry 1pyn
|
|
|
|
|
 |
Contents |
 |
|
|
|
|
|
|
|
|
|
|
|
|
* Residue conservation analysis
|
|
|
|
|
|
PDB id:
|
|
|
|
| Name: |
|
Hydrolase
|
|
|
Title:
|
|
Dual-site potent, selective protein tyrosine phosphatase 1b inhibitor using a linked fragment strategy and a malonate head on the first site
|
|
Structure:
|
|
Protein-tyrosine phosphatase, non-receptor type 1. Chain: a. Fragment: ptp1b catalytic domain. Synonym: protein-tyrosine phosphatase 1b, ptp-1b. Engineered: yes
|
|
Source:
|
|
Homo sapiens. Human. Organism_taxid: 9606. Gene: ptpn1 or ptp1b. Expressed in: escherichia coli bl21(de3). Expression_system_taxid: 469008.
|
|
Resolution:
|
|
|
2.20Å
|
R-factor:
|
0.211
|
R-free:
|
0.224
|
|
|
Authors:
|
|
B.G.Szczepankiewicz,G.Liu,P.J.Hajduk,C.Abad-Zapatero,P.Zhonghua, T.Lubben,J.M.Trevillyan,M.Stashko,S.J.Ballaron,H.Liang
|
|
Key ref:
|
|
Z.Pei
et al.
(2003).
Discovery and SAR of novel, potent and selective protein tyrosine phosphatase 1B inhibitors.
Bioorg Med Chem Lett,
13,
3129-3132.
PubMed id:
DOI:
|
|
|
Date:
|
|
|
09-Jul-03
|
Release date:
|
16-Sep-03
|
|
|
|
|
|
|
PROCHECK
|
|
|
|
|
|
Headers
|
|
|
|
References
|
|
|
|
|
|
|
|
P18031
(PTN1_HUMAN) -
Tyrosine-protein phosphatase non-receptor type 1 from Homo sapiens
|
|
|
|
Seq:
Struc:
|
|
|
|
435 a.a.
283 a.a.
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
Key: |
 |
PfamA domain |
|
|
 |
Secondary structure |
|
 |
CATH domain |
|
|
|
|
|
|
|
|
|
|
|
|
|
Enzyme class:
|
|
E.C.3.1.3.48
- protein-tyrosine-phosphatase.
|
|
|
|
|
|
|
Reaction:
|
|
O-phospho-L-tyrosyl-[protein] + H2O = L-tyrosyl-[protein] + phosphate
|
|
|
|
|
|
O-phospho-L-tyrosyl-[protein]
|
+
|
H2O
|
=
|
L-tyrosyl-[protein]
|
+
|
phosphate
|
|
|
|
|
|
|
|
|
|
|
|
|
Molecule diagrams generated from .mol files obtained from the
KEGG ftp site
|
|
|
|
|
|
|
|
|
|
|
|
|
|
 |
|
|
|
|
|
|
| |
|
|
| |
|
DOI no:
|
Bioorg Med Chem Lett
13:3129-3132
(2003)
|
|
PubMed id:
|
|
|
|
|
|
| |
|
Discovery and SAR of novel, potent and selective protein tyrosine phosphatase 1B inhibitors.
|
|
Z.Pei,
X.Li,
G.Liu,
C.Abad-Zapatero,
T.Lubben,
T.Zhang,
S.J.Ballaron,
C.W.Hutchins,
J.M.Trevillyan,
M.R.Jirousek.
|
|
|
|
|
| |
ABSTRACT
|
|
|
|
| |
|
|
A salicylate second site binder was linked to three classes of phosphotyrosine
mimetics to produce potent protein tyrosine phosphatase 1B (PTP1B) inhibitors
which exhibit significant selectivity against other phosphatases including the
most homologous member, TCPTP.
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
 |
 |
 |
|
Literature references that cite this PDB file's key reference
|
|
|
| |
PubMed id
|
|
Reference
|
|
|
|
|
|
J.P.Yesudas,
F.B.Sayyed,
and
C.H.Suresh
(2011).
Analysis of structural water and CH···π interactions in HIV-1 protease and PTP1B complexes using a hydrogen bond prediction tool, HBPredicT.
|
| |
J Mol Model,
17,
401-413.
|
|
|
|
|
|
|
S.Lee,
and
Q.Wang
(2007).
Recent development of small molecular specific inhibitor of protein tyrosine phosphatase 1B.
|
| |
Med Res Rev,
27,
553-573.
|
|
|
|
|
|
|
L.Bialy,
and
H.Waldmann
(2005).
Inhibitors of protein tyrosine phosphatases: next-generation drugs?
|
| |
Angew Chem Int Ed Engl,
44,
3814-3839.
|
|
|
|
|
|
|
N.C.Meisner,
M.Hintersteiner,
V.Uhl,
T.Weidemann,
M.Schmied,
H.Gstach,
and
M.Auer
(2004).
The chemical hunt for the identification of drugable targets.
|
| |
Curr Opin Chem Biol,
8,
424-431.
|
|
|
|
|
|
|
S.D.Taylor,
and
B.Hill
(2004).
Recent advances in protein tyrosine phosphatase 1B inhibitors.
|
| |
Expert Opin Investig Drugs,
13,
199-214.
|
|
|
|
|
|
The most recent references are shown first.
Citation data come partly from CiteXplore and partly
from an automated harvesting procedure. Note that this is likely to be
only a partial list as not all journals are covered by
either method. However, we are continually building up the citation data
so more and more references will be included with time.
|
|
Links
