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PDBsum entry 1ptu
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Complex (hydrolase/peptide)
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PDB id
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1ptu
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Contents |
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* Residue conservation analysis
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Enzyme class:
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E.C.3.1.3.48
- protein-tyrosine-phosphatase.
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Reaction:
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O-phospho-L-tyrosyl-[protein] + H2O = L-tyrosyl-[protein] + phosphate
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O-phospho-L-tyrosyl-[protein]
Bound ligand (Het Group name = )
matches with 76.19% similarity
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+
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H2O
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=
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L-tyrosyl-[protein]
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+
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phosphate
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Molecule diagrams generated from .mol files obtained from the
KEGG ftp site
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DOI no:
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Science
268:1754-1758
(1995)
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PubMed id:
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Structural basis for phosphotyrosine peptide recognition by protein tyrosine phosphatase 1B.
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Z.Jia,
D.Barford,
A.J.Flint,
N.K.Tonks.
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ABSTRACT
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The crystal structures of a cysteine-215-->serine mutant of protein tyrosine
phosphatase 1B complexed with high-affinity peptide substrates corresponding to
an autophosphorylation site of the epidermal growth factor receptor were
determined. Peptide binding to the protein phosphatase was accompanied by a
conformational change of a surface loop that created a phosphotyrosine
recognition pocket and induced a catalytically competent form of the enzyme. The
phosphotyrosine side chain is buried within the period and anchors the peptide
substrate to its binding site. Hydrogen bonds between peptide main-chain atoms
and the protein contribute to binding affinity, and specific interactions of
acidic residues of the peptide with basic residues on the surface of the enzyme
confer sequence specificity.
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Literature references that cite this PDB file's key reference
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PubMed id
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Reference
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L.Liu,
S.C.Kohout,
Q.Xu,
S.Müller,
C.R.Kimberlin,
E.Y.Isacoff,
and
D.L.Minor
(2012).
A glutamate switch controls voltage-sensitive phosphatase function.
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Nat Struct Mol Biol,
19,
633-641.
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PDB codes:
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E.Darian,
O.Guvench,
B.Yu,
C.K.Qu,
and
A.D.Mackerell
(2011).
Structural mechanism associated with domain opening in gain-of-function mutations in SHP2 phosphatase.
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Proteins,
79,
1573-1588.
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L.Piovan,
L.Wu,
Z.Y.Zhang,
and
L.H.Andrade
(2011).
Hypervalent organochalcogenanes as inhibitors of protein tyrosine phosphatases.
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Org Biomol Chem,
9,
1347-1351.
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L.Gao,
H.Sun,
and
S.Q.Yao
(2010).
Activity-based high-throughput determination of PTPs substrate specificity using a phosphopeptide microarray.
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Biopolymers,
94,
810-819.
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S.C.Yip,
S.Saha,
and
J.Chernoff
(2010).
PTP1B: a double agent in metabolism and oncogenesis.
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Trends Biochem Sci,
35,
442-449.
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X.Zhang,
Y.He,
S.Liu,
Z.Yu,
Z.X.Jiang,
Z.Yang,
Y.Dong,
S.C.Nabinger,
L.Wu,
A.M.Gunawan,
L.Wang,
R.J.Chan,
and
Z.Y.Zhang
(2010).
Salicylic acid based small molecule inhibitor for the oncogenic Src homology-2 domain containing protein tyrosine phosphatase-2 (SHP2).
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J Med Chem,
53,
2482-2493.
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PDB codes:
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D.Krishnamurthy,
and
A.M.Barrios
(2009).
Profiling protein tyrosine phosphatase activity with mechanistic probes.
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Curr Opin Chem Biol,
13,
375-381.
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D.Vidović,
and
S.C.Schürer
(2009).
Knowledge-based characterization of similarity relationships in the human protein-tyrosine phosphatase family for rational inhibitor design.
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J Med Chem,
52,
6649-6659.
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J.F.Wang,
K.Gong,
D.Q.Wei,
Y.X.Li,
and
K.C.Chou
(2009).
Molecular dynamics studies on the interactions of PTP1B with inhibitors: from the first phosphate-binding site to the second one.
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Protein Eng Des Sel,
22,
349-355.
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J.Jiang,
D.Zeng,
and
S.Li
(2009).
Photogenerated quinone methides as protein affinity labeling reagents.
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Chembiochem,
10,
635-638.
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K.Hofmeyer,
and
J.E.Treisman
(2009).
The receptor protein tyrosine phosphatase LAR promotes R7 photoreceptor axon targeting by a phosphatase-independent signaling mechanism.
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Proc Natl Acad Sci U S A,
106,
19399-19404.
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K.M.Heinonen,
A.Bourdeau,
K.M.Doody,
and
M.L.Tremblay
(2009).
Protein tyrosine phosphatases PTP-1B and TC-PTP play nonredundant roles in macrophage development and IFN-gamma signaling.
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Proc Natl Acad Sci U S A,
106,
9368-9372.
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M.C.Balasu,
L.N.Spiridon,
S.Miron,
C.T.Craescu,
A.J.Scheidig,
A.J.Petrescu,
and
S.E.Szedlacsek
(2009).
Interface analysis of the complex between ERK2 and PTP-SL.
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PLoS ONE,
4,
e5432.
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M.Köhn
(2009).
Immobilization strategies for small molecule, peptide and protein microarrays.
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J Pept Sci,
15,
393-397.
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S.H.Lim,
S.K.Kwon,
M.K.Lee,
J.Moon,
D.G.Jeong,
E.Park,
S.J.Kim,
B.C.Park,
S.C.Lee,
S.E.Ryu,
D.Y.Yu,
B.H.Chung,
E.Kim,
P.K.Myung,
and
J.R.Lee
(2009).
Synapse formation regulated by protein tyrosine phosphatase receptor T through interaction with cell adhesion molecules and Fyn.
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EMBO J,
28,
3564-3578.
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S.Hsu,
Y.Kim,
S.Li,
E.S.Durrant,
R.M.Pace,
V.L.Woods,
and
M.S.Gentry
(2009).
Structural insights into glucan phosphatase dynamics using amide hydrogen-deuterium exchange mass spectrometry.
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Biochemistry,
48,
9891-9902.
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T.D.Bugg
(2009).
Oxygenases get to grips with polypeptides.
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Structure,
17,
913-914.
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V.Shetty,
and
T.A.Neubert
(2009).
Characterization of novel oxidation products of cysteine in an active site motif peptide of PTP1B.
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J Am Soc Mass Spectrom,
20,
1540-1548.
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Z.Huang,
and
C.F.Wong
(2009).
Docking flexible peptide to flexible protein by molecular dynamics using two implicit-solvent models: an evaluation in protein kinase and phosphatase systems.
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J Phys Chem B,
113,
14343-14354.
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D.A.Critton,
A.Tortajada,
G.Stetson,
W.Peti,
and
R.Page
(2008).
Structural basis of substrate recognition by hematopoietic tyrosine phosphatase.
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Biochemistry,
47,
13336-13345.
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PDB codes:
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G.LaPointe,
D.Atlan,
and
C.Gilbert
(2008).
Characterization and site-directed mutagenesis of Wzb, an O-phosphatase from Lactobacillus rhamnosus.
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BMC Biochem,
9,
10.
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K.Bharatham,
N.Bharatham,
Y.J.Kwon,
and
K.W.Lee
(2008).
Molecular dynamics simulation study of PTP1B with allosteric inhibitor and its application in receptor based pharmacophore modeling.
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J Comput Aided Mol Des,
22,
925-933.
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L.Tabernero,
A.R.Aricescu,
E.Y.Jones,
and
S.E.Szedlacsek
(2008).
Protein tyrosine phosphatases: structure-function relationships.
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FEBS J,
275,
867-882.
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R.J.Gruninger,
L.Brent Selinger,
and
S.C.Mosimann
(2008).
Effect of ionic strength and oxidation on the P-loop conformation of the protein tyrosine phosphatase-like phytase, PhyAsr.
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FEBS J,
275,
3783-3792.
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PDB codes:
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S.Liu,
B.Zhou,
H.Yang,
Y.He,
Z.X.Jiang,
S.Kumar,
L.Wu,
and
Z.Y.Zhang
(2008).
Aryl vinyl sulfonates and sulfones as active site-directed and mechanism-based probes for protein tyrosine phosphatases.
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J Am Chem Soc,
130,
8251-8260.
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PDB codes:
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S.Liu,
L.F.Zeng,
L.Wu,
X.Yu,
T.Xue,
A.M.Gunawan,
Y.Q.Long,
and
Z.Y.Zhang
(2008).
Targeting inactive enzyme conformation: aryl diketoacid derivatives as a new class of PTP1B inhibitors.
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J Am Chem Soc,
130,
17075-17084.
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PDB codes:
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X.Y.Zhang,
V.L.Chen,
M.S.Rosen,
E.R.Blair,
A.M.Lone,
and
A.C.Bishop
(2008).
Allele-specific inhibition of divergent protein tyrosine phosphatases with a single small molecule.
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Bioorg Med Chem,
16,
8090-8097.
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A.A.Puhl,
R.J.Gruninger,
R.Greiner,
T.W.Janzen,
S.C.Mosimann,
and
L.B.Selinger
(2007).
Kinetic and structural analysis of a bacterial protein tyrosine phosphatase-like myo-inositol polyphosphatase.
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Protein Sci,
16,
1368-1378.
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PDB codes:
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A.C.Bishop,
X.Y.Zhang,
and
A.M.Lone
(2007).
Generation of inhibitor-sensitive protein tyrosine phosphatases via active-site mutations.
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Methods,
42,
278-288.
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A.S.Wavreille,
M.Garaud,
Y.Zhang,
and
D.Pei
(2007).
Defining SH2 domain and PTP specificity by screening combinatorial peptide libraries.
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Methods,
42,
207-219.
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G.C.Fox,
M.Shafiq,
D.C.Briggs,
P.P.Knowles,
M.Collister,
M.J.Didmon,
V.Makrantoni,
R.J.Dickinson,
S.Hanrahan,
N.Totty,
M.J.Stark,
S.M.Keyse,
and
N.Q.McDonald
(2007).
Redox-mediated substrate recognition by Sdp1 defines a new group of tyrosine phosphatases.
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Nature,
447,
487-492.
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PDB codes:
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H.C.Matozo,
M.A.Santos,
M.de Oliveira Neto,
L.Bleicher,
L.M.Lima,
R.Iuliano,
A.Fusco,
and
I.Polikarpov
(2007).
Low-resolution structure and fluorescence anisotropy analysis of protein tyrosine phosphatase eta catalytic domain.
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Biophys J,
92,
4424-4432.
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H.M.Chu,
and
A.H.Wang
(2007).
Enzyme-substrate interactions revealed by the crystal structures of the archaeal Sulfolobus PTP-fold phosphatase and its phosphopeptide complexes.
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Proteins,
66,
996.
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PDB codes:
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J.A.Ubersax,
and
J.E.Ferrell
(2007).
Mechanisms of specificity in protein phosphorylation.
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Nat Rev Mol Cell Biol,
8,
530-541.
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M.Stuible,
L.Zhao,
I.Aubry,
D.Schmidt-Arras,
F.D.Böhmer,
C.J.Li,
and
M.L.Tremblay
(2007).
Cellular inhibition of protein tyrosine phosphatase 1B by uncharged thioxothiazolidinone derivatives.
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Chembiochem,
8,
179-186.
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P.Chiarugi,
and
F.Buricchi
(2007).
Protein tyrosine phosphorylation and reversible oxidation: two cross-talking posttranslation modifications.
|
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Antioxid Redox Signal,
9,
1.
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S.J.Kim,
D.G.Jeong,
T.S.Yoon,
J.H.Son,
S.K.Cho,
S.E.Ryu,
and
J.H.Kim
(2007).
Crystal structure of human TMDP, a testis-specific dual specificity protein phosphatase: implications for substrate specificity.
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Proteins,
66,
239-245.
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PDB code:
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T.S.Girish,
and
B.Gopal
(2007).
The crystal structure of the catalytic domain of the chick retinal neurite inhibitor-receptor protein tyrosine phosphatase CRYP-2/cPTPRO.
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Proteins,
68,
1011-1015.
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PDB code:
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A.J.Barr,
J.E.Debreczeni,
J.Eswaran,
and
S.Knapp
(2006).
Crystal structure of human protein tyrosine phosphatase 14 (PTPN14) at 1.65-A resolution.
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Proteins,
63,
1132-1136.
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PDB code:
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A.Ostman,
C.Hellberg,
and
F.D.Böhmer
(2006).
Protein-tyrosine phosphatases and cancer.
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Nat Rev Cancer,
6,
307-320.
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F.V.Rao,
H.C.Dorfmueller,
F.Villa,
M.Allwood,
I.M.Eggleston,
and
D.M.van Aalten
(2006).
Structural insights into the mechanism and inhibition of eukaryotic O-GlcNAc hydrolysis.
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EMBO J,
25,
1569-1578.
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PDB codes:
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H.C.Matozo,
A.S.Nascimento,
M.A.Santos,
R.Iuliano,
A.Fusco,
and
I.Polikarpov
(2006).
Crystallization and preliminary X-ray diffraction analysis of rat protein tyrosine phosphatase eta.
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Acta Crystallogr Sect F Struct Biol Cryst Commun,
62,
923-925.
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J.E.Marlo,
and
C.J.Desai
(2006).
Loss of phosphatase activity in Ptp69D alleles supporting axon guidance defects.
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J Cell Biochem,
98,
1296-1307.
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M.J.Begley,
G.S.Taylor,
M.A.Brock,
P.Ghosh,
V.L.Woods,
and
J.E.Dixon
(2006).
Molecular basis for substrate recognition by MTMR2, a myotubularin family phosphoinositide phosphatase.
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Proc Natl Acad Sci U S A,
103,
927-932.
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PDB codes:
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A.Salmeen,
and
D.Barford
(2005).
Functions and mechanisms of redox regulation of cysteine-based phosphatases.
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Antioxid Redox Signal,
7,
560-577.
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H.J.Nam,
F.Poy,
H.Saito,
and
C.A.Frederick
(2005).
Structural basis for the function and regulation of the receptor protein tyrosine phosphatase CD45.
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J Exp Med,
201,
441-452.
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PDB codes:
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I.Gouni-Berthold,
E.Giannakidou,
D.Müller-Wieland,
M.Faust,
J.Kotzka,
H.K.Berthold,
and
W.Krone
(2005).
The Pro387Leu variant of protein tyrosine phosphatase-1B is not associated with diabetes mellitus type 2 in a German population.
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J Intern Med,
257,
272-280.
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C.Wiesmann,
K.J.Barr,
J.Kung,
J.Zhu,
D.A.Erlanson,
W.Shen,
B.J.Fahr,
M.Zhong,
L.Taylor,
M.Randal,
R.S.McDowell,
and
S.K.Hansen
(2004).
Allosteric inhibition of protein tyrosine phosphatase 1B.
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Nat Struct Mol Biol,
11,
730-737.
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PDB codes:
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F.Cvrcková,
M.Novotný,
D.Pícková,
and
V.Zárský
(2004).
Formin homology 2 domains occur in multiple contexts in angiosperms.
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BMC Genomics,
5,
44.
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S.D.Taylor,
and
B.Hill
(2004).
Recent advances in protein tyrosine phosphatase 1B inhibitors.
|
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Expert Opin Investig Drugs,
13,
199-214.
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S.Shibuya
(2004).
[Synthesis of phosphonic acid and phosphinic acid derivatives for development of biologically active compounds]
|
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Yakugaku Zasshi,
124,
725-749.
|
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A.Salmeen,
J.N.Andersen,
M.P.Myers,
T.C.Meng,
J.A.Hinks,
N.K.Tonks,
and
D.Barford
(2003).
Redox regulation of protein tyrosine phosphatase 1B involves a sulphenyl-amide intermediate.
|
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Nature,
423,
769-773.
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PDB codes:
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C.C.Stebbins,
C.Watzl,
D.D.Billadeau,
P.J.Leibson,
D.N.Burshtyn,
and
E.O.Long
(2003).
Vav1 dephosphorylation by the tyrosine phosphatase SHP-1 as a mechanism for inhibition of cellular cytotoxicity.
|
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Mol Cell Biol,
23,
6291-6299.
|
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C.H.Gray,
V.M.Good,
N.K.Tonks,
and
D.Barford
(2003).
The structure of the cell cycle protein Cdc14 reveals a proline-directed protein phosphatase.
|
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EMBO J,
22,
3524-3535.
|
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PDB codes:
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M.J.Begley,
G.S.Taylor,
S.A.Kim,
D.M.Veine,
J.E.Dixon,
and
J.A.Stuckey
(2003).
Crystal structure of a phosphoinositide phosphatase, MTMR2: insights into myotubular myopathy and Charcot-Marie-Tooth syndrome.
|
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Mol Cell,
12,
1391-1402.
|
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PDB codes:
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R.L.van Montfort,
M.Congreve,
D.Tisi,
R.Carr,
and
H.Jhoti
(2003).
Oxidation state of the active-site cysteine in protein tyrosine phosphatase 1B.
|
| |
Nature,
423,
773-777.
|
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PDB codes:
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T.M.Frimurer,
G.H.Peters,
L.F.Iversen,
H.S.Andersen,
N.P.Møller,
and
O.H.Olsen
(2003).
Ligand-induced conformational changes: improved predictions of ligand binding conformations and affinities.
|
| |
Biophys J,
84,
2273-2281.
|
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|
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Y.Kim,
A.E.Rice,
and
J.M.Denu
(2003).
Intramolecular dephosphorylation of ERK by MKP3.
|
| |
Biochemistry,
42,
15197-15207.
|
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Z.Y.Zhang,
and
S.Y.Lee
(2003).
PTP1B inhibitors as potential therapeutics in the treatment of type 2 diabetes and obesity.
|
| |
Expert Opin Investig Drugs,
12,
223-233.
|
 |
|
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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.
Where a reference describes a PDB structure, the PDB
codes are
shown on the right.
|
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}
}
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