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PDBsum entry 2bge
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Contents |
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* Residue conservation analysis
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PDB id:
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Hydrolase
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Title:
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Structure-based design of protein tyrosine phosphatase-1b inhibitors
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Structure:
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Protein-tyrosine phosphatase non-receptor type 1. Chain: a. Fragment: ptp1b catalytic domain, residues 1-321. Synonym: protein-tyrosine phosphatase 1b, ptp-1b. Engineered: yes
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Source:
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Homo sapiens. Human. Organism_taxid: 9606. Expressed in: escherichia coli. Expression_system_taxid: 469008.
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Resolution:
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1.80Å
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R-factor:
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0.218
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R-free:
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0.245
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Authors:
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E.Black,J.Breed,A.L.Breeze,K.Embrey,R.Garcia,T.W.Gero,L.Godfrey, P.W.Kenny,A.D.Morley,C.A.Minshull,A.D.Pannifer,J.Read,A.Rees, D.J.Russell,D.Toader,J.Tucker
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Key ref:
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E.Black
et al.
(2005).
Structure-based design of protein tyrosine phosphatase-1B inhibitors.
Bioorg Med Chem Lett,
15,
2503-2507.
PubMed id:
DOI:
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Date:
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21-Dec-04
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Release date:
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04-May-05
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PROCHECK
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Headers
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References
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P18031
(PTN1_HUMAN) -
Tyrosine-protein phosphatase non-receptor type 1 from Homo sapiens
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Seq:
Struc:
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435 a.a.
298 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.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]
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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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Bioorg Med Chem Lett
15:2503-2507
(2005)
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PubMed id:
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Structure-based design of protein tyrosine phosphatase-1B inhibitors.
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E.Black,
J.Breed,
A.L.Breeze,
K.Embrey,
R.Garcia,
T.W.Gero,
L.Godfrey,
P.W.Kenny,
A.D.Morley,
C.A.Minshull,
A.D.Pannifer,
J.Read,
A.Rees,
D.J.Russell,
D.Toader,
J.Tucker.
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ABSTRACT
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Using structure-based design, a new class of inhibitors of protein tyrosine
phosphatase-1B (PTP1B) has been identified, which incorporate the
1,2,5-thiadiazolidin-3-one-1,1-dioxide template.
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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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F.N.Edfeldt,
R.H.Folmer,
and
A.L.Breeze
(2011).
Fragment screening to predict druggability (ligandability) and lead discovery success.
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Drug Discov Today,
16,
284-287.
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V.V.Vintonyak,
H.Waldmann,
and
D.Rauh
(2011).
Using small molecules to target protein phosphatases.
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Bioorg Med Chem,
19,
2145-2155.
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Z.X.Jiang,
and
Z.Y.Zhang
(2008).
Targeting PTPs with small molecule inhibitors in cancer treatment.
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Cancer Metastasis Rev,
27,
263-272.
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K.Bharatham,
N.Bharatham,
and
K.W.Lee
(2007).
Pharmacophore modeling for protein tyrosine phosphatase 1B inhibitors.
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Arch Pharm Res,
30,
533-542.
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V.Ramensky,
A.Sobol,
N.Zaitseva,
A.Rubinov,
and
V.Zosimov
(2007).
A novel approach to local similarity of protein binding sites substantially improves computational drug design results.
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Proteins,
69,
349-357.
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A.R.Leach,
M.M.Hann,
J.N.Burrows,
and
E.J.Griffen
(2006).
Fragment screening: an introduction.
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Mol Biosyst,
2,
430-446.
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E.W.Yue,
B.Wayland,
B.Douty,
M.L.Crawley,
E.McLaughlin,
A.Takvorian,
Z.Wasserman,
M.J.Bower,
M.Wei,
Y.Li,
P.J.Ala,
L.Gonneville,
R.Wynn,
T.C.Burn,
P.C.Liu,
and
A.P.Combs
(2006).
Isothiazolidinone heterocycles as inhibitors of protein tyrosine phosphatases: synthesis and structure-activity relationships of a peptide scaffold.
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Bioorg Med Chem,
14,
5833-5849.
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J.Y.Winum,
A.Scozzafava,
J.L.Montero,
and
C.T.Supuran
(2006).
Therapeutic potential of sulfamides as enzyme inhibitors.
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Med Res Rev,
26,
767-792.
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J.Y.Winum,
A.Scozzafava,
J.L.Montero,
and
C.T.Supuran
(2006).
The sulfamide motif in the design of enzyme inhibitors.
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Expert Opin Ther Pat,
16,
27-47.
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P.J.Ala,
L.Gonneville,
M.C.Hillman,
M.Becker-Pasha,
M.Wei,
B.G.Reid,
R.Klabe,
E.W.Yue,
B.Wayland,
B.Douty,
P.Polam,
Z.Wasserman,
M.Bower,
A.P.Combs,
T.C.Burn,
G.F.Hollis,
and
R.Wynn
(2006).
Structural basis for inhibition of protein-tyrosine phosphatase 1B by isothiazolidinone heterocyclic phosphonate mimetics.
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J Biol Chem,
281,
32784-32795.
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PDB codes:
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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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Links
