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PDBsum entry 2xp3
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PDB id:
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Isomerase
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Title:
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Discovery of cell-active phenyl-imidazole pin1 inhibitors by structure-guided fragment evolution
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Structure:
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Peptidyl-prolyl cis-trans isomerase nima-interacting 1. Chain: a. Synonym: pin1, peptidyl-prolyl cis-trans isomerase pin1, ppiase pin1, rotamase pin1. Engineered: yes. Mutation: 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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2.00Å
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R-factor:
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0.219
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R-free:
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0.254
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Authors:
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A.Potter,V.Oldfield,C.Nunns,C.Fromont,S.Ray,C.J.Northfield, C.J.Bryant,S.F.Scrace,D.Robinson,N.Matossova,L.Baker,P.Dokurno, A.E.Surgenor,B.E.Davis,C.M.Richardson,J.B.Murray,J.D.Moore
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Key ref:
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A.Potter
et al.
(2010).
Discovery of cell-active phenyl-imidazole Pin1 inhibitors by structure-guided fragment evolution.
Bioorg Med Chem Lett,
20,
6483-6488.
PubMed id:
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Date:
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25-Aug-10
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Release date:
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12-Jan-11
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PROCHECK
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Headers
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References
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Q13526
(PIN1_HUMAN) -
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 from Homo sapiens
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Seq:
Struc:
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163 a.a.
145 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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*
PDB and UniProt seqs differ
at 1 residue position (black
cross)
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Enzyme class:
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E.C.5.2.1.8
- peptidylprolyl isomerase.
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Reaction:
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[protein]-peptidylproline (omega=180) = [protein]-peptidylproline (omega=0)
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Peptidylproline (omega=180)
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=
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peptidylproline (omega=0)
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Molecule diagrams generated from .mol files obtained from the
KEGG ftp site
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Bioorg Med Chem Lett
20:6483-6488
(2010)
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PubMed id:
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Discovery of cell-active phenyl-imidazole Pin1 inhibitors by structure-guided fragment evolution.
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A.Potter,
V.Oldfield,
C.Nunns,
C.Fromont,
S.Ray,
C.J.Northfield,
C.J.Bryant,
S.F.Scrace,
D.Robinson,
N.Matossova,
L.Baker,
P.Dokurno,
A.E.Surgenor,
B.Davis,
C.M.Richardson,
J.B.Murray,
J.D.Moore.
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ABSTRACT
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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.Zhu,
J.Jin,
C.Liu,
C.Zhang,
Y.Sun,
Y.Guo,
D.Fu,
X.Chen,
and
B.Xu
(2011).
Synthesis and biological evaluation of novel quinazoline-derived human Pin1 inhibitors.
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Bioorg Med Chem,
19,
2797-2807.
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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.
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Links
