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PDBsum entry 3ft5
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Contents |
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* Residue conservation analysis
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PDB id:
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Chaperone
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Title:
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Structure of hsp90 bound with a novel fragment
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Structure:
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Heat shock protein hsp 90-alpha. Chain: a. Fragment: n-terminal domain. Synonym: hsp 86, renal carcinoma antigen ny-ren-38. Engineered: yes
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Source:
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Homo sapiens. Human. Organism_taxid: 9606. Gene: hsp90aa1, hsp90a, hspc1, hspca. Expressed in: escherichia coli. Expression_system_taxid: 562.
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Resolution:
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1.90Å
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R-factor:
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0.221
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R-free:
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0.264
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Authors:
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J.B.Barker,O.Mather,R.K.Y.Cheng,S.Palan,B.Felicetti
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Key ref:
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J.J.Barker
et al.
(2009).
Fragment-based identification of Hsp90 inhibitors.
Chemmedchem,
4,
963-966.
PubMed id:
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Date:
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12-Jan-09
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Release date:
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05-May-09
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PROCHECK
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Headers
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References
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P07900
(HS90A_HUMAN) -
Heat shock protein HSP 90-alpha from Homo sapiens
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Seq:
Struc:
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732 a.a.
207 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.3.6.4.10
- non-chaperonin molecular chaperone ATPase.
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Reaction:
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ATP + H2O = ADP + phosphate + H+
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ATP
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+
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H2O
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=
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ADP
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+
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phosphate
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+
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H(+)
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Molecule diagrams generated from .mol files obtained from the
KEGG ftp site
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Chemmedchem
4:963-966
(2009)
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PubMed id:
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Fragment-based identification of Hsp90 inhibitors.
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J.J.Barker,
O.Barker,
R.Boggio,
V.Chauhan,
R.K.Cheng,
V.Corden,
S.M.Courtney,
N.Edwards,
V.M.Falque,
F.Fusar,
M.Gardiner,
E.M.Hamelin,
T.Hesterkamp,
O.Ichihara,
R.S.Jones,
O.Mather,
C.Mercurio,
S.Minucci,
C.A.Montalbetti,
A.Müller,
D.Patel,
B.G.Phillips,
M.Varasi,
M.Whittaker,
D.Winkler,
C.J.Yarnold.
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ABSTRACT
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Heat shock protein 90 (Hsp90) plays a key role in stress response and protection
of the cell against the effects of mutation. Herein we report the identification
of an Hsp90 inhibitor identified by fragment screening using a
high-concentration biochemical assay, as well as its optimisation by in silico
searching coupled with a structure-based drug design (SBDD) approach.
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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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A.G.Coyne,
D.E.Scott,
and
C.Abell
(2010).
Drugging challenging targets using fragment-based approaches.
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Curr Opin Chem Biol,
14,
299-307.
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C.W.Murray,
and
T.L.Blundell
(2010).
Structural biology in fragment-based drug design.
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Curr Opin Struct Biol,
20,
497-507.
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J.J.Barker,
O.Barker,
S.M.Courtney,
M.Gardiner,
T.Hesterkamp,
O.Ichihara,
O.Mather,
C.A.Montalbetti,
A.Müller,
M.Varasi,
M.Whittaker,
and
C.J.Yarnold
(2010).
Discovery of a novel Hsp90 inhibitor by fragment linking.
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ChemMedChem,
5,
1697-1700.
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M.Sgobba,
and
G.Rastelli
(2009).
Structure-based and in silico design of Hsp90 inhibitors.
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ChemMedChem,
4,
1399-1409.
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M.Whittaker
(2009).
Picking up the pieces with FBDD or FADD: invest early for future success.
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Drug Discov Today,
14,
623-624.
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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
