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PDBsum entry 4wlb
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Transcription
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PDB id
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4wlb
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PDB id:
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| Name: |
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Transcription
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Title:
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Crystal structure of rorc in complex with a partial inverse agonist compound
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Structure:
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Nuclear receptor ror-gamma. Chain: a, b. Fragment: ror-gamma ligand binding domain. Synonym: nuclear receptor rzr-gamma,nuclear receptor subfamily 1 group f member 3,rar-related orphan receptor c,retinoid-related orphan receptor-gamma. Engineered: yes. Src-1 peptide. Chain: d, e.
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Source:
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Homo sapiens. Human. Organism_taxid: 9606. Gene: rorc, nr1f3, rorg, rzrg. Expressed in: escherichia coli. Expression_system_taxid: 562. Synthetic: yes. Other_details: synthetic peptide
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Resolution:
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1.70Å
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R-factor:
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0.183
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R-free:
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0.226
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Authors:
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G.Boenig,S.G.Hymowitz,J.R.Kiefer
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Key ref:
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M.B.van Niel
et al.
(2014).
A reversed sulfonamide series of selective RORc inverse agonists.
Bioorg Med Chem Lett,
24,
5769-5776.
PubMed id:
DOI:
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Date:
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07-Oct-14
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Release date:
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12-Nov-14
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PROCHECK
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Headers
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References
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P51449
(RORG_HUMAN) -
Nuclear receptor ROR-gamma from Homo sapiens
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Seq:
Struc:
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518 a.a.
248 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 2 residue positions (black
crosses)
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DOI no:
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Bioorg Med Chem Lett
24:5769-5776
(2014)
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PubMed id:
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A reversed sulfonamide series of selective RORc inverse agonists.
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M.B.van Niel,
B.P.Fauber,
M.Cartwright,
S.Gaines,
J.C.Killen,
O.René,
S.I.Ward,
G.de Leon Boenig,
Y.Deng,
C.Eidenschenk,
C.Everett,
E.Gancia,
A.Ganguli,
A.Gobbi,
J.Hawkins,
A.R.Johnson,
J.R.Kiefer,
H.La,
P.Lockey,
M.Norman,
W.Ouyang,
A.Qin,
N.Wakes,
B.Waszkowycz,
H.Wong.
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ABSTRACT
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The identification of a new series of RORc inverse agonists is described.
Comprehensive structure-activity relationship studies of this reversed
sulfonamide series identified potent RORc inverse agonists in biochemical and
cellular assays which were also selective against a panel of nuclear receptors.
Our work has contributed a compound that may serve as a useful in vitro tool to
delineate the complex biological pathways involved in signalling through RORc.
An X-ray co-crystal structure of an analogue with RORc has also provided useful
insights into the binding interactions of the new series.
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Links
