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PDBsum entry 3dt3

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protein ligands Protein-protein interface(s) links
Transcription PDB id
3dt3
Jmol
Contents
Protein chains
236 a.a. *
240 a.a. *
Ligands
369 ×2
Waters ×100
* Residue conservation analysis
PDB id:
3dt3
Name: Transcription
Title: Human estrogen receptor alpha lbd with gw368
Structure: Estrogen receptor. Chain: a, b. Fragment: ligand binding domain. Synonym: er, estradiol receptor, er-alpha, nuclear receptor 3 group a member 1. Engineered: yes
Source: Homo sapiens. Human. Organism_taxid: 9606. Gene: esr1, esr, nr3a1. Expressed in: escherichia coli. Expression_system_taxid: 562.
Resolution:
2.40Å     R-factor:   0.207     R-free:   0.262
Authors: S.P.Williams,A.B.Miller
Key ref: J.Fang et al. (2008). Synthesis of 3-alkyl naphthalenes as novel estrogen receptor ligands. Bioorg Med Chem Lett, 18, 5075-5077. PubMed id: 18722117 DOI: 10.1016/j.bmcl.2008.07.121
Date:
14-Jul-08     Release date:   09-Sep-08    
PROCHECK
Go to PROCHECK summary
 Headers
 References

Protein chain
Pfam   ArchSchema ?
P03372  (ESR1_HUMAN) -  Estrogen receptor
Seq:
Struc:
 
Seq:
Struc:
595 a.a.
236 a.a.
Protein chain
Pfam   ArchSchema ?
P03372  (ESR1_HUMAN) -  Estrogen receptor
Seq:
Struc:
 
Seq:
Struc:
595 a.a.
240 a.a.
Key:    PfamA domain  Secondary structure  CATH domain

 Gene Ontology (GO) functional annotation 
  GO annot!
  Cellular component     nucleus   1 term 
  Biological process     steroid hormone mediated signaling pathway   2 terms 
  Biochemical function     DNA binding     3 terms  

 

 
DOI no: 10.1016/j.bmcl.2008.07.121 Bioorg Med Chem Lett 18:5075-5077 (2008)
PubMed id: 18722117  
 
 
Synthesis of 3-alkyl naphthalenes as novel estrogen receptor ligands.
J.Fang, A.Akwabi-Ameyaw, J.E.Britton, S.R.Katamreddy, F.Navas, A.B.Miller, S.P.Williams, D.W.Gray, L.A.Orband-Miller, J.Shearin, D.Heyer.
 
  ABSTRACT  
 
A series of estrogen receptor ligands based on a 3-alkyl naphthalene scaffold was synthesized using an intramolecular enolate-alkyne cycloaromatization as the key step. Several of these compounds bearing a C6-OH group were shown to be high affinity ligands. All compounds had similar ERalpha and ERbeta binding affinity ranging from micromolar to low nanomolar.
 

Literature references that cite this PDB file's key reference

  PubMed id Reference
  19967775 F.Minutolo, M.Macchia, B.S.Katzenellenbogen, and J.A.Katzenellenbogen (2011).
Estrogen receptor β ligands: recent advances and biomedical applications.
  Med Res Rev, 31, 364-442.  
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.