PDBsum entry 2giu

Transcription regulator

PDB id

2giu

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Contents

			Protein chain

					225 a.a. *

			Ligands

					FBR

			Waters ×59

* Residue conservation analysis

PDB id:

2giu

Links

Name:

Transcription regulator

Title:

Human estrogen receptor beta ligand-binding domain in complex with compound 45

Structure:

Estrogen receptor beta. Chain: a. Fragment: ligand-binding domain (residues 260-500). Synonym: er-beta. Engineered: yes

Source:

Homo sapiens. Human. Organism_taxid: 9606. Gene: esr2. Expressed in: escherichia coli. Expression_system_taxid: 562

Biol. unit:

Dimer (from PDB file)

Resolution:

2.20Å

R-factor:

0.227

R-free:

0.323

Authors:

P.M.D.Fitzgerald,N.Sharma

Key ref:

R.R.Wilkening et al. (2006). The discovery of tetrahydrofluorenones as a new class of estrogen receptor beta-subtype selective ligands. Bioorg Med Chem Lett, 16, 3489-3494. PubMed id: 16632357 DOI: 10.1016/j.bmcl.2006.03.098

Date:

29-Mar-06

Release date:

10-Oct-06

PROCHECK

	Headers

	References

Protein chain

Q92731 (ESR2_HUMAN) - Estrogen receptor beta from Homo sapiens

Seq: Struc:

Seq: Struc:					530 a.a. 225 a.a.

Key:

PfamA domain

Secondary structure

CATH domain



		Enzyme reactions

Enzyme class:

E.C.?

[IntEnz] [ExPASy] [KEGG] [BRENDA]

DOI no: 10.1016/j.bmcl.2006.03.098	Bioorg Med Chem Lett 16:3489-3494 (2006)
PubMed id: 16632357

The discovery of tetrahydrofluorenones as a new class of estrogen receptor beta-subtype selective ligands.
R.R.Wilkening, R.W.Ratcliffe, E.C.Tynebor, K.J.Wildonger, A.K.Fried, M.L.Hammond, R.T.Mosley, P.M.Fitzgerald, N.Sharma, B.M.McKeever, S.Nilsson, M.Carlquist, A.Thorsell, L.Locco, R.Katz, K.Frisch, E.T.Birzin, H.A.Wilkinson, S.Mitra, S.Cai, E.C.Hayes, J.M.Schaeffer, S.P.Rohrer.

ABSTRACT

Synthesis and derivatization of a series of substituted tetrahydrofluorenone analogs giving potent, ERbeta subtype selective ligands are described. Several analogs possessing ERbeta binding affinities comparable to 17beta-estradiol but with greater than 75-fold selectivity over ERalpha are reported.

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.

17518366

J.V.Turner, S.Agatonovic-Kustrin, and B.D.Glass (2007).
Molecular aspects of phytoestrogen selective binding at estrogen receptors.

J Pharm Sci, 96, 1879-1885.

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.