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Table 1 Selection of agonist and antagonist docking structures.

From: Competitive molecular docking approach for predicting estrogen receptor subtype α agonists and antagonists

Structure

Resolution (Å)

Mutation/Modified residues

Bound ligand

1GWR (agonist)

2.4

-

Estradiol

3ERT (antagonist)

1.9

-

4-hydroxytamoxifen

  1. Crystal structures selected from the PDB to be targets for the agonist and antagonist docking and the associated details.
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BMC Bioinformatics

ISSN: 1471-2105

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