› 8dud

X-ray diffraction
1.81Å resolution

Estrogen Receptor Alpha Ligand Binding Domain in Complex with (6'-hydroxy-1'-(4-(2-(1-propylpyrrolidin-3-yl)ethoxy)phenyl)-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl)(phenyl)methanone

Released:
DOI: 10.2210/pdb8dud/pdb
PDB entry 8dud coloured by chain, front view.
PDB entry 8dud coloured by chain, side view.
PDB entry 8dud coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Unconventional isoquinoline-based SERMs elicit fulvestrant-like transcriptional programs in ER+ breast cancer cells.
Hancock GR, Young KS, Hosfield DJ, Joiner C, Sullivan EA, Yildiz Y, Lainé M, Greene GL, Fanning SW
OpenAccess logo NPJ Breast Cancer 8 130 (2022)
PMID: 36517522

Function and Biology Details

Biochemical function:
  • not assigned
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-136919 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Estrogen receptor Chain: A
Molecule details ›
Chain: A
Length: 255 amino acids
Theoretical weight: 29.03 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P03372 (Residues: 301-554; Coverage: 43%)
Gene names: ESR, ESR1, NR3A1
Sequence domains: Ligand-binding domain of nuclear hormone receptor

Ligands and Environments

1 bound ligand:
Ligand TV3 1 x TV3
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 19-BM
Spacegroup: P6522
Unit cell:
a: 58.775Å b: 58.775Å c: 276.784Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.214 0.212 0.255
Expression system: Escherichia coli

Quick links

Citations

1 citations in other articles

Editorial: Hormone resistance in cancer.
Phoenix et al. (2023)

1 mention without citation

Unconventional isoquinoline-based SERMs elicit fulvestrant-like transcriptional programs in ER+ breast cancer cells.
Hancock et al. (2022)