+
Open data
-
Basic information
Entry | Database: PDB / ID: 1nde | ||||||
---|---|---|---|---|---|---|---|
Title | Estrogen Receptor beta with Selective Triazine Modulator | ||||||
![]() | Estrogen receptor beta | ||||||
![]() | TRANSCRIPTION / estrogen receptor / estrogen receptor beta / ER / ERb / triazine / estrogen / estradiol / oestrogen | ||||||
Function / homology | ![]() receptor antagonist activity / nuclear steroid receptor activity / nuclear estrogen receptor activity / estrogen receptor signaling pathway / cellular response to estrogen stimulus / estrogen response element binding / steroid binding / ESR-mediated signaling / cellular response to estradiol stimulus / negative regulation of cell growth ...receptor antagonist activity / nuclear steroid receptor activity / nuclear estrogen receptor activity / estrogen receptor signaling pathway / cellular response to estrogen stimulus / estrogen response element binding / steroid binding / ESR-mediated signaling / cellular response to estradiol stimulus / negative regulation of cell growth / positive regulation of DNA-binding transcription factor activity / Nuclear Receptor transcription pathway / Constitutive Signaling by Aberrant PI3K in Cancer / nuclear receptor activity / PIP3 activates AKT signaling / cell-cell signaling / PI5P, PP2A and IER3 Regulate PI3K/AKT Signaling / Extra-nuclear estrogen signaling / DNA-binding transcription factor activity, RNA polymerase II-specific / RNA polymerase II cis-regulatory region sequence-specific DNA binding / intracellular membrane-bounded organelle / regulation of DNA-templated transcription / chromatin / regulation of transcription by RNA polymerase II / positive regulation of DNA-templated transcription / enzyme binding / negative regulation of transcription by RNA polymerase II / signal transduction / positive regulation of transcription by RNA polymerase II / mitochondrion / DNA binding / zinc ion binding / nucleoplasm / nucleus Similarity search - Function | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Henke, B.R. / Consler, T.G. / Go, N. / Hale, R.L. / Hohman, D.R. / Jones, S.A. / Lu, A.T. / Moore, L.B. / Moore, J.T. / Orband-Miller, L.A. ...Henke, B.R. / Consler, T.G. / Go, N. / Hale, R.L. / Hohman, D.R. / Jones, S.A. / Lu, A.T. / Moore, L.B. / Moore, J.T. / Orband-Miller, L.A. / Robinett, R.G. / Shearin, J. / Spearing, P.K. / Stewart, E.L. / Turnbull, P.S. / Weaver, S.L. / Williams, S.P. / Wisely, G.B. / Lambert, M.H. | ||||||
![]() | ![]() Title: A New Series of Estrogen Receptor Modulators That Display Selectivity for Estrogen Receptor beta Authors: Henke, B.R. / Consler, T.G. / Go, N. / Hale, R.L. / Hohman, D.R. / Jones, S.A. / Lu, A.T. / Moore, L.B. / Moore, J.T. / Orband-Miller, L.A. / Robinett, R.G. / Shearin, J. / Spearing, P.K. / ...Authors: Henke, B.R. / Consler, T.G. / Go, N. / Hale, R.L. / Hohman, D.R. / Jones, S.A. / Lu, A.T. / Moore, L.B. / Moore, J.T. / Orband-Miller, L.A. / Robinett, R.G. / Shearin, J. / Spearing, P.K. / Stewart, E.L. / Turnbull, P.S. / Weaver, S.L. / Williams, S.P. / Wisely, G.B. / Lambert, M.H. | ||||||
History |
|
-
Structure visualization
Structure viewer | Molecule: ![]() ![]() |
---|
-
Downloads & links
-
Download
PDBx/mmCIF format | ![]() | 61.4 KB | Display | ![]() |
---|---|---|---|---|
PDB format | ![]() | 43.9 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 746.7 KB | Display | ![]() |
---|---|---|---|---|
Full document | ![]() | 764.5 KB | Display | |
Data in XML | ![]() | 13.7 KB | Display | |
Data in CIF | ![]() | 17.6 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 1errS S: Starting model for refinement |
---|---|
Similar structure data |
-
Links
-
Assembly
Deposited unit | ![]()
| ||||||||
---|---|---|---|---|---|---|---|---|---|
1 |
| ||||||||
2 | ![]()
| ||||||||
3 | ![]()
| ||||||||
Unit cell |
|
-
Components
#1: Protein | Mass: 29110.553 Da / Num. of mol.: 1 / Fragment: residues 256-501 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() |
---|---|
#2: Chemical | ChemComp-MON / |
#3: Water | ChemComp-HOH / |
-Experimental details
-Experiment
Experiment | Method: ![]() |
---|
-
Sample preparation
Crystal | Density Matthews: 2.55 Å3/Da / Density % sol: 51.74 % | ||||||||||||||||||||||||||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Crystal grow | Temperature: 295 K / Method: vapor diffusion, hanging drop / pH: 6.5 Details: 50mM PIPES pH6.5, 200 mM lithium sulfate, 8-12% PEG35000, 5% sucrose, VAPOR DIFFUSION, HANGING DROP, temperature 22K, temperature 295K | ||||||||||||||||||||||||||||||||||||||||||
Crystal grow | *PLUS | ||||||||||||||||||||||||||||||||||||||||||
Components of the solutions | *PLUS
|
-Data collection
Diffraction | Mean temperature: 100 K |
---|---|
Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: MARRESEARCH / Detector: CCD / Date: Sep 15, 1998 |
Radiation | Monochromator: Si 111 CHANNEL / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1 Å / Relative weight: 1 |
Reflection | Resolution: 3→20 Å / Num. all: 6816 / Num. obs: 6686 / % possible obs: 98.1 % / Observed criterion σ(F): 2 / Observed criterion σ(I): 2 / Redundancy: 20 % / Rmerge(I) obs: 0.09 / Rsym value: 0.09 / Net I/σ(I): 3.1 |
Reflection shell | Resolution: 3→3.11 Å / Redundancy: 20 % / Rmerge(I) obs: 0.4 / Mean I/σ(I) obs: 3.1 / Num. unique all: 635 / Rsym value: 0.4 / % possible all: 100 |
Reflection | *PLUS Num. obs: 6757 / Num. measured all: 120828 / Rmerge(I) obs: 0.09 |
Reflection shell | *PLUS % possible obs: 100 % / Rmerge(I) obs: 0.4 |
-
Processing
Software |
| |||||||||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Refinement | Method to determine structure: ![]() Starting model: PDB entry 1ERR Resolution: 3→20 Å / Isotropic thermal model: Isotropic / Cross valid method: THROUGHOUT / σ(F): 0 / Stereochemistry target values: Engh & Huber / Details: Used Maximum Likelihood
| |||||||||||||||||||||||||
Displacement parameters | Biso mean: 65.16 Å2 | |||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 3→20 Å
| |||||||||||||||||||||||||
Refine LS restraints |
| |||||||||||||||||||||||||
LS refinement shell | Resolution: 3→3.11 Å / Rfactor Rfree error: 0.01
| |||||||||||||||||||||||||
Refinement | *PLUS Lowest resolution: 20 Å / % reflection Rfree: 7 % / Rfactor Rwork: 0.24 | |||||||||||||||||||||||||
Solvent computation | *PLUS | |||||||||||||||||||||||||
Displacement parameters | *PLUS | |||||||||||||||||||||||||
Refine LS restraints | *PLUS
|