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データを開く
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基本情報
登録情報 | データベース: PDB / ID: 1qkn | ||||||
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タイトル | RAT OESTROGEN RECEPTOR BETA LIGAND-BINDING DOMAIN IN COMPLEX WITH ANTAGONIST RALOXIFENE | ||||||
![]() | ESTROGEN RECEPTOR BETA | ||||||
![]() | NUCLEAR RECEPTOR / TRANSCRIPTION FACTOR / ANTAGONIST | ||||||
機能・相同性 | ![]() negative regulation of behavior / cellular response to magnetism / response to bisphenol A / ESR-mediated signaling / PIP3 activates AKT signaling / estrogen binding / estradiol binding / response to insecticide / epithelial cell maturation involved in prostate gland development / amygdala development ...negative regulation of behavior / cellular response to magnetism / response to bisphenol A / ESR-mediated signaling / PIP3 activates AKT signaling / estrogen binding / estradiol binding / response to insecticide / epithelial cell maturation involved in prostate gland development / amygdala development / response to human chorionic gonadotropin / hormone-mediated apoptotic signaling pathway / Extra-nuclear estrogen signaling / Sertoli cell proliferation / PI5P, PP2A and IER3 Regulate PI3K/AKT Signaling / Sertoli cell development / prostate gland development / response to genistein / Nuclear Receptor transcription pathway / organic cyclic compound binding / negative regulation of androgen receptor signaling pathway / steroid hormone binding / hormone binding / response to salt / prostate gland epithelium morphogenesis / peroxisome proliferator activated receptor binding / positive regulation of epidermal growth factor receptor signaling pathway / nuclear steroid receptor activity / hypothalamus development / heterocyclic compound binding / negative regulation of feeding behavior / female gonad development / response to testosterone / nuclear estrogen receptor activity / response to dexamethasone / androgen receptor signaling pathway / uterus development / vagina development / cellular response to organic cyclic compound / estrous cycle / negative regulation of reactive oxygen species metabolic process / behavioral fear response / estrogen receptor signaling pathway / cellular response to estrogen stimulus / estrogen response element binding / nuclear receptor-mediated steroid hormone signaling pathway / ovarian follicle development / steroid binding / response to nutrient levels / cerebellum development / response to hormone / epithelial cell proliferation / response to activity / cellular response to estradiol stimulus / promoter-specific chromatin binding / protein-DNA complex / negative regulation of smooth muscle cell proliferation / neuron migration / response to organic cyclic compound / brain development / positive regulation of DNA-binding transcription factor activity / response to estrogen / vasodilation / nuclear receptor activity / negative regulation of epithelial cell proliferation / male gonad development / cellular response to xenobiotic stimulus / response to estradiol / regulation of cell population proliferation / DNA-binding transcription activator activity, RNA polymerase II-specific / cellular response to lipopolysaccharide / perikaryon / response to ethanol / negative regulation of neuron apoptotic process / cell population proliferation / sequence-specific DNA binding / learning or memory / positive regulation of ERK1 and ERK2 cascade / response to xenobiotic stimulus / positive regulation of apoptotic process / RNA polymerase II cis-regulatory region sequence-specific DNA binding / negative regulation of cell population proliferation / neuronal cell body / regulation of transcription by RNA polymerase II / positive regulation of DNA-templated transcription / perinuclear region of cytoplasm / enzyme binding / negative regulation of transcription by RNA polymerase II / positive regulation of transcription by RNA polymerase II / mitochondrion / DNA binding / zinc ion binding / nucleus / cytoplasm 類似検索 - 分子機能 | ||||||
生物種 | ![]() ![]() | ||||||
手法 | ![]() ![]() ![]() | ||||||
![]() | Pike, A.C.W. / Brzozowski, A.M. / Carlquist, M. | ||||||
![]() | ![]() タイトル: Structure of the Ligand-Binding Domain of Oestrogen Receptor Beta in the Presence of a Partial Agonist and a Full Antagonist 著者: Pike, A.C.W. / Brzozowski, A.M. / Hubbard, R.E. / Bonn, T. / Thorsell, A.-G. / Engstrom, O. / Ljunggren, J. / Gustaffson, J.-A. / Carlquist, M. #1: ![]() タイトル: Molecular Basis of Agonism and Antagonism in the Oestrogen Receptor 著者: Brzozowski, A.M. / Pike, A.C.W. / Dauter, Z. / Hubbard, R.E. / Bonn, T. / Engstrom, O. / Ohman, L. / Greene, G.L. / Gustaffson, J.-A. / Carlquist, M. | ||||||
履歴 |
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構造の表示
構造ビューア | 分子: ![]() ![]() |
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ダウンロードとリンク
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ダウンロード
PDBx/mmCIF形式 | ![]() | 64.3 KB | 表示 | ![]() |
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PDB形式 | ![]() | 45.5 KB | 表示 | ![]() |
PDBx/mmJSON形式 | ![]() | ツリー表示 | ![]() | |
その他 | ![]() |
-検証レポート
文書・要旨 | ![]() | 706.7 KB | 表示 | ![]() |
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文書・詳細版 | ![]() | 714.8 KB | 表示 | |
XML形式データ | ![]() | 13.4 KB | 表示 | |
CIF形式データ | ![]() | 18.6 KB | 表示 | |
アーカイブディレクトリ | ![]() ![]() | HTTPS FTP |
-関連構造データ
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リンク
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集合体
登録構造単位 | ![]()
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単位格子 |
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詳細 | BIOLOGICAL_UNIT: DIMER |
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要素
#1: タンパク質 | 分子量: 28686.002 Da / 分子数: 1 / 断片: LIGAND-BINDING DOMAIN / 由来タイプ: 組換発現 / 詳細: COMPLEXED WITH THE ANTAGONIST RALOXIFENE / 由来: (組換発現) ![]() ![]() ![]() ![]() |
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#2: 化合物 | ChemComp-ACT / |
#3: 化合物 | ChemComp-RAL / |
#4: 水 | ChemComp-HOH / |
構成要素の詳細 | BINDS ESTROGENS WITH AN AFFINITY SIMILAR TO THAT OF ERALPHA, AND ACTIVATES EXPRESSION OF REPORTER ...BINDS ESTROGENS WITH AN AFFINITY SIMILAR TO THAT OF ERALPHA, AND ACTIVATES EXPRESSION |
-実験情報
-実験
実験 | 手法: ![]() |
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試料調製
結晶 | マシュー密度: 2.87 Å3/Da / 溶媒含有率: 57 % | ||||||||||||||||||||||||||||||
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結晶化 | pH: 4.8 詳細: 7.5% (W/V) PEG 4000, 0.1M AMMONIUM ACETATE, 3% (W/V) DIMETHYLFORMAMIDE, 0.025M SODIUM ACETATE, PH 4.8 | ||||||||||||||||||||||||||||||
結晶化 | *PLUS 温度: 18 ℃ / 手法: 蒸気拡散法, ハンギングドロップ法詳細: drop consists of 1:2 mixture of well and protein solutions | ||||||||||||||||||||||||||||||
溶液の組成 | *PLUS
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-データ収集
回折 | 平均測定温度: 100 K |
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放射光源 | 由来: ![]() ![]() ![]() |
検出器 | タイプ: MARRESEARCH / 検出器: IMAGE PLATE / 日付: 1997年11月30日 |
放射 | プロトコル: SINGLE WAVELENGTH / 単色(M)・ラウエ(L): M / 散乱光タイプ: x-ray |
放射波長 | 波長: 0.9096 Å / 相対比: 1 |
反射 | 解像度: 2.25→25 Å / Num. obs: 16904 / % possible obs: 99 % / Observed criterion σ(I): -3 / 冗長度: 4 % / Biso Wilson estimate: 32 Å2 / Rsym value: 0.077 / Net I/σ(I): 8.5 |
反射 シェル | 解像度: 2.25→2.29 Å / 冗長度: 4 % / Mean I/σ(I) obs: 2 / Rsym value: 0.467 / % possible all: 98.7 |
反射 | *PLUS Num. measured all: 97187 / Rmerge(I) obs: 0.077 |
反射 シェル | *PLUS % possible obs: 98.7 % / Rmerge(I) obs: 0.467 |
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解析
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精密化 | 構造決定の手法: ![]() 開始モデル: PDB ENTRY 1ERE 解像度: 2.25→25 Å / 交差検証法: THROUGHOUT / σ(F): 0 / ESU R: 0.24392 / ESU R Free: 0.22001 詳細: BULK SOLVENT CORRECTION CALCULATED IN XPLOR V3.843 WAS USED THROUGHOUT REFINEMENT. THE C-TERMINAL HELIX (H12) IS VISIBLE BUT POORLY DEFINED IN THE ELECTRON DENSITY MAPS. CONSEQUENTLY THIS ...詳細: BULK SOLVENT CORRECTION CALCULATED IN XPLOR V3.843 WAS USED THROUGHOUT REFINEMENT. THE C-TERMINAL HELIX (H12) IS VISIBLE BUT POORLY DEFINED IN THE ELECTRON DENSITY MAPS. CONSEQUENTLY THIS REGION HAS EXTREMELY HIGH TEMPERATURE FACTORS BUT ITS INCLUSION IN THE MODEL WAS REFLECTED BY AN APPRECIABLE DROP IN FREE R FACTOR.
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原子変位パラメータ | Biso mean: 47 Å2
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精密化ステップ | サイクル: LAST / 解像度: 2.25→25 Å
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拘束条件 |
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