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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: 1gwq | ||||||
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タイトル | HUMAN OESTROGEN RECEPTOR ALPHA LIGAND-BINDING DOMAIN IN COMPLEX WITH RALOXIFENE CORE AND TIF2 NRBOX2 PEPTIDE | ||||||
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![]() | NUCLEAR RECEPTOR / TRANSCRIPTION FACTOR / TRANSACTIVATION / AGONIST / AF2 COACTIVATOR / RECEPTOR / ACTIVATOR / TRANSCRIPTI REGULATION / DNA-BINDING / NUCLEAR PROTEIN / ZINC FINGER / STER BINDING / PHOSPHORYLATION / POLYMORPHISM / ALTERNATIVE SPLICIN | ||||||
機能・相同性 | ![]() regulation of epithelial cell apoptotic process / antral ovarian follicle growth / G protein-coupled estrogen receptor activity / RNA polymerase II intronic transcription regulatory region sequence-specific DNA binding / regulation of branching involved in prostate gland morphogenesis / RUNX1 regulates transcription of genes involved in WNT signaling / RUNX1 regulates estrogen receptor mediated transcription / regulation of toll-like receptor signaling pathway / prostate epithelial cord arborization involved in prostate glandular acinus morphogenesis / nuclear estrogen receptor activity ...regulation of epithelial cell apoptotic process / antral ovarian follicle growth / G protein-coupled estrogen receptor activity / RNA polymerase II intronic transcription regulatory region sequence-specific DNA binding / regulation of branching involved in prostate gland morphogenesis / RUNX1 regulates transcription of genes involved in WNT signaling / RUNX1 regulates estrogen receptor mediated transcription / regulation of toll-like receptor signaling pathway / prostate epithelial cord arborization involved in prostate glandular acinus morphogenesis / nuclear estrogen receptor activity / epithelial cell proliferation involved in mammary gland duct elongation / epithelial cell development / prostate epithelial cord elongation / locomotor rhythm / negative regulation of smooth muscle cell apoptotic process / mammary gland branching involved in pregnancy / uterus development / vagina development / aryl hydrocarbon receptor binding / TFIIB-class transcription factor binding / regulation of lipid metabolic process / androgen metabolic process / steroid hormone receptor signaling pathway / cellular response to Thyroglobulin triiodothyronine / regulation of glucose metabolic process / Synthesis of bile acids and bile salts / mammary gland alveolus development / estrogen receptor signaling pathway / cellular response to estrogen stimulus / Endogenous sterols / Synthesis of bile acids and bile salts via 27-hydroxycholesterol / estrogen response element binding / Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol / : / nuclear receptor-mediated steroid hormone signaling pathway / negative regulation of canonical NF-kappaB signal transduction / Nuclear signaling by ERBB4 / RNA polymerase II preinitiation complex assembly / regulation of cellular response to insulin stimulus / Recycling of bile acids and salts / cellular response to hormone stimulus / protein localization to chromatin / 14-3-3 protein binding / positive regulation of adipose tissue development / peroxisome proliferator activated receptor signaling pathway / RORA activates gene expression / TBP-class protein binding / nitric-oxide synthase regulator activity / steroid binding / Regulation of lipid metabolism by PPARalpha / TFAP2 (AP-2) family regulates transcription of growth factors and their receptors / ESR-mediated signaling / transcription corepressor binding / BMAL1:CLOCK,NPAS2 activates circadian gene expression / negative regulation of miRNA transcription / SUMOylation of transcription cofactors / Activation of gene expression by SREBF (SREBP) / nuclear receptor coactivator activity / positive regulation of nitric-oxide synthase activity / cellular response to estradiol stimulus / transcription coregulator binding / response to progesterone / stem cell differentiation / nuclear estrogen receptor binding / nuclear receptor binding / circadian regulation of gene expression / Heme signaling / SUMOylation of intracellular receptors / euchromatin / mRNA transcription by RNA polymerase II / Activated PKN1 stimulates transcription of AR (androgen receptor) regulated genes KLK2 and KLK3 / Transcriptional activation of mitochondrial biogenesis / negative regulation of DNA-binding transcription factor activity / PPARA activates gene expression / Cytoprotection by HMOX1 / beta-catenin binding / transcription coactivator binding / positive regulation of DNA-binding transcription factor activity / Transcriptional regulation of white adipocyte differentiation / Nuclear Receptor transcription pathway / response to estrogen / RNA polymerase II transcription regulator complex / Regulation of RUNX2 expression and activity / Constitutive Signaling by Aberrant PI3K in Cancer / nuclear receptor activity / male gonad development / positive regulation of nitric oxide biosynthetic process / sequence-specific double-stranded DNA binding / positive regulation of fibroblast proliferation / Ovarian tumor domain proteases / Circadian Clock / PIP3 activates AKT signaling / response to estradiol / phospholipase C-activating G protein-coupled receptor signaling pathway / HATs acetylate histones / positive regulation of cytosolic calcium ion concentration / ATPase binding / regulation of inflammatory response / fibroblast proliferation / PI5P, PP2A and IER3 Regulate PI3K/AKT Signaling 類似検索 - 分子機能 | ||||||
生物種 | ![]() | ||||||
手法 | ![]() ![]() | ||||||
![]() | Pike, A.C.W. / Brzozowski, A.M. | ||||||
![]() | ![]() タイトル: Interaction of Transcriptional Intermediary Factor 2 Nuclear Receptor Box Peptides with the Coactivator Binding Site of Estrogen Receptor Alpha. 著者: Warnmark, A. / Treuter, E. / Gustafsson, J.-A. / Hubbard, R.E. / Brzozowski, A.M. / Pike, A.C.W. #1: ![]() タイトル: Molecular Basis of Agonism and Antagonism in the Oestrogen Receptor 著者: Brzozowski, A.M. / Pike, A.C. / Dauter, Z. / Hubbard, R.E. / Bonn, T. / Engstrom, O. / Ohman, L. / Greene, G.L. / Gustafsson, 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 | ![]() | 115.4 KB | 表示 | ![]() |
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PDB形式 | ![]() | 90 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 | ![]() | 466.7 KB | 表示 | ![]() |
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文書・詳細版 | ![]() | 481.8 KB | 表示 | |
XML形式データ | ![]() | 22.9 KB | 表示 | |
CIF形式データ | ![]() | 31.2 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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1 | ![]()
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単位格子 |
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非結晶学的対称性 (NCS) | NCS oper: (Code: given Matrix: (0.95729, 0.00948, 0.28897), ベクター: |
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要素
#1: タンパク質 | 分子量: 28368.426 Da / 分子数: 2 / 断片: LIGAND-BINDING DOMAIN, RESIDUES 301-548 / 由来タイプ: 組換発現 詳細: LIGAND-BINDING DOMAIN (DOMAIN E - RESIDUES 260-500) IN COMPLEX WITH THE AGONIST RALOXIFENE CORE 由来: (組換発現) ![]() ![]() ![]() #2: タンパク質・ペプチド | 分子量: 1138.383 Da / 分子数: 2 / 断片: NUCLEAR RECEPTOR BOX II, RESIDUES 688-696 / 由来タイプ: 合成 詳細: TIF2 NR-BOX REGION 2 DERIVED PEPTIDE (RESIDUES 685-696) 由来: (合成) ![]() #3: 化合物 | #4: 水 | ChemComp-HOH / | |
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-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: 2.19 Å3/Da / 溶媒含有率: 44 % |
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結晶化 | pH: 8.5 / 詳細: 6-11% (W/V) PEG 1500, 4% (V/V) DMF, pH 8.50 |
結晶化 | *PLUS 温度: 18 ℃ / 手法: 蒸気拡散法, ハンギングドロップ法 |
-データ収集
回折 | 平均測定温度: 120 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: 1998年11月15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: 1.5418 Å / 相対比: 1 |
反射 | 解像度: 2.45→25 Å / Num. obs: 19048 / % possible obs: 99.5 % / Observed criterion σ(I): -3 / 冗長度: 3.5 % / Biso Wilson estimate: 42 Å2 / Rmerge(I) obs: 0.066 / Net I/σ(I): 9 |
反射 シェル | 解像度: 2.45→2.49 Å / 冗長度: 3.5 % / Rmerge(I) obs: 0.302 / Mean I/σ(I) obs: 8 / % possible all: 93.9 |
反射 | *PLUS 最低解像度: 25 Å / Num. measured all: 182603 |
反射 シェル | *PLUS % possible obs: 93.9 % / Num. unique obs: 895 |
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解析
ソフトウェア |
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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: 2.45→20 Å / Cor.coef. Fo:Fc: 0.935 / Cor.coef. Fo:Fc free: 0.897 / 交差検証法: THROUGHOUT / σ(F): 0 / ESU R: 1 / ESU R Free: 0.33 / 立体化学のターゲット値: MAXIMUM LIKELIHOOD 詳細: SCALING DETAILS BABINET"S PRINCIPLE FOR SCALING HAS BEEN USED BULK SOLVENT CORRECTION BASED ON CONSTANT VALUE HAS BEEN USED METHOD USED: BULK SOLVENT CONTRIBUTIONS CALCULATED BY XPLOR WERE ...詳細: SCALING DETAILS BABINET"S PRINCIPLE FOR SCALING HAS BEEN USED BULK SOLVENT CORRECTION BASED ON CONSTANT VALUE HAS BEEN USED METHOD USED: BULK SOLVENT CONTRIBUTIONS CALCULATED BY XPLOR WERE INCORPORATED IN THE FORM OF PARTIAL STRUCTURE FACTORS
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原子変位パラメータ | Biso mean: 37.5 Å2 | ||||||||||||||||||||
精密化ステップ | サイクル: LAST / 解像度: 2.45→20 Å
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LS精密化 シェル | 解像度: 2.45→2.56 Å / Total num. of bins used: 20 /
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精密化 | *PLUS 最低解像度: 20 Å / % reflection Rfree: 5 % | ||||||||||||||||||||
溶媒の処理 | *PLUS | ||||||||||||||||||||
原子変位パラメータ | *PLUS | ||||||||||||||||||||
拘束条件 | *PLUS
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