+データを開く
-基本情報
登録情報 | データベース: PDB / ID: 2qbp | ||||||
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タイトル | Crystal structure of ptp1b-inhibitor complex | ||||||
要素 | Tyrosine-protein phosphatase non-receptor type 1 | ||||||
キーワード | HYDROLASE / PROTEIN-INHIBITOR COMPLEX | ||||||
機能・相同性 | 機能・相同性情報 regulation of hepatocyte growth factor receptor signaling pathway / PTK6 Down-Regulation / peptidyl-tyrosine dephosphorylation involved in inactivation of protein kinase activity / positive regulation of receptor catabolic process / insulin receptor recycling / negative regulation of PERK-mediated unfolded protein response / negative regulation of vascular endothelial growth factor receptor signaling pathway / regulation of intracellular protein transport / IRE1-mediated unfolded protein response / cytoplasmic side of endoplasmic reticulum membrane ...regulation of hepatocyte growth factor receptor signaling pathway / PTK6 Down-Regulation / peptidyl-tyrosine dephosphorylation involved in inactivation of protein kinase activity / positive regulation of receptor catabolic process / insulin receptor recycling / negative regulation of PERK-mediated unfolded protein response / negative regulation of vascular endothelial growth factor receptor signaling pathway / regulation of intracellular protein transport / IRE1-mediated unfolded protein response / cytoplasmic side of endoplasmic reticulum membrane / platelet-derived growth factor receptor-beta signaling pathway / sorting endosome / mitochondrial crista / positive regulation of IRE1-mediated unfolded protein response / regulation of type I interferon-mediated signaling pathway / regulation of endocytosis / non-membrane spanning protein tyrosine phosphatase activity / positive regulation of protein tyrosine kinase activity / peptidyl-tyrosine dephosphorylation / Regulation of IFNA/IFNB signaling / regulation of signal transduction / cellular response to unfolded protein / growth hormone receptor signaling pathway via JAK-STAT / negative regulation of endoplasmic reticulum stress-induced intrinsic apoptotic signaling pathway / negative regulation of signal transduction / Regulation of IFNG signaling / MECP2 regulates neuronal receptors and channels / Growth hormone receptor signaling / endoplasmic reticulum unfolded protein response / positive regulation of JUN kinase activity / Insulin receptor recycling / negative regulation of insulin receptor signaling pathway / ephrin receptor binding / Integrin signaling / protein dephosphorylation / protein-tyrosine-phosphatase / negative regulation of MAP kinase activity / protein phosphatase 2A binding / protein tyrosine phosphatase activity / endosome lumen / insulin receptor binding / Negative regulation of MET activity / negative regulation of ERK1 and ERK2 cascade / receptor tyrosine kinase binding / insulin receptor signaling pathway / actin cytoskeleton organization / early endosome / mitochondrial matrix / cadherin binding / protein kinase binding / enzyme binding / endoplasmic reticulum / protein-containing complex / RNA binding / zinc ion binding / cytoplasm / cytosol 類似検索 - 分子機能 | ||||||
生物種 | Homo sapiens (ヒト) | ||||||
手法 | X線回折 / 分子置換 / 解像度: 2.5 Å | ||||||
データ登録者 | Xu, W. | ||||||
引用 | ジャーナル: J.Med.Chem. / 年: 2007 タイトル: Structure-based optimization of protein tyrosine phosphatase 1B inhibitors: from the active site to the second phosphotyrosine binding site. 著者: Wilson, D.P. / Wan, Z.K. / Xu, W.X. / Kirincich, S.J. / Follows, B.C. / Joseph-McCarthy, D. / Foreman, K. / Moretto, A. / Wu, J. / Zhu, M. / Binnun, E. / Zhang, Y.L. / Tam, M. / Erbe, D.V. / ...著者: Wilson, D.P. / Wan, Z.K. / Xu, W.X. / Kirincich, S.J. / Follows, B.C. / Joseph-McCarthy, D. / Foreman, K. / Moretto, A. / Wu, J. / Zhu, M. / Binnun, E. / Zhang, Y.L. / Tam, M. / Erbe, D.V. / Tobin, J. / Xu, X. / Leung, L. / Shilling, A. / Tam, S.Y. / Mansour, T.S. / Lee, J. #1: ジャーナル: Bioorg.Med.Chem. / 年: 2006 タイトル: Bicyclic and Tricyclic Thiophenes as Protein Tyrosine Phosphatase 1B Inhibitor 著者: Moretto, A.F. / Kirincich, S.J. / Xu, W.X. / Smith, M.J. / Wan, Z.-K. / Wilson, D.P. / Follows, B.C. / Binnun, E. / Joseph-Mccarthy, D. / Foreman, K. / Erbe, D.V. / Zhang, Y.-L. / Tam, S.K. / Tam, S.Y. / Lee, J. | ||||||
履歴 |
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-構造の表示
構造ビューア | 分子: MolmilJmol/JSmol |
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-ダウンロードとリンク
-ダウンロード
PDBx/mmCIF形式 | 2qbp.cif.gz | 74.5 KB | 表示 | PDBx/mmCIF形式 |
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PDB形式 | pdb2qbp.ent.gz | 55.8 KB | 表示 | PDB形式 |
PDBx/mmJSON形式 | 2qbp.json.gz | ツリー表示 | PDBx/mmJSON形式 | |
その他 | その他のダウンロード |
-検証レポート
文書・要旨 | 2qbp_validation.pdf.gz | 698.3 KB | 表示 | wwPDB検証レポート |
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文書・詳細版 | 2qbp_full_validation.pdf.gz | 704.7 KB | 表示 | |
XML形式データ | 2qbp_validation.xml.gz | 15 KB | 表示 | |
CIF形式データ | 2qbp_validation.cif.gz | 20.4 KB | 表示 | |
アーカイブディレクトリ | https://data.pdbj.org/pub/pdb/validation_reports/qb/2qbp ftp://data.pdbj.org/pub/pdb/validation_reports/qb/2qbp | HTTPS FTP |
-関連構造データ
-リンク
-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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-要素
#1: タンパク質 | 分子量: 34833.723 Da / 分子数: 1 断片: Tyrosine-protein phosphatase domain, CATALYTIC DOMAIN 由来タイプ: 組換発現 / 由来: (組換発現) Homo sapiens (ヒト) / 遺伝子: PTPN1, PTP1B / 発現宿主: Escherichia coli (大腸菌) / 参照: UniProt: P18031, protein-tyrosine-phosphatase |
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#2: 化合物 | ChemComp-527 / |
#3: 水 | ChemComp-HOH / |
-実験情報
-実験
実験 | 手法: X線回折 / 使用した結晶の数: 1 |
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-試料調製
結晶 | マシュー密度: 3.38 Å3/Da / 溶媒含有率: 63.61 % |
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結晶化 | pH: 7 詳細: 17% PEG 4000, 0.15M MAGNESIUM CHLORIDE, 0.1M HEPES, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 278K, pH 7.00 |
-データ収集
回折 | 平均測定温度: 113 K |
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放射光源 | 由来: 回転陽極 / タイプ: RIGAKU RU200 / 波長: 1.5418 |
検出器 | タイプ: RIGAKU RAXIS IV / 検出器: IMAGE PLATE / 日付: 2002年7月3日 |
放射 | モノクロメーター: YALE MIRRORS / 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: 2.5→20 Å / Num. obs: 15847 / % possible obs: 94.6 % / Observed criterion σ(I): 2 |
反射 シェル | 解像度: 2.5→2.54 Å / % possible all: 98.9 |
-解析
ソフトウェア |
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精密化 | 構造決定の手法: 分子置換 / 解像度: 2.5→20 Å / 交差検証法: THROUGHOUT / σ(F): 0 / 立体化学のターゲット値: ENGH & HUBER
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精密化ステップ | サイクル: LAST / 解像度: 2.5→20 Å
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拘束条件 |
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