+データを開く
-基本情報
登録情報 | データベース: PDB / ID: 3ctq | ||||||
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タイトル | Structure of MAP kinase p38 in complex with a 1-o-tolyl-1,2,3-triazole-4-carboxamide | ||||||
要素 | Mitogen-activated protein kinase 14MAPK14 | ||||||
キーワード | TRANSFERASE (転移酵素) / Two lobe kinase fold / N-terminal beta-sheet / C-terminal alpha-helix / Alternative splicing (選択的スプライシング) / ATP-binding / Cytoplasm (細胞質) / Kinase (キナーゼ) / Nucleotide-binding / Nucleus (Nucleus) / Phosphoprotein / Polymorphism / Serine/threonine-protein kinase | ||||||
機能・相同性 | 機能・相同性情報 positive regulation of cyclase activity / Activation of PPARGC1A (PGC-1alpha) by phosphorylation / CD163 mediating an anti-inflammatory response / regulation of synaptic membrane adhesion / stress-induced premature senescence / cell surface receptor protein serine/threonine kinase signaling pathway / 3'-UTR-mediated mRNA stabilization / KSRP (KHSRP) binds and destabilizes mRNA / DSCAM interactions / cartilage condensation ...positive regulation of cyclase activity / Activation of PPARGC1A (PGC-1alpha) by phosphorylation / CD163 mediating an anti-inflammatory response / regulation of synaptic membrane adhesion / stress-induced premature senescence / cell surface receptor protein serine/threonine kinase signaling pathway / 3'-UTR-mediated mRNA stabilization / KSRP (KHSRP) binds and destabilizes mRNA / DSCAM interactions / cartilage condensation / cellular response to UV-B / Platelet sensitization by LDL / stress-activated protein kinase signaling cascade / mitogen-activated protein kinase p38 binding / positive regulation of myoblast fusion / positive regulation of muscle cell differentiation / negative regulation of hippo signaling / positive regulation of myotube differentiation / NFAT protein binding / Myogenesis / glucose import / response to dietary excess / Activation of the AP-1 family of transcription factors / ERK/MAPK targets / regulation of cytokine production involved in inflammatory response / p38MAPK cascade / Β酸化 / cellular response to lipoteichoic acid / MAP kinase kinase activity / response to muramyl dipeptide / RHO GTPases Activate NADPH Oxidases / regulation of ossification / MAP kinase activity / 分裂促進因子活性化タンパク質キナーゼ / cellular response to vascular endothelial growth factor stimulus / positive regulation of myoblast differentiation / chondrocyte differentiation / vascular endothelial growth factor receptor signaling pathway / stress-activated MAPK cascade / skeletal muscle tissue development / signal transduction in response to DNA damage / lipopolysaccharide-mediated signaling pathway / negative regulation of inflammatory response to antigenic stimulus / positive regulation of cardiac muscle cell proliferation / p38MAPK events / striated muscle cell differentiation / response to muscle stretch / positive regulation of brown fat cell differentiation / positive regulation of interleukin-12 production / osteoclast differentiation / positive regulation of erythrocyte differentiation / placenta development / DNA damage checkpoint signaling / activated TAK1 mediates p38 MAPK activation / cellular response to ionizing radiation / 細胞分化 / positive regulation of glucose import / negative regulation of canonical Wnt signaling pathway / response to insulin / NOD1/2 Signaling Pathway / 骨 / cell morphogenesis / 凝固・線溶系 / osteoblast differentiation / cellular response to virus / VEGFA-VEGFR2 Pathway / 紡錘体 / positive regulation of protein import into nucleus / ADP signalling through P2Y purinoceptor 1 / glucose metabolic process / positive regulation of reactive oxygen species metabolic process / 走化性 / 細胞老化 / cellular response to tumor necrosis factor / protein phosphatase binding / peptidyl-serine phosphorylation / 血管新生 / Oxidative Stress Induced Senescence / secretory granule lumen / cellular response to lipopolysaccharide / Regulation of TP53 Activity through Phosphorylation / ficolin-1-rich granule lumen / transcription by RNA polymerase II / cell surface receptor signaling pathway / intracellular signal transduction / nuclear speck / protein serine kinase activity / protein serine/threonine kinase activity / glutamatergic synapse / apoptotic process / Neutrophil degranulation / positive regulation of gene expression / regulation of transcription by RNA polymerase II / enzyme binding / シグナル伝達 / positive regulation of transcription by RNA polymerase II / ミトコンドリア / extracellular region / 核質 / ATP binding 類似検索 - 分子機能 | ||||||
生物種 | Homo sapiens (ヒト) | ||||||
手法 | X線回折 / 解像度: 1.95 Å | ||||||
データ登録者 | Qian, K. | ||||||
引用 | ジャーナル: Bioorg.Med.Chem.Lett. / 年: 2008 タイトル: Structure-based design and subsequent optimization of 2-tolyl-(1,2,3-triazol-1-yl-4-carboxamide) inhibitors of p38 MAP kinase. 著者: Cogan, D.A. / Aungst, R. / Breinlinger, E.C. / Fadra, T. / Goldberg, D.R. / Hao, M.H. / Kroe, R. / Moss, N. / Pargellis, C. / Qian, K.C. / Swinamer, A.D. | ||||||
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 | 3ctq.cif.gz | 83.3 KB | 表示 | PDBx/mmCIF形式 |
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PDB形式 | pdb3ctq.ent.gz | 62.6 KB | 表示 | PDB形式 |
PDBx/mmJSON形式 | 3ctq.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
アーカイブディレクトリ | https://data.pdbj.org/pub/pdb/validation_reports/ct/3ctq ftp://data.pdbj.org/pub/pdb/validation_reports/ct/3ctq | HTTPS FTP |
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-関連構造データ
類似構造データ |
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-リンク
-集合体
登録構造単位 |
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単位格子 |
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-要素
#1: タンパク質 | 分子量: 39800.586 Da / 分子数: 1 / 由来タイプ: 組換発現 / 由来: (組換発現) Homo sapiens (ヒト) / 遺伝子: MAPK14, CSBP, CSBP1, CSBP2, CSPB1, MXI2 / 発現宿主: Escherichia coli (大腸菌) 参照: UniProt: Q16539, 分裂促進因子活性化タンパク質キナーゼ |
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#2: 化合物 | ChemComp-337 / |
#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: 2.25 Å3/Da / 溶媒含有率: 45.39 % |
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-データ収集
放射光源 | 由来: 回転陽極 / タイプ: RIGAKU RU300 / 波長: 1.54 Å |
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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: 1.54 Å / 相対比: 1 |
反射 | 解像度: 1.95→50 Å / Num. all: 27928 / Num. obs: 24353 / % possible obs: 88 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0 |
反射 シェル | 解像度: 1.95→50 Å / % possible all: 88 |
-解析
ソフトウェア |
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精密化 | 解像度: 1.95→50 Å / σ(F): 0
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原子変位パラメータ | Biso mean: 32.993 Å2
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精密化ステップ | サイクル: LAST / 解像度: 1.95→50 Å
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拘束条件 |
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Xplor file |
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