+データを開く
-基本情報
登録情報 | データベース: PDB / ID: 3c5u | ||||||
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タイトル | P38 ALPHA map kinase complexed with a benzothiazole based inhibitor | ||||||
要素 | Mitogen-activated protein kinase 14MAPK14 | ||||||
キーワード | TRANSFERASE (転移酵素) / SERINE/THREONINE-PROTEIN KINASE / KINASE (キナーゼ) / P38 MAP KINASE (P38分裂促進因子活性化タンパク質キナーゼ) / Alternative splicing (選択的スプライシング) / ATP-binding / Cytoplasm (細胞質) / Nucleotide-binding / Nucleus (Nucleus) / Phosphoprotein | ||||||
機能・相同性 | 機能・相同性情報 positive regulation of cyclase activity / stress-activated protein kinase signaling cascade / 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 ...positive regulation of cyclase activity / stress-activated protein kinase signaling cascade / 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 / 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 / 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 dietary excess / response to muramyl dipeptide / RHO GTPases Activate NADPH Oxidases / MAP kinase activity / regulation of ossification / 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 / signal transduction in response to DNA damage / chondrocyte differentiation / vascular endothelial growth factor receptor signaling pathway / stress-activated MAPK cascade / skeletal muscle tissue development / lipopolysaccharide-mediated signaling pathway / positive regulation of cardiac muscle cell proliferation / negative regulation of inflammatory response to antigenic stimulus / 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 / DNA damage checkpoint signaling / activated TAK1 mediates p38 MAPK activation / cellular response to ionizing radiation / 細胞分化 / positive regulation of glucose import / placenta development / NOD1/2 Signaling Pathway / response to insulin / 骨 / negative regulation of canonical Wnt signaling pathway / cell morphogenesis / 凝固・線溶系 / cellular response to virus / VEGFA-VEGFR2 Pathway / 紡錘体 / positive regulation of protein import into nucleus / osteoblast differentiation / 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 / peptidyl-serine phosphorylation / protein phosphatase binding / secretory granule lumen / Oxidative Stress Induced Senescence / 血管新生 / Regulation of TP53 Activity through Phosphorylation / cellular response to lipopolysaccharide / 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 / シンクロトロン / 分子置換 / 解像度: 2.8 Å | ||||||
データ登録者 | Sack, J.S. | ||||||
引用 | ジャーナル: Bioorg.Med.Chem.Lett. / 年: 2008 タイトル: Benzothiazole based inhibitors of p38alpha MAP kinase. 著者: Liu, C. / Lin, J. / Pitt, S. / Zhang, R.F. / Sack, J.S. / Kiefer, S.E. / Kish, K. / Doweyko, A.M. / Zhang, H. / Marathe, P.H. / Trzaskos, J. / Mckinnon, M. / Dodd, J.H. / Barrish, J.C. / ...著者: Liu, C. / Lin, J. / Pitt, S. / Zhang, R.F. / Sack, J.S. / Kiefer, S.E. / Kish, K. / Doweyko, A.M. / Zhang, H. / Marathe, P.H. / Trzaskos, J. / Mckinnon, M. / Dodd, J.H. / Barrish, J.C. / Schieven, G.L. / Leftheris, K. | ||||||
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 | 3c5u.cif.gz | 84.7 KB | 表示 | PDBx/mmCIF形式 |
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PDB形式 | pdb3c5u.ent.gz | 64 KB | 表示 | PDB形式 |
PDBx/mmJSON形式 | 3c5u.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/c5/3c5u ftp://data.pdbj.org/pub/pdb/validation_reports/c5/3c5u | HTTPS FTP |
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-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: 42105.004 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 / 細胞株 (発現宿主): BL21 DE3 / 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 | #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: 4.32 Å3/Da / 溶媒含有率: 71.55 % |
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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: シンクロトロン / サイト: APS / ビームライン: 32-ID / 波長: 1 |
検出器 | タイプ: MARRESEARCH / 検出器: CCD / 日付: 2004年3月29日 / 詳細: MICROMAX CONFOCAL |
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 Å / 相対比: 1 |
反射 | 解像度: 2.8→50 Å / Num. obs: 17473 / % possible obs: 91.7 % / Observed criterion σ(I): 0 / 冗長度: 7.6 % / Biso Wilson estimate: 76.615 Å2 / Rmerge(I) obs: 0.098 / Net I/σ(I): 16.4 |
反射 シェル | 解像度: 2.8→2.9 Å / 冗長度: 7.2 % / Rmerge(I) obs: 0.585 / Mean I/σ(I) obs: 1.5 / % possible all: 51.2 |
-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: 2.8→18.26 Å / 交差検証法: THROUGHOUT / σ(F): 0
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原子変位パラメータ | Biso mean: 71.64 Å2
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精密化ステップ | サイクル: LAST / 解像度: 2.8→18.26 Å
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拘束条件 |
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LS精密化 シェル | 解像度: 2.8→2.97 Å / Total num. of bins used: 9
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