+データを開く
-基本情報
登録情報 | データベース: PDB / ID: 3ig7 | ||||||
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タイトル | Novel CDK-5 inhibitors - crystal structure of inhibitor EFP with CDK-2 | ||||||
要素 | Cell division protein kinase 2細胞分裂 | ||||||
キーワード | TRANSFERASE (転移酵素) / PROTEIN KINASE (プロテインキナーゼ) / SERINE/THREONINE PROTEIN KINASE / ATP-BINDING / CELL CYCLE (細胞周期) / CELL DIVISION (細胞分裂) / MITOSIS (有糸分裂) / 4-AMINOIMIDAZOLE / Kinase (キナーゼ) / Nucleotide-binding / Phosphoprotein / Polymorphism / Serine/threonine-protein kinase | ||||||
機能・相同性 | 機能・相同性情報 cyclin A1-CDK2 complex / cyclin E2-CDK2 complex / cyclin E1-CDK2 complex / cyclin A2-CDK2 complex / positive regulation of DNA-templated DNA replication initiation / G2期 / cyclin-dependent protein kinase activity / Y染色体 / Phosphorylation of proteins involved in G1/S transition by active Cyclin E:Cdk2 complexes / positive regulation of heterochromatin formation ...cyclin A1-CDK2 complex / cyclin E2-CDK2 complex / cyclin E1-CDK2 complex / cyclin A2-CDK2 complex / positive regulation of DNA-templated DNA replication initiation / G2期 / cyclin-dependent protein kinase activity / Y染色体 / Phosphorylation of proteins involved in G1/S transition by active Cyclin E:Cdk2 complexes / positive regulation of heterochromatin formation / p53-Dependent G1 DNA Damage Response / X染色体 / PTK6 Regulates Cell Cycle / regulation of anaphase-promoting complex-dependent catabolic process / Defective binding of RB1 mutants to E2F1,(E2F2, E2F3) / centriole replication / Regulation of APC/C activators between G1/S and early anaphase / centrosome duplication / Telomere Extension By Telomerase / G0 and Early G1 / Activation of the pre-replicative complex / cyclin-dependent protein kinase holoenzyme complex / cellular response to nitric oxide / サイクリン依存性キナーゼ / カハール体 / cyclin-dependent protein serine/threonine kinase activity / TP53 Regulates Transcription of Genes Involved in G1 Cell Cycle Arrest / Activation of ATR in response to replication stress / Cyclin E associated events during G1/S transition / Cyclin A/B1/B2 associated events during G2/M transition / Cyclin A:Cdk2-associated events at S phase entry / condensed chromosome / mitotic G1 DNA damage checkpoint signaling / regulation of mitotic cell cycle / regulation of G2/M transition of mitotic cell cycle / cyclin binding / post-translational protein modification / meiotic cell cycle / positive regulation of DNA replication / response to organic substance / male germ cell nucleus / G1/S transition of mitotic cell cycle / potassium ion transport / DNA Damage/Telomere Stress Induced Senescence / CDK-mediated phosphorylation and removal of Cdc6 / SCF(Skp2)-mediated degradation of p27/p21 / 遺伝的組換え / Orc1 removal from chromatin / Transcriptional regulation of granulopoiesis / Cyclin D associated events in G1 / G2/M transition of mitotic cell cycle / 細胞老化 / Regulation of TP53 Degradation / 核膜 / Factors involved in megakaryocyte development and platelet production / Processing of DNA double-strand break ends / Senescence-Associated Secretory Phenotype (SASP) / 遺伝子発現の調節 / peptidyl-serine phosphorylation / Ras protein signal transduction / Regulation of TP53 Activity through Phosphorylation / transcription regulator complex / DNA複製 / chromosome, telomeric region / エンドソーム / クロマチンリモデリング / 細胞分裂 / protein domain specific binding / protein phosphorylation / protein serine kinase activity / DNA修復 / protein serine/threonine kinase activity / 中心体 / DNA-templated transcription / positive regulation of cell population proliferation / positive regulation of DNA-templated transcription / magnesium ion binding / negative regulation of transcription by RNA polymerase II / シグナル伝達 / 核質 / ATP binding / 細胞核 / 細胞質基質 / 細胞質 類似検索 - 分子機能 | ||||||
生物種 | Homo sapiens (ヒト) | ||||||
手法 | X線回折 / フーリエ合成 / 解像度: 1.8 Å | ||||||
データ登録者 | Pandit, J. | ||||||
引用 | ジャーナル: Bioorg.Med.Chem.Lett. / 年: 2009 タイトル: Potent and cellularly active 4-aminoimidazole inhibitors of cyclin-dependent kinase 5/p25 for the treatment of Alzheimer's disease. 著者: Helal, C.J. / Kang, Z. / Lucas, J.C. / Gant, T. / Ahlijanian, M.K. / Schachter, J.B. / Richter, K.E. / Cook, J.M. / Menniti, F.S. / Kelly, K. / Mente, S. / Pandit, J. / Hosea, N. | ||||||
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 | 3ig7.cif.gz | 66.2 KB | 表示 | PDBx/mmCIF形式 |
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PDB形式 | pdb3ig7.ent.gz | 52.3 KB | 表示 | PDB形式 |
PDBx/mmJSON形式 | 3ig7.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/ig/3ig7 ftp://data.pdbj.org/pub/pdb/validation_reports/ig/3ig7 | 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: 34002.527 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: CDK2 発現宿主: Spodoptera frugiperda (ツマジロクサヨトウ) 参照: UniProt: P24941, サイクリン依存性キナーゼ |
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#2: 化合物 | ChemComp-EFP / |
#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 Å3/Da / 溶媒含有率: 38.53 % |
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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: 回転陽極 / タイプ: RIGAKU RUH2R / 波長: 1.5418 Å |
検出器 | タイプ: RIGAKU RAXIS II / 検出器: IMAGE PLATE |
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: 1.8→50 Å / Num. all: 25951 / Num. obs: 25483 / % possible obs: 98.2 % / Observed criterion σ(I): -2 / 冗長度: 3.3 % / Rmerge(I) obs: 0.063 / Rsym value: 0.063 / Net I/σ(I): 17.05 |
反射 シェル | 解像度: 1.8→1.86 Å / Rmerge(I) obs: 0.697 / Mean I/σ(I) obs: 1.66 / Num. unique all: 2478 / % possible all: 97.4 |
-解析
ソフトウェア |
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精密化 | 構造決定の手法: フーリエ合成 / 解像度: 1.8→36.67 Å / Occupancy max: 1 / Occupancy min: 1 / σ(F): 0
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原子変位パラメータ | Biso max: 99.23 Å2 / Biso mean: 33.199 Å2 / Biso min: 12.29 Å2 | |||||||||||||||
精密化ステップ | サイクル: LAST / 解像度: 1.8→36.67 Å
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