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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: 4aq3 | ||||||
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タイトル | HUMAN BCL-2 WITH PHENYLACYLSULFONAMIDE INHIBITOR | ||||||
![]() | APOPTOSIS REGULATOR BCL-2, BCL-2-LIKE PROTEIN 1 | ||||||
![]() | APOPTOSIS / CHIMERA | ||||||
機能・相同性 | ![]() negative regulation of cellular pH reduction / negative regulation of retinal cell programmed cell death / pigment granule organization / CD8-positive, alpha-beta T cell lineage commitment / BAD-BCL-2 complex / positive regulation of skeletal muscle fiber development / regulation of glycoprotein biosynthetic process / positive regulation of melanocyte differentiation / channel inhibitor activity / melanin metabolic process ...negative regulation of cellular pH reduction / negative regulation of retinal cell programmed cell death / pigment granule organization / CD8-positive, alpha-beta T cell lineage commitment / BAD-BCL-2 complex / positive regulation of skeletal muscle fiber development / regulation of glycoprotein biosynthetic process / positive regulation of melanocyte differentiation / channel inhibitor activity / melanin metabolic process / positive regulation of neuron maturation / myeloid cell apoptotic process / cochlear nucleus development / osteoblast proliferation / mesenchymal cell development / retinal cell programmed cell death / negative regulation of osteoblast proliferation / stem cell development / gland morphogenesis / apoptotic process in bone marrow cell / renal system process / regulation of cell-matrix adhesion / The NLRP1 inflammasome / dendritic cell apoptotic process / ear development / negative regulation of calcium ion transport into cytosol / SARS-CoV-1-mediated effects on programmed cell death / dendritic cell proliferation / lymphoid progenitor cell differentiation / positive regulation of mononuclear cell proliferation / melanocyte differentiation / T cell apoptotic process / negative regulation of myeloid cell apoptotic process / negative regulation of epithelial cell apoptotic process / BH3-only proteins associate with and inactivate anti-apoptotic BCL-2 members / negative regulation of dendritic cell apoptotic process / glomerulus development / regulation of nitrogen utilization / negative regulation of intrinsic apoptotic signaling pathway in response to DNA damage / oocyte development / focal adhesion assembly / negative regulation of T cell apoptotic process / B cell apoptotic process / metanephros development / positive regulation of multicellular organism growth / neuron maturation / Regulation of MITF-M-dependent genes involved in apoptosis / negative regulation of motor neuron apoptotic process / negative regulation of mitochondrial outer membrane permeabilization involved in apoptotic signaling pathway / regulation of viral genome replication / negative regulation of execution phase of apoptosis / endoplasmic reticulum calcium ion homeostasis / regulation of mitochondrial membrane permeability / fertilization / regulation of growth / response to UV-B / calcium ion transport into cytosol / negative regulation of ossification / response to iron ion / axon regeneration / epithelial cell apoptotic process / motor neuron apoptotic process / Bcl-2 family protein complex / negative regulation of mitochondrial depolarization / positive regulation of smooth muscle cell migration / smooth muscle cell migration / NFE2L2 regulating tumorigenic genes / intrinsic apoptotic signaling pathway in response to oxidative stress / negative regulation of B cell apoptotic process / organ growth / hair follicle morphogenesis / branching involved in ureteric bud morphogenesis / cellular response to alkaloid / response to cycloheximide / STAT5 activation downstream of FLT3 ITD mutants / negative regulation of intrinsic apoptotic signaling pathway in response to DNA damage by p53 class mediator / digestive tract morphogenesis / negative regulation of G1/S transition of mitotic cell cycle / hepatocyte apoptotic process / B cell lineage commitment / pore complex / negative regulation of release of cytochrome c from mitochondria / negative regulation of reproductive process / negative regulation of developmental process / negative regulation of intrinsic apoptotic signaling pathway / apoptotic mitochondrial changes / germ cell development / T cell homeostasis / BH3 domain binding / regulation of transmembrane transporter activity / regulation of calcium ion transport / B cell homeostasis / B cell proliferation / humoral immune response / negative regulation of apoptotic signaling pathway / negative regulation of anoikis / extrinsic apoptotic signaling pathway via death domain receptors / intrinsic apoptotic signaling pathway in response to endoplasmic reticulum stress / Estrogen-dependent nuclear events downstream of ESR-membrane signaling / Activation of BAD and translocation to mitochondria 類似検索 - 分子機能 | ||||||
生物種 | ![]() | ||||||
手法 | ![]() ![]() ![]() | ||||||
![]() | Bertrand, J.A. / Fasolini, M. / Modugno, M. | ||||||
![]() | ![]() タイトル: Identification of a Phenylacylsulfonamide Series of Dual Bcl-2/Bcl-Xl Antagonists. 著者: Perez, H.L. / Banfi, P. / Bertrand, J.A. / Cai, Z.W. / Grebinski, J.W. / Kim, K. / Lippy, J. / Modugno, M. / Naglich, J. / Schmidt, R.J. / Tebben, A. / Vianello, P. / Wei, D.D. / Zhang, L. / ...著者: Perez, H.L. / Banfi, P. / Bertrand, J.A. / Cai, Z.W. / Grebinski, J.W. / Kim, K. / Lippy, J. / Modugno, M. / Naglich, J. / Schmidt, R.J. / Tebben, A. / Vianello, P. / Wei, D.D. / Zhang, L. / Galvani, A. / Lombardo, L.J. / Borzilleri, R.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 | ![]() | 354 KB | 表示 | ![]() |
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PDB形式 | ![]() | 292.4 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 | ![]() | 2.1 MB | 表示 | ![]() |
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文書・詳細版 | ![]() | 2.1 MB | 表示 | |
XML形式データ | ![]() | 35.6 KB | 表示 | |
CIF形式データ | ![]() | 44.2 KB | 表示 | |
アーカイブディレクトリ | ![]() ![]() | HTTPS FTP |
-関連構造データ
関連構造データ | |
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類似構造データ |
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リンク
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集合体
登録構造単位 | ![]()
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単位格子 |
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非結晶学的対称性 (NCS) | NCSドメイン:
NCSドメイン領域: Ens-ID: 1 / Refine code: 4
NCS oper:
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要素
#1: タンパク質 | 分子量: 19509.666 Da / 分子数: 6 断片: RESIDUES 1-33 AND 92-207 OF P10415 AND RESIDUES 29-44 OF Q07817 由来タイプ: 組換発現 詳細: APOPTOSIS REGULATOR BCL-2 WITH PUTATIVE FLEXIBLE LOOP REPLACED WITH A PORTION OF APOPTOSIS REGULATOR BCL-X PROTEIN 由来: (組換発現) ![]() ![]() ![]() #2: 化合物 | ChemComp-398 / |
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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: 2.3 Å3/Da / 溶媒含有率: 47 % / 解説: NONE |
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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: ![]() ![]() ![]() |
検出器 | タイプ: ADSC QUANTUM 315 / 検出器: CCD / 日付: 2010年2月17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: 1.072 Å / 相対比: 1 |
反射 | 解像度: 2.4→40 Å / Num. obs: 58071 / % possible obs: 97.8 % / Observed criterion σ(I): 0 / 冗長度: 3.4 % / Rmerge(I) obs: 0.08 / Net I/σ(I): 14.2 |
反射 シェル | 解像度: 2.4→2.49 Å / 冗長度: 2.7 % / Rmerge(I) obs: 0.58 / Mean I/σ(I) obs: 1.8 / % possible all: 88.7 |
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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: INTERNAL STRUCTURE 解像度: 2.4→100 Å / Cor.coef. Fo:Fc: 0.948 / Cor.coef. Fo:Fc free: 0.925 / SU B: 12.963 / SU ML: 0.161 / 交差検証法: THROUGHOUT / ESU R: 0.255 / ESU R Free: 0.216 / 立体化学のターゲット値: MAXIMUM LIKELIHOOD / 詳細: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS.
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溶媒の処理 | イオンプローブ半径: 0.8 Å / 減衰半径: 0.8 Å / VDWプローブ半径: 1.2 Å / 溶媒モデル: MASK | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
原子変位パラメータ | Biso mean: 57.235 Å2
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精密化ステップ | サイクル: LAST / 解像度: 2.4→100 Å
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拘束条件 |
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