ジャーナル: Acta Crystallogr D Struct Biol / 年: 2019 タイトル: Macromolecular structure determination using X-rays, neutrons and electrons: recent developments in Phenix. 著者: Dorothee Liebschner / Pavel V Afonine / Matthew L Baker / Gábor Bunkóczi / Vincent B Chen / Tristan I Croll / Bradley Hintze / Li Wei Hung / Swati Jain / Airlie J McCoy / Nigel W Moriarty / ...著者: Dorothee Liebschner / Pavel V Afonine / Matthew L Baker / Gábor Bunkóczi / Vincent B Chen / Tristan I Croll / Bradley Hintze / Li Wei Hung / Swati Jain / Airlie J McCoy / Nigel W Moriarty / Robert D Oeffner / Billy K Poon / Michael G Prisant / Randy J Read / Jane S Richardson / David C Richardson / Massimo D Sammito / Oleg V Sobolev / Duncan H Stockwell / Thomas C Terwilliger / Alexandre G Urzhumtsev / Lizbeth L Videau / Christopher J Williams / Paul D Adams / 要旨: Diffraction (X-ray, neutron and electron) and electron cryo-microscopy are powerful methods to determine three-dimensional macromolecular structures, which are required to understand biological ...Diffraction (X-ray, neutron and electron) and electron cryo-microscopy are powerful methods to determine three-dimensional macromolecular structures, which are required to understand biological processes and to develop new therapeutics against diseases. The overall structure-solution workflow is similar for these techniques, but nuances exist because the properties of the reduced experimental data are different. Software tools for structure determination should therefore be tailored for each method. Phenix is a comprehensive software package for macromolecular structure determination that handles data from any of these techniques. Tasks performed with Phenix include data-quality assessment, map improvement, model building, the validation/rebuilding/refinement cycle and deposition. Each tool caters to the type of experimental data. The design of Phenix emphasizes the automation of procedures, where possible, to minimize repetitive and time-consuming manual tasks, while default parameters are chosen to encourage best practice. A graphical user interface provides access to many command-line features of Phenix and streamlines the transition between programs, project tracking and re-running of previous tasks.
全体 : Human adult muscle nAChR in resting state in nanodisc with alpha-...
全体
名称: Human adult muscle nAChR in resting state in nanodisc with alpha-bungarotoxin
要素
複合体: Human adult muscle nAChR in resting state in nanodisc with alpha-bungarotoxin
タンパク質・ペプチド: Acetylcholine receptor subunit alpha
タンパク質・ペプチド: Acetylcholine receptor subunit beta
タンパク質・ペプチド: Fab35 light chain
タンパク質・ペプチド: Acetylcholine receptor subunit delta
タンパク質・ペプチド: Acetylcholine receptor subunit epsilon,Green fluorescent protein
タンパク質・ペプチド: Fab35 heavy chain
タンパク質・ペプチド: Alpha-bungarotoxin
リガンド: 2-acetamido-2-deoxy-beta-D-glucopyranose
リガンド: COPPER (II) ION
リガンド: water
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超分子 #1: Human adult muscle nAChR in resting state in nanodisc with alpha-...
超分子
名称: Human adult muscle nAChR in resting state in nanodisc with alpha-bungarotoxin タイプ: complex / ID: 1 / 親要素: 0 / 含まれる分子: #1-#7 詳細: nAChR in complex with alpha-bungarotoxin and Fab35 in MSP2N2-POPC nanodisc