Citations
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Study of the incorporation and release of the non-conventional half-sandwich ruthenium(II) metallodrug RAPTA-C on a robust MOF
Elsa Quartapelle Procopio,Sara Rojas,Natalia M. Padial,Simona Galli,Norberto Masciocchi,Fátima Linares,Delia Miguel,J. Enrique Oltra,Jorge A. R. Navarro,Elisa Barea +9 more
TL;DR: The highly porous and robust [Ni(8)(OH)(4)(OH(2))(2)(4,4'-(buta-1,3-diyne- 1,4-diyl)bispyrazolato)(6)](n) MOF can be used as a proof of concept for the incorporation and release of the non-conventional RAPTA-C metallodrug.
Journal ArticleDOI
Defined PEG smears as an alternative approach to enhance the search for crystallization conditions and crystal-quality improvement in reduced screens.
TL;DR: An alternative strategy for PEG sampling is suggested through the use of four newly defined PEG smears to enhance chemical space in reduced screens with a benefit towards protein crystallization.
Journal ArticleDOI
Milli-electronvolt monochromatization of hard X-rays with a sapphire backscattering monochromator.
Ilya Sergueev,Hans-Christian Wille,Raphaël P. Hermann,Raphaël P. Hermann,Dimitrios Bessas,Dimitrios Bessas,Yu. V. Shvyd'ko,M. Zając,M. Zając,Rudolf Rüffer +9 more
TL;DR: Monochromatization of hard X-rays in the 20–40 keV energy range to ∼1 meV bandwidth using a sapphire backscattering monochromator is demonstrated.
Journal ArticleDOI
Solvent behaviour in flash-cooled protein crystals at cryogenic temperatures
Martin Weik,Gitay Kryger,Antoine M. M. Schreurs,Barend Bouma,Israel Silman,Joel L. Sussman,Piet Gros,Jan Kroon +7 more
TL;DR: These studies reveal that flash-cooled protein crystals are arrested in a metastable state up to at least 155 K, thus providing an upper temperature limit for their storage and handling, and suggest an experimental paradigm for studying the correlation between solvent behaviour, protein dynamics and protein function.
Journal ArticleDOI
Crystal structure of human cystatin D, a cysteine peptidase inhibitor with restricted inhibition profile.
TL;DR: The structures reveal differences in the peptidase-interacting regions when compared with other cystatins, providing plausible explanations for the restricted inhibitory specificity of cystatin D for some papain-like peptidases and its lack of reactivity toward legumain-related enzymes.
References
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Journal ArticleDOI
The Protein Data Bank
Helen M. Berman,John D. Westbrook,Zukang Feng,Gary L. Gilliland,Talapady N. Bhat,Helge Weissig,Ilya N. Shindyalov,Philip E. Bourne +7 more
TL;DR: The goals of the PDB are described, the systems in place for data deposition and access, how to obtain further information and plans for the future development of the resource are described.
Journal ArticleDOI
Crystal structure refinement with SHELXL
TL;DR: New features added to the refinement program SHELXL since 2008 are described and explained.
Journal ArticleDOI
Coot: model-building tools for molecular graphics.
Paul Emsley,Kevin Cowtan +1 more
TL;DR: CCP4mg is a project that aims to provide a general-purpose tool for structural biologists, providing tools for X-ray structure solution, structure comparison and analysis, and publication-quality graphics.
Journal ArticleDOI
PHENIX: a comprehensive Python-based system for macromolecular structure solution
Paul D. Adams,Paul D. Adams,Pavel V. Afonine,Gábor Bunkóczi,Vincent B. Chen,Ian W. Davis,Nathaniel Echols,Jeffrey J. Headd,Li-Wei Hung,Gary J. Kapral,Ralf W. Grosse-Kunstleve,Airlie J. McCoy,Nigel W. Moriarty,Robert D. Oeffner,Randy J. Read,David S. Richardson,Jane S. Richardson,Thomas C. Terwilliger,Peter H. Zwart +18 more
TL;DR: The PHENIX software for macromolecular structure determination is described and its uses and benefits are described.
Journal ArticleDOI
Phaser crystallographic software
Airlie J. McCoy,Ralf W. Grosse-Kunstleve,Paul D. Adams,Martyn Winn,Laurent C. Storoni,Randy J. Read +5 more
TL;DR: A description is given of Phaser-2.1: software for phasing macromolecular crystal structures by molecular replacement and single-wavelength anomalous dispersion phasing.