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24 results on '"Flensburg, Claus"'

1. Announcing mandatory submission of PDBx/mmCIF format files for crystallographic depositions to the Protein Data Bank (PDB)

Author

Adams, Paul D, Afonine, Pavel V, Baskaran, Kumaran, Berman, Helen M, Berrisford, John, Bricogne, Gerard, Brown, David G, Burley, Stephen K, Chen, Minyu, Feng, Zukang, Flensburg, Claus, Gutmanas, Aleksandras, Hoch, Jeffrey C, Ikegawa, Yasuyo, Kengaku, Yumiko, Krissinel, Eugene, Kurisu, Genji, Liang, Yuhe, Liebschner, Dorothee, Mak, Lora, Markley, John L, Moriarty, Nigel W, Murshudov, Garib N, Noble, Martin, Peisach, Ezra, Persikova, Irina, Poon, Billy K, Sobolev, Oleg V, Ulrich, Eldon L, Velankar, Sameer, Vonrhein, Clemens, Westbrook, John, Wojdyr, Marcin, Yokochi, Masashi, and Young, Jasmine Y

Subjects
Biochemistry and Cell Biology, Biological Sciences, Crystallography, X-Ray, Database Management Systems, Databases, Protein, Humans, Protein Conformation, Proteins, Software, PDB, mmCIF, OneDep, wwPDB, data dictionary, data archiving, biocuration, validation, macromolecular crystallography, data standards, PDBx, mmCIF format, Protein Data Bank, Worldwide Protein Data Bank, PDBx/mmCIF format
Abstract

This letter announces that PDBx/mmCIF format files will become mandatory for crystallographic depositions to the Protein Data Bank (PDB).

Published
2019

4. MXCuBE2 the dawn of MXCuBE Collaboration

Author

Oscarsson, Marcus, Beteva, Antonia, Flot, David, Gordon, Elspeth, Guijarro, Matias, Leonard, Gordon, McSweeney, Sean, Monaco, Stephanie, Mueller-Dieckmann, Christoph, Nanao, Max, Nurizzo, Didier, Popov, Alexander N., von Stetten, David, Svensson, Olof, Rey-Bakaikoa, Vicente, Chado, Idrissou, Chavas, Leonard M. G., Gadea, Laurent, Gourhant, Patrick, Isabet, Tatiana, Legrand, Pierre, Savko, Martin, Sirigu, Serena, Shepard, William, Thompson, Andrew, Mueller, Uwe, Nan, Jie, Eguiraun, Mikel, Bolmsten, Fredrick, Nardella, Alberto, Milàn-Otero, Antonio, Thunnissen, Marjolein, Hellmig, Michael, Kastner, Alexandra, Schmuckermaier, Lukas, Gerlach, Martin, Feiler, Christian, Weiss, Manfred S., Bowler, Matthew W., Gobbo, Alexandre, Papp, Gergely, Sinoir, Jeremy, McCarthy, Andrew A., Karpics, Ivars, Nikolova, Marina, Bourenkov, Gleb, Schneider, Thomas, Andreu, Jordi, Cuní, Guifré, Juanhuix, Judith, Boer, Roeland, Fogh, Rasmus, Keller, Peter, Flensburg, Claus, Paciorek, Wlodek, Vonrhein, Clemens, Bricogne, Gerard, and De Sanctis, Daniele

Subjects
synchrotron beamline control software, macromolecular crystallography, graphical user interface, ddc:550, Inhouse research on structure dynamics and function of matter, Research Papers, MXCuBE, software collaboration
Abstract

Journal of synchrotron radiation 26(2), 393 - 405 (2019). doi:10.1107/S1600577519001267, MXCuBE2 is the second-generation evolution of the MXCuBE beamline control software, initially developed and used at ESRF – the European Synchrotron. MXCuBE2 extends, in an intuitive graphical user interface (GUI), the functionalities and data collection methods available to users while keeping all previously available features and allowing for the straightforward incorporation of ongoing and future developments. MXCuBE2 introduces an extended abstraction layer that allows easy interfacing of any kind of macromolecular crystallography (MX) hardware component, whether this is a diffractometer, sample changer, detector or optical element. MXCuBE2 also works in strong synergy with the ISPyB Laboratory Information Management System, accessing the list of samples available for a particular experimental session and associating, either from instructions contained in ISPyB or from user input via the MXCuBE2 GUI, different data collection types to them. The development of MXCuBE2 forms the core of a fruitful collaboration which brings together several European synchrotrons and a software development factory and, as such, defines a new paradigm for the development of beamline control platforms for the European MX user community., Published by Wiley-Blackwell, [S.l.]

Published
2019
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6. Announcing mandatory submission of PDBx/mmCIF format files for crystallographic depositions to the Protein Data Bank (PDB).

Author

Afonine, Pavel, Afonine, Pavel, Baskaran, Kumaran, Berman, Helen, Berrisford, John, Bricogne, Gerard, Brown, David, Burley, Stephen, Chen, Minyu, Feng, Zukang, Flensburg, Claus, Gutmanas, Aleksandras, Hoch, Jeffrey, Ikegawa, Yasuyo, Kengaku, Yumiko, Krissinel, Eugene, Kurisu, Genji, Liang, Yuhe, Ulrich, Eldon, Velankar, Sameer, Vonrhein, Clemens, Westbrook, John, Wojdyr, Marcin, Yokochi, Masashi, Young, Jasmine, Murshudov, Garib, Noble, Martin, Peisach, Ezra, Persikova, Irina, Mak, Lora, Markley, John, Moriarty, Nigel, Poon, Billy, Sobolev, Oleg, Liebschner, Dorothee, Adams, Paul, Afonine, Pavel, Afonine, Pavel, Baskaran, Kumaran, Berman, Helen, Berrisford, John, Bricogne, Gerard, Brown, David, Burley, Stephen, Chen, Minyu, Feng, Zukang, Flensburg, Claus, Gutmanas, Aleksandras, Hoch, Jeffrey, Ikegawa, Yasuyo, Kengaku, Yumiko, Krissinel, Eugene, Kurisu, Genji, Liang, Yuhe, Ulrich, Eldon, Velankar, Sameer, Vonrhein, Clemens, Westbrook, John, Wojdyr, Marcin, Yokochi, Masashi, Young, Jasmine, Murshudov, Garib, Noble, Martin, Peisach, Ezra, Persikova, Irina, Mak, Lora, Markley, John, Moriarty, Nigel, Poon, Billy, Sobolev, Oleg, Liebschner, Dorothee, and Adams, Paul

Abstract

This letter announces that PDBx/mmCIF format files will become mandatory for crystallographic depositions to the Protein Data Bank (PDB).

Published
2019

8. Achieving higher performance in high-throughput compound and fragment screening campaigns by the use of 'Club Class' data collection with Pipedream and CRIMS

Author

Bricogne, Gérard, primary, Carter, Leigh, additional, Flensburg, Claus, additional, Fogh, Rasmus, additional, Keller, Peter, additional, Paciorek, Wlodek, additional, Sharff, Andrew, additional, Vonrhein, Clemens, additional, Cornaciu, Irina, additional, Jamroz, Michal, additional, Marquez, Jose A., additional, Lehmann, Martin, additional, and Musil, Djordje, additional

Published
2018
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11. Functional and structural characterization of a thermostable acetyl esterase from Thermotoga maritima

Author

Levisson, Mark, primary, Han, Gye Won, additional, Deller, Marc C., additional, Xu, Qingping, additional, Biely, Peter, additional, Hendriks, Sjon, additional, Ten Eyck, Lynn F., additional, Flensburg, Claus, additional, Roversi, Pietro, additional, Miller, Mitchell D., additional, McMullan, Daniel, additional, von Delft, Frank, additional, Kreusch, Andreas, additional, Deacon, Ashley M., additional, van der Oost, John, additional, Lesley, Scott A., additional, Elsliger, Marc-André, additional, Kengen, Servé W. M., additional, and Wilson, Ian A., additional

Published
2012
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19. Properties of the experimental crystal charge density of methylammonium hydrogen maleate. A salt with a very short intramolecular O-H-O hydrogen bond

Author

Madsen, Dennis, Flensburg, Claus, and Larsen, Sine

Subjects
Hydrogen bonding -- Research, Chemicals, plastics and rubber industries
Abstract

A study is conducted on the experimental crystal charge density of deuterated methylammonium hydrogen maleate using neutron diffraction and high-resolution x-ray diffraction. Results show that the charge density constitutes a topological space which satisfies the Poincare-Hopf relation. Topological analysis also shows that the very short intramolecular O-H-O hydrogen bonds in the hydrogen maleate ions have covalent character.

Published
1998

21. Preparation, Isolation and Characterization of fac-[Ir(tacn)(H2O)3](CF3SO3)3, fac-[Ir(tacn)(CF3SO3)3] and [Ir(tacn)2]Cl3.½HCl.4H2O. Crystal Structure of [Ir(tacn)2]Cl3.½HCl.4H2O (tacn = 1,4,7-Triazacyclononane).

Author

Flensburg, Claus, primary, Simonsen, Kim, additional, Skov, Lars Kobberøe, additional, Weidlein, Johann, additional, Schnöckel, Hansgeorg, additional, Paulsen, Gudrun B., additional, Nielsen, Ruby I., additional, Olsen, Carl E., additional, Pedersen, Christian, additional, and Stidsen, Carsten E., additional

Published
1994
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23. Solving the structure of the bubble protein using the anomalous sulfur signal from single-crystal in-house Cu Κα diffraction data only.

Author

Olsen, Johan Gotthardt, Flensburg, Claus, Olsen, Ole, Bricogne, Gerard, and Henriksen, Anette

Subjects
*PROTEINS, *SULFUR, *COPPER, *OPTICAL diffraction, *CRYSTALS, *CRYSTALLOGRAPHY
Abstract

Describes solving the structure of the bubble protein using the anomalous sulfur signal from single-crystal in-house copper kappa-alpha diffraction data only. 64-residue amino acid sequence determined from the electron density; Effect of aligning the charge distribution on superimposing the potential recognition sites of the two proteins suggesting a similar negatively charged target.

Published
2004
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24. Tryptophan-derived peptides. 1: Crystal structure and solution conformation of Boc-Gly-Trp-Ala-OtBu

Author

Anthoni, Uffe, Christophersen, Carsten, Flensburg, Claus, Jakobsen, Mogens, Jensen, Jan, and Nielsen, Per

Abstract

The solid-state structure of Boc-Gly-Trp-Ala-OBut was determined by single-crystal X-ray diffraction analysis. The tripeptide gave crystals belonging to the orthorhombic systemP212121 and at 122.0(5) K:a=11.0663(12),b=14.107(2),c=17.275(2) Å,V=2697.0(5) Å3Z=4,R(F)=0.0259, andRw(F)=0.0695. The peptide adopts a type-Iβ-turn in the solid state with a single, rather weak, intramolecular hydrogen bond between the Boc-CO and Ala-NH groups (N⋯O 3.082(1) Å, t peptide has also been studied by1H NMR spectroscopy. The solvent and temperature dependencies of NH chemical shifts suggests that this hydrogen bond is broken and that all amide protons are solvent exposed in CDCl3 and (CD3)2SO.

Published
1996
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