Structural basis for ineffective T-cell responses to MHC anchor residue-improved “heteroclitic” peptides Florian Madura, Pierre Rizkallah, Christopher J. Holland, Anna Fuller, Anna Bulek, Andrew J Godkin, Andrea J. Schauenburg, David K. Cole, Andrew K. Sewell
European Journal Of Immunology, Dec 2014 DOI: 10.1002/eji.201445114 Journal Paper I24-Microfocus Macromolecular Crystallography open access Crystallographic studies evidencing the high energy tolerance to disrupting the interface disulfide bond of thioredoxin 1 from white leg shrimp Litopenaeus vannamei Adam Campos-Acevedo, Enrique Rudiño-Piñera
Molecules, 19 (12) Dec 2014 DOI: 10.3390/molecules191221113 Journal Paper I24-Microfocus Macromolecular Crystallography open access Crystal structure of the human, FIC-domain containing protein HYPE and implications for its functions Tom D. Bunney, Ambrose R. Cole, Malgorzata Broncel, Diego Esposito, Edward W. Tate, Matilda Katan
Structure, 22 (12) Dec 2014 DOI: 10.1016/j.str.2014.10.007 Journal Paper I03-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access Discovery of selective small-molecule activators of a bacterial glycoside hydrolase John Darby, Jens Landstrom, Christian Roth, Yuan He, Gideon J. Davies, Roderick E. Hubbard
Angewandte Chemie International Edition, 53 (49) Dec 2014 DOI: 10.1002/anie.201407081 Journal Paper I24-Microfocus Macromolecular Crystallography open access Structure of the V. cholerae Na+-pumping NADH:quinone oxidoreductase Julia Steuber, Georg Vohl, Marco S. Casutt, Thomas Vorburger, Kay Diederichs, Guenter Fritz
Nature, 516 (7529) Dec 2014 DOI: 10.1038/nature14003 Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography 5-Formylcytosine alters the structure of the DNA double helix Eun-Ang Raiber, Pierre Murat, Dima Chirgadze, Dario Beraldi, Ben Luisi, Shankar Balasubramanian
Nature Structural & Molecular Biology, 22 (1) Dec 2014 DOI: 10.1038/nsmb.2936 Characterisation of the morphological and surface properties of organic micro-crystalline particles Siti Nurul’ain Yusop
Dec 2014 Thesis I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography
Exploiting whole-PDB analysis in novel bioinformatics applications Varun Ramraj
Dec 2014 Thesis I24-Microfocus Macromolecular Crystallography open access
Recognition of the small regulatory RNA RydC by the bacterial Hfq protein Daniela Dimastrogiovanni, Kathrin S. Fröhlich, Katarzyna J. Bandyra, Heather A. Bruce, Susann Hohensee, Jörg Vogel, Ben F. Luisi
Elife, 3 Dec 2014 DOI: 10.7554/eLife.05375 Journal Paper I24-Microfocus Macromolecular Crystallography open access Calcium-induced conformational changes of the regulatory domain of human mitochondrial aspartate/glutamate carriers Chancievan Thangaratnarajah, Jonathan Ruprecht, Edmund Kunji
Nature Communications, 5 Nov 2014 DOI: 10.1038/ncomms6491 Journal Paper I03-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access Closing the cohesin ring: Structure and function of its Smc3-kleisin interface T. G. Gligoris, J. Scheinost, F. Burmann, N. Petela, K.-L. Chan, P. Uluocak, F. Beckouet, S. Gruber, K. Nasmyth, J. Lowe
Science, 346 (6212) Nov 2014 DOI: 10.1126/science.1256917 Journal Paper I02-Macromolecular Crystallography I03-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography Crystal structure of the sodium-proton antiporter NhaA dimer and new mechanistic insights C. Lee, S. Yashiro, D. L. Dotson, P. Uzdavinys, S. Iwata, M. S. P. Sansom, C. Von Ballmoos, O. Beckstein, D. Drew, A. D. Cameron
The Journal Of General Physiology, 144 (6) Nov 2014 DOI: 10.1085/jgp.201411219 Journal Paper I03-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access Exploring nicotinamide cofactor promiscuity in NAD(P)H-dependent flavin containing monooxygenases (FMOs) using natural variation within the phosphate binding loop. Structure and activity of FMOs from Cellvibrio sp. BR and Pseudomonas stutzeri NF13 Chantel N. Jensen, Sohail T. Ali, Michael J. Allen, Gideon Grogan
Journal Of Molecular Catalysis B: Enzymatic, 109 Nov 2014 DOI: 10.1016/j.molcatb.2014.08.019 Journal Paper I24-Microfocus Macromolecular Crystallography open access Molecular recognition of RhlB and RNase D in the Caulobacter crescentus RNA degradosome Jarrod E. Voss, Ben F. Luisi, Steven W. Hardwick
Nucleic Acids Research, 42 (21) Nov 2014 DOI: 10.1093/nar/gku1134 Journal Paper I24-Microfocus Macromolecular Crystallography open access Untangling the mysteries of curli fibres Diamond Light Source
Nov 2014 Science Highlight I02-Macromolecular Crystallography I03-Macromolecular Crystallography I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography
FLRT structure: balancing repulsion and cell adhesion in cortical and vascular development Elena Seiradake, Daniel Del toro, Daniel Nagel, Florian Cop, Ricarda Härtl, Tobias Ruff, Gönül Seyit-Bremer, Karl Harlos, Ellen clare Border, Amparo Acker-Palmer, E. Yvonne Jones, Rüdiger Klein
Neuron, 84 (2) Oct 2014 DOI: 10.1016/j.neuron.2014.10.008 Journal Paper I03-Macromolecular Crystallography I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access A novel small-molecule MRCK inhibitor blocks cancer cell invasion Mathieu Unbekandt, Daniel R. Croft, Diane Crighton, Mokdad Mezna, Duncan Mcarthur, Patricia Mcconnell, Alexander W. Schüttelkopf, Simone Belshaw, Andrew Pannifer, Mairi Sime, Justin Bower, Martin Drysdale, Michael F. Olson
Cell Communication And Signaling, 12 Oct 2014 DOI: 10.1186/s12964-014-0054-x Journal Paper I24-Microfocus Macromolecular Crystallography open access Time-resolved crystallography using the Hadamard transform Briony Yorke, Robin Owen, Godfrey Beddard, Arwen Pearson
Nature Methods, Oct 2014 DOI: 10.1038/nmeth.3139 Hepatitis A virus and the origins of picornaviruses Xiangxi Wang, Jingshan Ren, Qiang Gao, Zhongyu Hu, Yao Sun, Xuemei Li, David J. Rowlands, Weidong Yin, Junzhi Wang, David I. Stuart, Zihe Rao, Elizabeth E. Fry
Nature, 517 (7532) Oct 2014 DOI: 10.1038/nature13806 Journal Paper I03-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography Cloning, expression, purification, crystallization and preliminary X-ray diffraction of a lysine-specific permease from Pseudomonas aeruginosa Emmanuel Nji, Dianfan Li, Declan Doyle, Martin Caffrey
Acta Crystallographica Section F Structural Biology Communications, 70 Oct 2014 DOI: 10.1107/S2053230X14017865 New methods for indexing multi-lattice diffraction data Richard Gildea, David G. Waterman, James Parkhurst, Danny Axford, Geoff Sutton, David I. Stuart, Nicholas K. Sauter, Gwyndaf Evans, Graeme Winter
Acta Crystallographica Section D Biological Crystallography, 70 Oct 2014 DOI: 10.1107/S1399004714017039 Journal Paper I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access Host cofactors and pharmacologic ligands share an essential interface in HIV-1 capsid that is lost upon disassembly Amanda J. Price, David Jacques, William A. Mcewan, Adam J. Fletcher, Sebastian Essig, Jason W. Chin, Upul D. Halambage, Christopher Aiken, Leo C. James
Plos Pathogens, 10 (10) Oct 2014 DOI: 10.1371/journal.ppat.1004459 Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength) I24-Microfocus Macromolecular Crystallography open access A mechanism for intracellular release of Na+ by neurotransmitter/sodium symporters Lina Malinauskaite, Matthias Quick, Linda Reinhard, Joseph A Lyons, Hideaki Yano, Jonathan A Javitch, Poul Nissen
Nature Structural & Molecular Biology, 21 (11) Oct 2014 DOI: 10.1038/nsmb.2894 High thermodynamic stability of parametrically designed helical bundles P.-S. Huang, G. Oberdorfer, C. Xu, X. Y. Pei, B. L. Nannenga, J. M. Rogers, F. Dimaio, T. Gonen, B. Luisi, D. Baker
Science, 346 (6208) Oct 2014 DOI: 10.1126/science.1257481 How a β-D-glucoside side chain enhances binding affinity to thrombin of inhibitors bearing 2-chlorothiophene as P1 moiety: crystallography, fragment deconstruction study, and evaluation of antithrombotic properties Benny D. Belviso, Rocco Caliandro, Modesto De Candia, Giorgia Zaetta, Gianfranco Lopopolo, Francesca Incampo, Mario Colucci, Cosimo D. Altomare
Journal Of Medicinal Chemistry, 57 (20) Oct 2014 DOI: 10.1021/jm5010754 I24 endstation upgrade - overview and engineering design Vinay Grama, Danny Axford, Robin Owen
Oct 2014 Conference Paper I24-Microfocus Macromolecular Crystallography open access
Structure and interactions of the Bacillus subtilis sporulation inhibitor of DNA replication, SirA, with domain I of DnaA Katie H. Jameson, Nadia Rostami, Mark J. Fogg, Johan P. Turkenburg, Anne Grahl, Heath Murray, Anthony J. Wilkinson
Molecular Microbiology, 93 (5) Sept 2014 DOI: 10.1111/mmi.12713 Journal Paper I03-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access Unexpected structure for the N-terminal domain of hepatitis C virus envelope glycoprotein E1 Kamel El Omari, Oleg Iourin, Jan Kadlec, Geoff Sutton, Karl Harlos, Jonathan M. Grimes, David I. Stuart
Nature Communications, 5 Sept 2014 DOI: 10.1038/ncomms5874 Journal Paper I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access Space-group and origin ambiguity in macromolecular structures with pseudo-symmetry and its treatment with the program Zanuda Andrey A. Lebedev, Misha N. Isupov
Acta Crystallographica Section D Biological Crystallography, 70 Sept 2014 DOI: 10.1107/S1399004714014795 Structural and mechanistic insights into the bacterial amyloid secretion channel CsgG Parveen Goyal, Petya V. Krasteva, Nani Van Gerven, Francesca Gubellini, Imke Van Den Broeck, Anastassia Troupiotis-Tsaïlaki, Wim Jonckheere, Gérard Péhau-Arnaudet, Jerome S. Pinkner, Matthew R. Chapman, Scott J. Hultgren, Stefan Howorka, Remi Fronzes, Han Remaut
Nature, Sept 2014 DOI: 10.1038/nature13768 Journal Paper I02-Macromolecular Crystallography I03-Macromolecular Crystallography I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography Crystal structures and functional studies clarify substrate selectivity and catalytic residues for the unique orphan enzyme N-acetyl-D-mannosamine dehydrogenase Agustan Sola-Carvajal, Fernando Gilâ-Ortiz, Francisco Garcã-Carmona, Vicente Rubio, Alvaro Sanchez-Ferrer
Biochemical Journal, 462 Sept 2014 DOI: 10.1042/BJ20140266 The molecular mechanism of Shiga toxin Stx2e neutralization by a single-domain antibody targeting the cell receptor-binding domain Alvin Wei Han Lo, Kristof Moonens, Maia De Kerpel, Lea Brys, Els Pardon, Han Remaut, Henry. De Greve
Journal Of Biological Chemistry, 289 (36) Sept 2014 DOI: 10.1074/jbc.M114.566257 Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength) I24-Microfocus Macromolecular Crystallography open access Structural insight into host recognition by aggregative adherence fimbriae of enteroaggregative Escherichia coli Andrea A. Berry, Yi Yang, Natalia Pakharukova, James Garnett, Wei-Chao Lee, Ernesto Cota, Jan Marchant, Saumendra Roy, Minna Tuittila, Bing Liu, Keith G. Inman, Fernando Ruiz-Perez, Inacio Mandomando, James P. Nataro, Anton V. Zavialov, Steve Matthews
Plos Pathogens, 10 (9) Sept 2014 DOI: 10.1371/journal.ppat.1004404 Journal Paper I24-Microfocus Macromolecular Crystallography open access Structural analysis of the complex formed between the ansamycin antibiotic rifabutin and the BCL6 BTB-POZ domain Sian E. Evans
Sept 2014 Thesis I24-Microfocus Macromolecular Crystallography
Pushing the limits of sulfur SAD phasing: de novo structure solution of the N-terminal domain of the ectodomain of HCV E1 Kamel El Omari, Oleg Iourin, Jan Kadlec, Richard Fearn, David R. Hall, Karl Harlos, Jonathan M. Grimes, David I. Stuart
Acta Crystallographica Section D Biological Crystallography, 70 Aug 2014 DOI: 10.1107/S139900471401339X Journal Paper I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access Crystal structure of a human GABAA receptor Paul S. Miller, A. Radu Aricescu
Nature, 512 (7514) Aug 2014 DOI: 10.1038/nature13293 Journal Paper I03-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography Structural and mechanistic insight into the Listeria monocytogenes two-enzyme lipoteichoic acid synthesis system Ivan Campeotto, Matthew G. Percy, James T. Macdonald, Andreas Forster, Paul S. Freemont, Angelika Gründling
Journal Of Biological Chemistry, Aug 2014 DOI: 10.1074/jbc.M114.590570 Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength) I24-Microfocus Macromolecular Crystallography open access Structural basis for polyspecificity in the POT family of proton-coupled oligopeptide transporters Joseph A. Lyons, Joanne Parker, Nicolae Solcan, Alette Brinth, Dianfan Li, Syed T. A. Shah, Martin Caffrey, Simon Newstead
Embo Reports, 15 (8) Aug 2014 DOI: 10.15252/embr.201338403 Journal Paper I24-Microfocus Macromolecular Crystallography open access Crystal structure of Schistosoma mansoni HGPRT isoform 1 Larissa Romanello, Juliana Torini De Souza, Louise Bird, J. Nettleship, Ray Owens, Jose Brandao-Neto, Humberto Pereira
Aug 2014 Poster I02-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access
Structure of the periplasmic adaptor protein from a major facilitator superfamily (MFS) multidrug efflux pump Philip Hinchliffe, Nicholas P. Greene, Neil G. Paterson, Allister Crow, Colin Hughes, Vassilis Koronakis
Febs Letters, 588 (17) Aug 2014 DOI: 10.1016/j.febslet.2014.06.055 Journal Paper I24-Microfocus Macromolecular Crystallography open access A conformational landscape for alginate secretion across the outer Purification, crystallization and preliminary X-ray diffraction analysis of GatD, a glutamine amidotransferase-like protein from Staphylococcus aureus peptidoglycanaureus peptidoglycan Jingquan Tan, Sarah L. Rouse, Dianfan Li, Valerie Pye, Lutz Vogeley, Alette Brinth, Toufic El Arnaout, John C. Whitney, P. Lynne Howell, Mark S. P. Sansom, Martin Caffrey
Acta Crystallographica Section D Biological Crystallography, 70 Aug 2014 DOI: 10.1107/S1399004714001850 Journal Paper I24-Microfocus Macromolecular Crystallography open access Substrate-guided front-face reaction revealed by combined structural snapshots and metadynamics for the polypeptide N -acetylgalactosaminyltransferase 2 Erandi Lira, Javier Iglesias-Fernandez, Wesley F. Zandberg, Ismael Compañón, Yun Kong, Francisco Corzana, B. Mario Pinto, Henrik Clausen, Jesús M. Peregrina, David J. Vocadlo, Carme Rovira, Ramon Hurtado-Guerrero
Angewandte Chemie International Edition, 53 (31) Jul 2014 DOI: 10.1002/anie.201402781 Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength) I24-Microfocus Macromolecular Crystallography Discovery and optimization of small-molecule ligands for the CBP/p300 bromodomains Duncan A. Hay, Oleg Fedorov, Sarah Martin, Dean C. Singleton, Cynthia Tallant Blanco, Christopher Wells, Sarah Picaud, Martin Philpott, Octovia P. Monteiro, Catherine M. Rogers, Stuart J. Conway, Timothy P. C. Rooney, Anthony Tumber, Clarence Yapp, Panagis Filippakopoulos, Mark E. Bunnage, Susanne Müller, S Knapp, Christopher J. Schofield, Paul E. Brennan
Journal Of The American Chemical Society, 136 (26) Jul 2014 DOI: 10.1021/ja412434f Journal Paper I02-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access Structure of class C GPCR metabotropic glutamate receptor 5 transmembrane domain Andrew Dore, Krzysztof Okrasa, Jayesh C. Patel, Maria Serrano-Vega, Kirstie Bennett, Robert M. Cooke, James C. Errey, Ali Jazayeri, Samir Khan, Ben Tehan, Malcolm Weir, Giselle R. Wiggin, Fiona H. Marshall
Nature, 511 (7511) Jul 2014 DOI: 10.1038/nature13396 Structural basis of chitin oligosaccharide deacetylation David Albesa-Jove, Marcelo Guerin, Eduardo Andres, Xevi Biarnés, Bruno M. Moerschbacher, Antoni Planas
Angewandte Chemie International Edition, 53 (27) Jul 2014 DOI: 10.1002/anie.201400220 Journal Paper I03-Macromolecular Crystallography I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography The crystal structure of ferritin from Chlorobium tepidum reveals a new conformation of the 4-fold channel for this protein family Mauricio Arenas-Salinas, Philip Townsend, Christian Brito, Valeria Marquez, Vanessa Marabolli, Fernando Gonzalez-Nilo, Cata Matias, Richard K. Watt, Juan D. López-Castro, José Domínguez-Vera, Ehmke Pohl, Alejandro Yévenes
Biochimie, Jul 2014 DOI: 10.1016/j.biochi.2014.07.019 Renaturing membrane proteins in the lipid cubic phase, a nanoporous membrane mimetic Dianfan Li, Martin Caffrey
Scientific Reports, 4 Jul 2014 DOI: 10.1038/srep05806 Journal Paper I24-Microfocus Macromolecular Crystallography open access Cell-free expression and in meso crystallisation of an integral membrane kinase for structure determination Coilín Boland, Dianfan Li, Syed Tasadaque Ali Shah, Stefan Haberstock, Volker Dötsch, Frank Bernhard, Martin Caffrey
Cellular And Molecular Life Sciences, Jul 2014 DOI: 10.1007/s00018-014-1655-7 Lysosome sorting of beta-glucocerebrosidase by LIMP-2 is targeted by the mannose 6-phosphate receptor Yuguang Zhao, Jingshan Ren, Sergi Padilla-Parra, Elizabeth E. Fry, David I. Stuart
Nature Communications, 5 Jul 2014 DOI: 10.1038/ncomms5321 Journal Paper I24-Microfocus Macromolecular Crystallography open access Crystallization and preliminary analysis of the NqrA and NqrC subunits of the Na+-translocating NADH:ubiquinone oxidoreductase from Vibrio cholerae Georg Vohl, Ruslan Nedielkov, Björn Claussen, Marco S. Casutt, Thomas Vorburger, Kay Diederichs, Heiko M. Möller, Julia Steuber, Guenter Fritz
Acta Crystallographica Section F Structural Biology Communications, 70 (7) Jul 2014 DOI: 10.1107/S2053230X14009881 Journal Paper I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography X-ray structure of a CDP-alcohol phosphatidyltransferase membrane enzyme and insights into its catalytic mechanism Przemyslaw Nogly, Ivan Gushchin, Alina Remeeva, Ana M. Esteves, Nuno Borges, Pikyee Ma, Andrii Ishchenko, Sergei Grudinin, Ekaterina Round, Isabel Moraes, Valentin Borshchevskiy, Helena Santos, Valentin Gordeliy, Margarida Archer
Nature Communications, 5 June 2014 DOI: 10.1038/ncomms5169 The peptide-binding cavity is essential for Als3-mediated adhesion of Candida albicans to human cells Jing Lin, Soon.-Hwan Oh, Rhian Jones, James Garnett, Paula Salgado, Sophia Rusnakova, Steve J. Matthews, Lois L. Hoyer, Ernesto Cota
Journal Of Biological Chemistry, 289 (26) June 2014 DOI: 10.1074/jbc.M114.547877 Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength) I24-Microfocus Macromolecular Crystallography open access Inhibiting Helicobacter pylori HtrA protease by addressing a computationally predicted allosteric ligand binding site Anna Maria Perna, Felix Reisen, Thomas P. Schmidt, Tim Geppert, Max Pillong, Martin Weisel, Benjamin Hoy, Philip C. Simister, Stephan M. Feller, Silja Wessler, Gisbert Schneider
Chemical Science, 5 (9) June 2014 DOI: 10.1039/C4SC01443J The crystal structure of NS5A domain 1 from genotype 1a reveals new clues to the mechanism of action for dimeric HCV inhibitors Sebastian Lambert, David R. Langley, James Garnett, Richard Angell, Katy Hedgethorne, Nicholas A. Meanwell, Steve J. Matthews
Protein Science, 23 (6) June 2014 DOI: 10.1002/pro.2456 Journal Paper I24-Microfocus Macromolecular Crystallography open access Structural basis for outer membrane lipopolysaccharide insertion Haohao Dong, Quanju Xiang, Yinghong Gu, Zhongshan Wang, Neilg. Paterson, Phillip J. Stansfeld, Chuan He, Yizheng Zhang, Wenjian Wang, Changjiang Dong
Nature, 511 (7507) June 2014 DOI: 10.1038/nature13464 Journal Paper I02-Macromolecular Crystallography I03-Macromolecular Crystallography I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography Characterization of two homologous 2′-O-methyltransferases showing different specificities for their tRNA substrates Jonathan Somme, Bart Van Laer, Martine Roovers, Jan Steyaert, Wim Versées, Louis Droogmans
Rna, 20 (8) June 2014 DOI: 10.1261/rna.044503.114 Journal Paper I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access Exploiting fast detectors to enter a new dimension in room-temperature crystallography Robin L. Owen, Neil Paterson, Danny Axford, Jun Aishima, Clemens Schulze-Briese, Jingshan Ren, Elizabeth E. Fry, David I. Stuart, Gwyndaf Evans
Acta Crystallographica Section D Biological Crystallography, 70 May 2014 DOI: 10.1107/S1399004714005379 Journal Paper I24-Microfocus Macromolecular Crystallography open access Structure and inhibition of mouse leukotriene C4 synthase Damian Niegowski, Thea Kleinschmidt, Shabbir Ahmad, Abdul Aziz Qureshi, Michaela Mårback, Agnes Rinaldo-Matthis, Jesper Z. Haeggström, Ivano Eberini
Plos One, 9 (5) May 2014 DOI: 10.1371/journal.pone.0096763 Journal Paper I24-Microfocus Macromolecular Crystallography open access The X-ray crystal structure of Shewanella oneidensis OmcA reveals new insight at the microbe-mineral interface Marcus J. Edwards, Nanakow A. Baiden, Alexander Johs, Stephen J. Tomanicek, Liyuan Liang, Liang Shi, Jim K. Fredrickson, John M. Zachara, Andrew J. Gates, Julea N. Butt, David J. Richardson, Thomas A. Clarke
Febs Letters, 588 (10) May 2014 DOI: 10.1016/j.febslet.2014.04.013 Drastic changes in conformational dynamics of the antiterminator M2-1 regulate transcription efficiency in Pneumovirinae Cedric Leyrat, Max Renner, Karl Harlos, Juha T. Huiskonen, Jonathan M. Grimes
Elife, 3 May 2014 DOI: 10.7554/eLife.02674 Journal Paper I03-Macromolecular Crystallography I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access Biochemical and structural characterisation of a haloalkane dehalogenase from a marine Rhodobacteraceae Halina R. Novak, Christopher Sayer, Misha Isupov, Dorothee Gotz, Andrew Mearns Spragg, Jennifer Littlechild
Febs Letters, 588 (9) May 2014 DOI: 10.1016/j.febslet.2014.02.056 Journal Paper I03-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography The structure of a class 3 nonsymbiotic plant haemoglobin from Brandon Reeder, Mike Hough
Acta Crystallographica Section D Biological Crystallography, 70 May 2014 DOI: 10.1107/S1399004714004878 Structure of the AcrAB-TolC multidrug efflux pump Dijun Du, Zhao Wang, Nathan R. James, Jarrod E. Voss, Ewa Klimont, Thelma Ohene-Agyei, Henrietta Venter, Wah Chiu, Ben F. Luisi
Nature, 509 (7501) May 2014 DOI: 10.1038/nature13205 Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength) I24-Microfocus Macromolecular Crystallography In cellulo structure determination of a novel cypovirus polyhedrin Danny Axford, Xiaoyun Ji, Dave Stuart, Geoff Sutton
Acta Crystallographica Section D Biological Crystallography, 70 May 2014 DOI: 10.1107/S1399004714004714 Journal Paper I24-Microfocus Macromolecular Crystallography open access Adhiron: a stable and versatile peptide display scaffold for molecular recognition applications C. Tiede, A. A. S. Tang, S. E. Deacon, U. Mandal, J. E. Nettleship, R. L. Owen, S. E. George, D. J. Harrison, R. J. Owens, D. C. Tomlinson, M. J. Mcpherson
Protein Engineering Design And Selection, 27 (5) Apr 2014 DOI: 10.1093/protein/gzu007 Journal Paper I24-Microfocus Macromolecular Crystallography open access Structural insight into how Streptomyces coelicolor maltosyl transferase GlgE binds alpha-maltose 1-phosphate and forms a maltosyl-enzyme intermediate Karl Syson, Clare Stevenson, Abdul M. Rashid, Gerhard Saalbach, Minhong Tang, Anne Tuukkanen, Dmitri I. Svergun, Stephen G. Withers, David Lawson, Stephen Bornemann
Biochemistry, 53 (15) Apr 2014 DOI: 10.1021/bi500183c Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength) I24-Microfocus Macromolecular Crystallography open access Binding mode and structure–activity relationships around direct inhibitors of the Nrf2–Keap1 complex Eric Jnoff, Claudia Albrecht, John J. Barker, Oliver Barker, Edward Beaumont, Steven Bromidge, Frederick Brookfield, Mark Brooks, Christian Bubert, Tom Ceska, Vincent Corden, Graham Dawson, Stephanie Duclos, Tara Fryatt, Christophe Genicot, Emilie Jigorel, Jason Kwong, Rosemary Maghames, Innocent Mushi, Richard Pike
Chemmedchem, 9 (4) Apr 2014 DOI: 10.1002/cmdc.201300525 Journal Paper I02-Macromolecular Crystallography I03-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography Crystallizing membrane proteins in the lipidic mesophase. experience with human prostaglandin E2 Synthase 1 and an evolving strategy Dianfan Li, Nicole Howe, Abhiram Dukkipati, Syed T. A. Shah, Benjamin D. Bax, Colin Edge, Angela Bridges, Phil Hardwicke, Onkar M. P. Singh, Ged Giblin, Alexander Pautsch, Roland Pfau, Gisela Schnapp, Meitian Wang, Vincent Olieric, Martin Caffrey
Crystal Growth & Design, 14 (4) Mar 2014 DOI: 10.1021/cg500157x Journal Paper I24-Microfocus Macromolecular Crystallography open access Oncogenic RET kinase domain mutations perturb the autophosphorylation trajectory by enhancing substrate presentation in trans Ivan Plaza-Menacho, Karin Barnouin, Kerry Goodman, Rubén J. Martínez-Torres, Annabel Borg, Judith Murray-Rust, Stephane Mouilleron, Phillip Knowles, Neil Q. Mcdonald
Molecular Cell, 53 (5) Mar 2014 DOI: 10.1016/j.molcel.2014.01.015 Journal Paper I24-Microfocus Macromolecular Crystallography open access Design and synthesis of high affinity inhibitors of Plasmodium falciparum and Plasmodium vivax N-myristoyltransferases directed by ligand efficiency dependent lipophilicity (LELP) Mark D. Rackham, James A. Brannigan, Kaveri Rangachari, Stephan Meister, Anthony Wilkinson, Anthony A. Holder, Robin J. Leatherbarrow, Edward W. Tate
Journal Of Medicinal Chemistry, 57 (6) Mar 2014 DOI: 10.1021/jm500066b Journal Paper I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access Impact of residues remote from the catalytic centre on enzyme catalysis of copper nitrite reductase Nicole G. H. Leferink, Svetlana V. Antonyuk, Joseline A. Houwman, Nigel S. Scrutton, Robert R. Eady, Samar Hasnain
Nature Communications, 5 Mar 2014 DOI: 10.1038/ncomms5395 Journal Paper I24-Microfocus Macromolecular Crystallography open access A new crystal structure of the bifunctional antibiotic simocyclinone D8 bound to DNA gyrase gives fresh insight into the mechanism of inhibition Stephen Hearnshaw, Marcus Edwards, Clare Stevenson, David Lawson, Anthony Maxwell
Journal Of Molecular Biology, Mar 2014 DOI: 10.1016/j.jmb.2014.02.017 Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength) I24-Microfocus Macromolecular Crystallography open access The ansamycin antibiotic, rifamycin SV, inhibits BCL6 transcriptional repression and forms a complex with the BCL6-BTB/POZ domain Sian Evans, Benjamin T. Goult, Louise Fairall, Andrew G. Jamieson, Paul Ko Ferrigno, Robert Ford, John W. R. Schwabe, Simon D. Wagner
Plos One, 9 (3) Mar 2014 DOI: 10.1371/journal.pone.0090889 Journal Paper I24-Microfocus Macromolecular Crystallography open access Inhibition of triosephosphate isomerase by phosphoenolpyruvate in the feedback-regulation of glycolysis Nana-Maria Gruning, Dijun Du, M. A. Keller, Ben Luisi, M. Ralser
Open Biology, 4 (3) Mar 2014 DOI: 10.1098/rsob.130232 Journal Paper I24-Microfocus Macromolecular Crystallography open access Enthalpy/entropy compensation effects from cavity desolvation underpin broad ligand binding selectivity for rat odorant binding protein 3 Katherine L. Portman, Jed Long, Stephen Carr, Loïc Briand, Donald J. Winzor, Mark S. Searle, Dave Scott
Biochemistry, 53 (14) Mar 2014 DOI: 10.1021/bi5002344 Pyruvate kinases have an intrinsic and conserved decarboxylase activity Wenhe Zhong, Hugh P. Morgan, Matthew W. Nowicki, Iain W. Mcnae, Meng Yuan, Juraj Bella, Paul A. M. Michels, Linda A. Fothergill-Gilmore, Malcolm D. Walkinshaw
Biochemical Journal, 458 (2) Mar 2014 DOI: 10.1042/BJ20130790 Journal Paper I03-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography Structural and mechanistic insights into an extracytoplasmic copper trafficking pathway in Streptomyces lividans Michael A. Hough, Katie L. I. M. Blundell, Jonathan Worrall, Erik Vijgenboom
Biochemical Journal, Feb 2014 DOI: 10.1042/BJ20140017 Journal Paper I02-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I24-Microfocus Macromolecular Crystallography More-powerful virus inhibitors from structure-based analysis of HEV71 capsid-binding molecules Luigi De Colibus, Xiangxi Wang, John A. B. Spyrou, James Kelly, Jingshan Ren, Jonathan Grimes, Gerhard Puerstinger, Nicola Stonehouse, Thomas Walter, Zhongyu Hu, Junzhi Wang, Xuemei Li, Wei Peng, David J. Rowlands, Elizabeth E. Fry, Zihe Rao, David I. Stuart
Nature Structural & Molecular Biology, 21 (3) Feb 2014 DOI: 10.1038/nsmb.2769 Journal Paper I03-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography Lectin-like bacteriocins from Pseudomonas spp. utilise D-rhamnose containing lipopolysaccharide as a cellular receptor Laura C. Mccaughey, Rhys Grinter, Inokentijs Josts, Aleksander Roszak, Kai I. Waløen, Richard J. Cogdell, Joel Milner, Tom Evans, Sharon Kelly, Nicholas P. Tucker, Olwyn Byron, Brian Smith, Daniel Walker
Plos Pathogens, 10 (2) Feb 2014 DOI: 10.1371/journal.ppat.1003898 Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access Global low-frequency motions in protein allostery: CAP as a model system Ehmke Pohl, Philip D. Townsend, Thomas L. Rodgers, Mark R. Wilson, Tom C. B. Mcleish, Martin J. Cann
Biophysical Reviews , 7 (163) Feb 2014 DOI: 10.1007/s12551-015-0163-9 Journal Paper I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access Visualizing autophosphorylation in histidine kinases Patricia Casino, Laura Miguel-Romero, Alberto Marina
Nature Communications, 5 Feb 2014 DOI: 10.1038/ncomms4258 A bacterial homolog of a eukaryotic inositol phosphate signaling enzyme mediates cross-kingdom dialog in the mammalian gut Régis Stentz, Samantha Osborne, Nikki Horn, Arthur w. H. Li, Isabelle Hautefort, Roy Bongaerts, Marine Rouyer, Paul Bailey, Stephen B. Shears, Andrew M. Hemmings, Charles A. Brearley, Simon R. Carding
Cell Reports, 6 (4) Feb 2014 DOI: 10.1016/j.celrep.2014.01.021 Journal Paper I02-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access A structure of a collagen VI VWA domain displays N and C termini at opposite sides of the protein Ann-Kathrin a Becker, Halina Mikolajek, Mats Paulsson, Raimund Wagener, Joern Werner
Structure, 22 (2) Feb 2014 DOI: 10.1016/j.str.2013.06.028 Journal Paper I24-Microfocus Macromolecular Crystallography open access Structure, function and substrate tolerance of TxtC Lona Alkhalaf
Feb 2014 Thesis I24-Microfocus Macromolecular Crystallography
Structure of human RNA N6-methyladenine demethylase ALKBH5 provides insights into its mechanisms of nucleic acid recognition and demethylation Wei Shen Aik, John Scotti, Hwanho Choi, Lingzhi Gong, Marina Demetriades, Christopher J. Schofield, Michael Mcdonough
Nucleic Acids Research, Jan 2014 DOI: 10.1093/nar/gku085 Journal Paper I24-Microfocus Macromolecular Crystallography open access Structure of the human FANCL RING-Ube2T complex reveals determinants of cognate E3-E2 selection Charlotte Hodson, Andy Purkiss, Jennifer A. Miles, Helen Walden
Structure, Jan 2014 DOI: 10.1016/j.str.2013.12.004 Journal Paper I24-Microfocus Macromolecular Crystallography open access Structures of yeast mitochondrial ADP/ATP carriers support a domain-based alternating-access transport mechanism Jonathan J. Ruprecht, Alex M. Hellawell, Marilyn Harding, Paul G. Crichton, Airlie J. Mccoy, Edmund R. S. Kunji
Proceedings Of The National Academy Of Sciences, 111 (4) Jan 2014 DOI: 10.1073/pnas.1320692111 Journal Paper I24-Microfocus Macromolecular Crystallography open access Crystal structure of the essential transcription antiterminator M2-1 protein of human respiratory syncytial virus and implications of its phosphorylation Sian J. Tanner, Antonio Ariza, Charles-Adrien Richard, Hannah F. Kyle, Rachel L. Dods, Maire-Lise Blondot, Weining Wu, Jose Trincao, Chi H. Trinh, Julian A. Hiscox, Miles W. Carroll, Nigel J. Silman, Jean-Francois Eleouet, Thomas A. Edwards, John N. Barr
Proceedings Of The National Academy Of Sciences, 111 (4) Jan 2014 DOI: 10.1073/pnas.1317262111 Journal Paper I02-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access Structures of adenosine kinase from Trypanosoma brucei brucei Jennifer Timm, Dolores González-Pacanowska, Keith S. Wilson
Acta Crystallographica Section F Structural Biology Communications, 70 Jan 2014 DOI: 10.1107/S2053230X13033621 Journal Paper I03-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography Structural basis for binding of fluorinated glucose and galactose to Trametes multicolor pyranose 2-oxidase variants with improved galactose conversion Tien Chye Tan, Oliver Spadiut, Rosaria Gandini, Dietmar Haltrich, Christina Divne
Plos One, 9 (1) Jan 2014 DOI: 10.1371/journal.pone.0086736 Journal Paper I24-Microfocus Macromolecular Crystallography open access Structural basis for PTPA interaction with the invariant C-terminal tail of PP2A Christian Low, Esben Quistgaard, Michael Kovermann, Madhanagopal Anandapadamanaban, Jochen Balbach, Pär Nordlund
Biological Chemistry, 395 Jan 2014 DOI: 10.1515/hsz-2014-0106 Crystal structure of a Schistosoma mansoni septin reveals the phenomenon of strand slippage in septins dependent on the nature of the bound nucleotide A. E. Zeraik, H. M. Pereira, Y. V. Santos, J. Brandao-Neto, M. Spoerner, M. S. Santos, L. A. Colnago, R. C. Garratt, A. P. U. Araujo, R. Demarco
Journal Of Biological Chemistry, 289 (11) Jan 2014 DOI: 10.1074/jbc.M113.525352 Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength) I24-Microfocus Macromolecular Crystallography open access Control of KirBac3.1 potassium channel gating at the interface between cytoplasmic domains L. Zubcevic, V. N. Bavro, J. R. C Muniz, M. R. Schmidt, S. Wang, R. De Zorzi, C. Venien-Bryan, M. S. P. Sansom, C. G. Nichols, S. J. Tucker
Journal Of Biological Chemistry, 289 (1) Jan 2014 DOI: 10.1074/jbc.M113.501833 Journal Paper I24-Microfocus Macromolecular Crystallography open access