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Proceedings Of The National Academy Of Sciences, 37 Dec 2019 DOI: 10.1073/pnas.1912041116 Journal Paper I24-Microfocus Macromolecular Crystallography open access Comparison of orexin 1 and orexin 2 ligand binding modes using X-ray crystallography and computational analysis Mathieu Rappas, Ammar Ali, Kirstie A. Bennett, Jason D. Brown, Sarah J. Bucknell, Miles Congreve, Robert M. Cooke, Gabriella Cseke, Chris De Graaf, Andrew S. Dore, James C. Errey, Ali Jazayeri, Fiona H. Marshall, Jonathan S. Mason, Richard Mould, Jayesh C. Patel, Benjamin G. Tehan, Malcolm Weir, John A. Christopher
Journal Of Medicinal Chemistry, Dec 2019 DOI: 10.1021/acs.jmedchem.9b01787 Journal Paper I24-Microfocus Macromolecular Crystallography open access Cellular IP6 levels limit HIV production while viruses that cannot efficiently package IP6 are attenuated for infection and replication Donna L. Mallery, K. M. Rifat Faysal, Alex Kleinpeter, Miranda S. C. Wilson, Marina Vaysburd, Adam J. Fletcher, Mariia Novikova, Till Böcking, Eric O. Freed, Adolfo Saiardi, Leo C. James
Cell Reports, 29 Dec 2019 DOI: 10.1016/j.celrep.2019.11.050 Journal Paper I24-Microfocus Macromolecular Crystallography open access Molecular basis for GTP recognition by light‐activated guanylate cyclase RhGC Agata Butryn, Hadeeqa Raza, Heather Rada, Isabel Moraes, Raymond J. Owens, Allen M. Orville
The Febs Journal, Dec 2019 DOI: 10.1111/febs.15167 Journal Paper I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography VMXi-Versatile Macromolecular Crystallography in situ open access A key region of molecular specificity orchestrates unique ephrin-B1 utilization by Cedar virus Rhys Pryce, Kristopher Azarm, Ilona Rissanen, Karl Harlos, Thomas Bowden, Benhur Lee
Life Science Alliance, 3 Dec 2019 DOI: 10.26508/lsa.201900578 Journal Paper I02-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access Defining the remarkable structural malleability of a bacterial surface protein Rib domain implicated in infection Fiona Whelan, Aleix Lafita, Samuel C. Griffiths, Rachael E. M. Cooper, Jean L. Whittingham, Johan P. Turkenburg, Iain W. Manfield, Alexander N. St. John, Emanuele Paci, Alex Bateman, Jennifer R. Potts
Proceedings Of The National Academy Of Sciences, 64 Dec 2019 DOI: 10.1073/pnas.1911776116 Journal Paper B21-High Throughput SAXS I03-Macromolecular Crystallography I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access The Plasmodium falciparum Hsp70-x chaperone assists the heat stress response of the malaria parasite Jemma Day, Armin Passecker, Hans-Peter Steinruck, Ioannis Vakonakis
The Faseb Journal, Nov 2019 DOI: 10.1096/fj.201901741R Journal Paper I03-Macromolecular Crystallography I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access Desolvation of the substrate binding protein TauA dictates ligand specificity for the alkanesulfonate ABC importer TauABC Feng Qu, Kamel El Omari, Armin Wagner, Alfonso De Simone, Konstantinos Beis
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Scientific Reports, 9 Nov 2019 DOI: 10.1038/s41598-019-52795-1 Journal Paper I24-Microfocus Macromolecular Crystallography open access Crystal structures of the Bacillus subtilis prophage lytic cassette proteins XepA and YomS Stefanie Freitag-Pohl, Andrius Jasilionis, Maria Håkansson, L. Anders Svensson, Rebeka Kovačič, Martin Welin, Hildegard Watzlawick, Lei Wang, Josef Altenbuchner, Magdalena Płotka, Anna Karina Kaczorowska, Tadeusz Kaczorowski, Eva Nordberg Karlsson, Salam Al-Karadaghi, Björn Walse, Arnthór Aevarsson, Ehmke Pohl
Acta Crystallographica Section D Structural Biology, 75 Nov 2019 DOI: 10.1107/S2059798319013330 Journal Paper I03-Macromolecular Crystallography I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access A cryptic hydrophobic pocket in the polo-box domain of the polo-like kinase PLK1 regulates substrate recognition and mitotic chromosome segregation Pooja Sharma, Robert Mahen, Maxim Rossmann, Jamie E. Stokes, Bryn Hardwick, David J. Huggins, Amy Emery, Dominique L. Kunciw, Marko Hyvonen, David R. Spring, Grahame J. Mckenzie, Ashok R. Venkitaraman
Scientific Reports, 9 Nov 2019 DOI: 10.1038/s41598-019-50702-2 Journal Paper I03-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access PMP–diketopiperazine adducts form at the active site of a PLP dependent enzyme involved in formycin biosynthesis Sisi Gao, Huanting Liu, Valérie De Crécy-Lagard, Wen Zhu, Nigel G. J. Richards, James H. Naismith
Chemical Communications, 55 Nov 2019 DOI: 10.1039/C9CC06975E Journal Paper I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access DNA SOS: Understanding DNA signaling pathways Diamond Light Source
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Scaffold-hopping identifies furano[2,3-d]pyrimidine amides as potent Notum inhibitors Benjamin N. Atkinson, David Steadman, William Mahy, Yuguang Zhao, James Sipthorp, Elliott D. Bayle, Fredrik Svensson, George Papageorgiou, Fiona Jeganathan, Sarah Frew, Amy Monaghan, Magda Bictash, E. Yvonne Jones, Paul V. Fish
Bioorganic & Medicinal Chemistry Letters, Oct 2019 DOI: 10.1016/j.bmcl.2019.126751 Journal Paper I03-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access The morphogen Sonic hedgehog inhibits its receptor Patched by a pincer grasp mechanism Amalie F. Rudolf, Maia Kinnebrew, Christiane Kowatsch, T. Bertie Ansell, Kamel El Omari, Benjamin Bishop, Els Pardon, Rebekka A. Schwab, Tomas Malinauskas, Mingxing Qian, Ramona Duman, Douglas F. Covey, Jan Steyaert, Armin Wagner, Mark S. P. Sansom, Rajat Rohatgi, Christian Siebold
Nature Chemical Biology, 15 Oct 2019 DOI: 10.1038/s41589-019-0370-y Journal Paper I04-Macromolecular Crystallography I23-Long wavelength MX I24-Microfocus Macromolecular Crystallography Structural insight into eukaryotic sterol transport through Niemann-Pick Type C proteins Mikael B. L. Winkler, Rune T. Kidmose, Maria Szomek, Katja Thaysen, Shaun Rawson, Stephen P. Muench, Daniel Wüstner, Bjorn Panyella Pedersen
Cell, Oct 2019 DOI: 10.1016/j.cell.2019.08.038 Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography Krios I-Titan Krios I at Diamond Krios II-Titan Krios II at Diamond Lessons from LIMK1 enzymology and their impact on inhibitor design Eidarus Salah, Deep Chatterjee, Alessandra Beltrami, Anthony Tumber, Franziska Preuss, Peter Canning, Apirat Chaikuad, Petra Knaus, Stefan Knapp, Alex N. Bullock, Sebastian Mathea
Biochemical Journal, Oct 2019 DOI: 10.1042/BCJ20190517 Journal Paper I02-Macromolecular Crystallography I03-Macromolecular Crystallography I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access Enhancing PLP-binding capacity of class-III ω-transaminase by single residue substitution David Roura Padrosa, Raphael Alaux, Phillip Smith, Ingrid Dreveny, Fernando López-Gallego, Francesca Paradisi
Frontiers In Bioengineering And Biotechnology, 7 Oct 2019 DOI: 10.3389/fbioe.2019.00282 Journal Paper I24-Microfocus Macromolecular Crystallography open access Elucidation of a sialic acid metabolism pathway in mucus-foraging Ruminococcus gnavus unravels mechanisms of bacterial adaptation to the gut Andrew Bell, Jason Brunt, Emmanuelle Crost, Laura Vaux, Ridvan Nepravishta, C. David Owen, Dimitrios Latousakis, An Xiao, Wanqing Li, Xi Chen, Martin A. Walsh, Jan Claesen, Jesus Angulo, Gavin H. Thomas, Nathalie Juge
Nature Microbiology, 14 Oct 2019 DOI: 10.1038/s41564-019-0590-7 Journal Paper I03-Macromolecular Crystallography I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography VMXi-Versatile Macromolecular Crystallography in situ Acceptance and kinetic resolution of α-methyl-substituted aldehydes by norcoclaurine synthases Rebecca Roddan, Gudrun Gygli, Altin Sula, Daniel Méndez-Sánchez, Jürgen Pleiss, John M. Ward, Nicholas H. Keep, Helen C. Hailes
Acs Catalysis, Sept 2019 DOI: 10.1021/acscatal.9b02699 The structural basis of lipid scrambling and inactivation in the endoplasmic reticulum scramblase TMEM16K Simon R. Bushell, Ashley C. W. Pike, Maria E. Falzone, Nils J. G. Rorsman, Chau M. Ta, Robin A. Corey, Thomas D. Newport, John C. Christianson, Lara F. Scofano, Chitra Shintre, Annamaria Tessitore, Amy Chu, Qinrui Wang, Leela Shrestha, Shubhashish M. M. Mukhopadhyay, James D. Love, Nicola A. Burgess-Brown, Rebecca Sitsapesan, Phillip J. Stansfeld, Juha T. Huiskonen, Paolo Tammaro, Alessio Accardi, Elisabeth P. Carpenter
Nature Communications, 10 Sept 2019 DOI: 10.1038/s41467-019-11753-1 Journal Paper I24-Microfocus Macromolecular Crystallography open access OmpK36-mediated Carbapenem resistance attenuates ST258 Klebsiella pneumoniae in vivo Joshua L. C. Wong, Maria Romano, Louise E. Kerry, Hok-Sau Kwong, Wen-Wen Low, Stephen J. Brett, Abigail Clements, Konstantinos Beis, Gad Frankel
Nature Communications, 10 Sept 2019 DOI: 10.1038/s41467-019-11756-y Journal Paper I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access A chemical probe for tudor domain protein spindlin1 to investigate chromatin function Vincent Fagan, Catrine Johansson, Carina Gileadi, Octovia Monteiro, James Edward Dunford, Reshma Nibhani, Martin Philpott, Jessica Malzahn, Graham Wells, Ruth Farham, Adam Cribbs, Nadia Halidi, Fengling Li, Irene Chau, Holger Greschik, Srikannathasan Velupillai, Abdellah Allali-Hassani, James M. Bennett, Thomas Christott, Charline Giroud, Andrew M. Lewis, Kilian V. M. Huber, Nick Athanasou, Chas Bountra, Manfred Jung, Roland Schüle, Masoud Vedadi, Cheryl H. Arrowsmith, Yan Xiong, Jian Jin, Oleg Fedorov, Gillian Farnie, Paul E. Brennan, Udo C. T. Oppermann
Journal Of Medicinal Chemistry, Sept 2019 DOI: 10.1021/acs.jmedchem.9b00562 Journal Paper I02-Macromolecular Crystallography I03-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography A family of dual-activity glycosyltransferase-phosphorylases mediates mannogen turnover and virulence in Leishmania parasites M. Fleur Sernee, Julie E. Ralton, Tracy L. Nero, Lukasz F. Sobala, Joachim Kloehn, Marcel A. Vieira-Lara, Simon A. Cobbold, Lauren Stanton, Douglas E. V. Pires, Eric Hanssen, Alexandra Males, Tom Ward, Laurence M. Bastidas, Phillip L. Van Der Peet, Michael W. Parker, David B. Ascher, Spencer J. Williams, Gideon J. Davies, Malcolm J. Mcconville
Cell Host & Microbe, 26 Sept 2019 DOI: 10.1016/j.chom.2019.08.009 Journal Paper I03-Macromolecular Crystallography I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access Structures of influenza A virus RNA polymerase offer insight into viral genome replication Haitian Fan, Alexander P. Walker, Loic Carrique, Jeremy Keown, Itziar Serna Martin, Dimple Karia, Jane Sharps, Narin Hengrung, Els Pardon, Jan Steyaert, Jonathan M. Grimes, Ervin Fodor
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Acs Chemical Biology, Sept 2019 DOI: 10.1021/acschembio.9b00367 Journal Paper I02-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I24-Microfocus Macromolecular Crystallography open access Homomeric GluA2(R) AMPA receptors can conduct when desensitized Ian D. Coombs, David Soto, Thomas P. Mcgee, Matthew G. Gold, Mark Farrant, Stuart G. Cull-Candy
Nature Communications, 10 Sept 2019 DOI: 10.1038/s41467-019-12280-9 Journal Paper I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access Rotational symmetry of the structured Chip/LDB-SSDP core module of the Wnt enhanceosome Miha Renko, Marc Fiedler, Trevor J. Rutherford, Jonas V. Schaefer, Andreas Plückthun, Mariann Bienz
Proceedings Of The National Academy Of Sciences, 5 Sept 2019 DOI: 10.1073/pnas.1912705116 Journal Paper I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access Reducing sample consumption for serial crystallography using acoustic drop ejection Bradley Davy, Danny Axford, John H. Beale, Agata Butryn, Peter Docker, Ali Ebrahim, Gabriel Leen, Allen M. Orville, Robin L. Owen, Pierre Aller
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The role of the light chain in the structure and binding activity of two cattle antibodies that neutralize bovine respiratory syncytial virus Jingshan Ren, Joanne E. Nettleship, Gemma Harris, William Mwangi, Nahid Rhaman, Clare Grant, Abhay Kotecha, Elizabeth Fry, Bryan Charleston, David I. Stuart, John Hammond, Raymond J. Owens
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Nature Communications, 10 Aug 2019 DOI: 10.1038/s41467-019-11474-5 Journal Paper I24-Microfocus Macromolecular Crystallography open access Bicyclic boronate VNRX-5133 inhibits metallo- and serine-β-lactamases Alen Krajnc, Jurgen Brem, Philip Hinchliffe, Karina Calvopina, Tharindi Panduwawala, Pauline A. Lang, Jos J. A. G. Kamps, Jonathan M. Tyrell, Emma Widlake, Benjamin G. Saward, Timothy R. Walsh, James Spencer, Christopher J. Schofield
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Journal Of Synchrotron Radiation, 26 Jul 2019 DOI: 10.1107/S1600577519003849 Journal Paper I24-Microfocus Macromolecular Crystallography open access Development of inhibitors against Mycobacterium abscessus tRNA (m 1 G37) methyltransferase (TrmD) using fragment-based approaches Andrew J. Whitehouse, Sherine E. Thomas, Karen P. Brown, Alexander Fanourakis, Daniel S.-H. Chan, M. Daben J. Libardo, Vitor Mendes, Helena I. M. Boshoff, R. Andres Floto, Chris Abell, Tom Blundell, Anthony G. Coyne
Journal Of Medicinal Chemistry, Jul 2019 DOI: 10.1021/acs.jmedchem.9b00809 Journal Paper I02-Macromolecular Crystallography I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access Radiation-damage investigation of a DNA 16-mer Valeria Bugris, Veronika Harmat, Györgyi Ferenc, Sándor Brockhauser, Ian Carmichael, Elspeth F. Garman
Journal Of Synchrotron Radiation, 26 Jul 2019 DOI: 10.1107/S160057751900763X Structural basis for recruitment of DAPK1 to the KLHL20 E3 ligase Zhuoyao Chen, Sarah Picaud, Panagis Filippakopoulos, Vincenzo D'Angiolella, Alex N. Bullock
Structure, Jul 2019 DOI: 10.1016/j.str.2019.06.005 Journal Paper I03-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access Structure of S-layer protein Sap reveals a mechanism for therapeutic intervention in anthrax Antonella Fioravanti, Filip Van Hauwermeiren, Sander E. Van Der Verren, Wim Jonckheere, Amanda Goncalves, Els Pardon, Jan Steyaert, Henri De Greve, Mohamed Lamkanfi, Han Remaut
Nature Microbiology, 8 Jul 2019 DOI: 10.1038/s41564-019-0499-1 Journal Paper I03-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography C7orf59/LAMTOR4 phosphorylation and structural flexibility modulate Ragulator assembly Nadia Rasheed, Tatiani B. Lima, Gustavo F. Mercaldi, Andrey F. Z. Nascimento, Ana L. S. Silva, Germanna L. Righetto, Liron Bar‐peled, Kuang Shen, David M. Sabatini, Fabia C. Gozzo, Ricardo Aparicio, Juliana H. C. Smetana
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Acta Crystallographica Section D Structural Biology, 75 June 2019 DOI: 10.1107/S2059798319006910 Journal Paper I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography Atomic view into Plasmodium actin polymerization, ATP hydrolysis, and fragmentation Esa-Pekka Kumpula, Andrea J. Lopez, Leila Tajedin, Huijong Han, Inari Kursula
Plos Biology, June 2019 DOI: 10.1371/journal.pbio.3000315 Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength) I24-Microfocus Macromolecular Crystallography open access Unraveling the role of the secretor antigen in human rotavirus attachment to histo-blood group antigens Roberto Gozalbo-Rovira, J. Rafael Ciges-Tomas, Susana Vila-Vicent, Javier Buesa, Cristina Santiso-Bellón, Vicente Monedero , María Jesús Yebra, Alberto Marina, Jesús Rodríguez-Díaz
Plos Pathogens, June 2019 DOI: 10.1371/journal.ppat.1007865 Journal Paper I03-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access Structural insights into substrate recognition by the SOCS2 E3 ubiquitin ligase Wei-Wei Kung, Sarath Ramachandran, Nikolai Makukhin, Elvira Bruno, Alessio Ciulli
Nature Communications, 10 June 2019 DOI: 10.1038/s41467-019-10190-4 Journal Paper I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access Domain-interface dynamics of CFTR revealed by stabilizing nanobodies Maud Sigoillot, Marie Overtus, Magdalena Grodecka, Daniel Scholl, Abel Garcia-Pino, Toon Laeremans, Lihua He, Els Pardon, Ellen Hildebrandt, Ina Urbatsch, Jan Steyaert, John R. Riordan, Cedric Govaerts
Nature Communications, 10 June 2019 DOI: 10.1038/s41467-019-10714-y Journal Paper I02-Macromolecular Crystallography I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access RPEL-family rhoGAPs link Rac/Cdc42 GTP loading to G-actin availability Jessica Diring, Stephane Mouilleron, Neil Q. Mcdonald, Richard Treisman
Nature Cell Biology, June 2019 DOI: 10.1038/s41556-019-0337-y Structure-guided fragment-based drug discovery at the synchrotron: screening binding sites and correlations with hotspot mapping Sherine E. Thomas, Patrick Collins, Rory Hennell James, Vitor Mendes, Sitthivut Charoensutthivarakul, Chris Radoux, Chris Abell, Anthony G. Coyne, R. Andres Floto, Frank Von Delft, Tom Blundell
Philosophical Transactions Of The Royal Society A: Mathematical, Physical And Engineering Sciences, 377 June 2019 DOI: 10.1098/rsta.2018.0422 Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access Mapping the structural path for allosteric inhibition of a short-form ATP phosphoribosyltransferase by histidine Catherine M. Thomson, Magnus Alphey, Gemma Fisher, Rafael G. Da Silva
Biochemistry, June 2019 DOI: 10.1021/acs.biochem.9b00282 Journal Paper I24-Microfocus Macromolecular Crystallography open access BAF complex vulnerabilities in cancer demonstrated via structure-based PROTAC design William Farnaby, Manfred Koegl, Michael J. Roy, Claire Whitworth, Emelyne Diers, Nicole Trainor, David Zollman, Steffen Steurer, Jale Karolyi-Oezguer, Carina Riedmueller, Teresa Gmaschitz, Johannes Wachter, Christian Dank, Michael Galant, Bernadette Sharps, Klaus Rumpel, Elisabeth Traxler, Thomas Gerstberger, Renate Schnitzer, Oliver Petermann, Peter Greb, Harald Weinstabl, Gerd Bader, Andreas Zoephel, Alexander Weiss-Puxbaum, Katharina Ehrenhöfer-Wölfer, Simon Wöhrle, Guido Boehmelt, Joerg Rinnenthal, Heribert Arnhof, Nicola Wiechens, Meng-Ying Wu, Tom Owen-Hughes, Peter Ettmayer, Mark Pearson, Darryl B. Mcconnell, Alessio Ciulli
Nature Chemical Biology, June 2019 DOI: 10.1038/s41589-019-0294-6 Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength) I24-Microfocus Macromolecular Crystallography A noncanonical chromophore reveals structural rearrangements of the light-oxygen-voltage domain upon photoactivation Mindaugas E. Kalvaitis, Luke A. Johnson, Robert J. Mart, Pierre Rizkallah, Rudolf K. Allemann
Biochemistry, May 2019 DOI: 10.1021/acs.biochem.9b00255 Journal Paper I02-Macromolecular Crystallography I03-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access Navigating the structural landscape of de novo α-helical bundles Guto G. Rhys, Christopher W. Wood, Joseph L. Beesley, Nathan R. Zaccai, Antony Burton, R. Leo Brady, Andrew R. Thomson, Derek N. Woolfson
Journal Of The American Chemical Society, May 2019 DOI: 10.1021/jacs.8b13354 Journal Paper I02-Macromolecular Crystallography I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography Structure of Mycobacterium tuberculosis phosphatidylinositol phosphate synthase reveals mechanism of substrate binding and metal catalysis Kristine Grave, Matthew D. Bennett, Martin Högbom
Communications Biology, 2 May 2019 DOI: 10.1038/s42003-019-0427-1 Journal Paper I24-Microfocus Macromolecular Crystallography open access The UbiX flavin prenyltransferase reaction mechanism resembles class I terpene cyclase chemistry Stephen Marshall, Karl A. P. Payne, Karl Fisher, Mark D. White, Aisling Ní Cheallaigh, Arune Balaikaite, Stephen E. J. Rigby, David Leys
Nature Communications, 10 May 2019 DOI: 10.1038/s41467-019-10220-1 Journal Paper I03-Macromolecular Crystallography I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access Distant non-obvious mutations influence the activity of a hyperthermophilic pyrococcus furiosus phosphoglucose isomerase Kalyanasundaram Subramanian , Karolina Mitusińska , John Raedts , Feras Almourfi, Henk-Jan Joosten, Sjon Hendricks, Svetlana E. Sedelnikova , Servé W. M. Kengen, Wilfred R. Hagen, Artur Góra, Vitor A. P. Martins Dos Santos , Patrick Baker, John Van Der Oost, Peter J. Schaap
Biomolecules, 9 May 2019 DOI: 10.3390/biom9060212 Journal Paper I03-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access Unexpected roles of a tether harboring a tyrosine gatekeeper residue in modular nitrite reductase catalysis Tobias Hedison, Rajesh Shenoy, Andreea Iulia Iorgu, Derren Heyes, Karl Fisher, Gareth Wright, Sam Hay, Robert Roy Eady, Svetlana Antonyuk, S. Samar Hasnain, Nigel S. Scrutton
Acs Catalysis, May 2019 DOI: 10.1021/acscatal.9b01266 Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I24-Microfocus Macromolecular Crystallography open access Identification of a novel orally bioavailable ERK5 inhibitor with selectivity over p38α and BRD4 Stephanie Myers, Duncan C. Miller, Lauren Molyneux, Mercedes Arasta, Ruth H. Bawn, Timothy Blackburn, Simon J. Cook, Noel Edwards, Jane A. Endicott, Bernard T. Golding, Roger J. Griffin, Tim Hammonds, Ian R. Hardcastle, Suzannah J. Harnor, Amy Heptinstall, Pamela Lochhead, Mathew P. Martin, Nick C. Martin, David R. Newell, Paul J. Owen, Leon C. Pang, Tristan Reuillon, Laurent J. M. Rigoreau, Huw Thomas, Julie A. Tucker, Lan-Zhen Wang, Ai-Ching Wong, Martin E. M. Noble, Stephen R. Wedge, Celine Cano
European Journal Of Medicinal Chemistry, May 2019 DOI: 10.1016/j.ejmech.2019.05.057 Journal Paper I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography Structural basis of the leukocyte integrin Mac-1 I-domain interactions with the platelet glycoprotein Ib Juliet Morgan, Muhammad Saleem, Ruiqi Ng, Caroline Armstrong, Szu S. Wong, Simon G. Caulton, Alice Fickling, Huw E. L. Williams, Adam D. Munday, José A. López, Mark S. Searle, Jonas Emsley
Blood Advances, 3 May 2019 DOI: 10.1182/bloodadvances.2018027011 Molecular basis for high-affinity agonist binding in GPCRs Tony Warne, Patricia C. Edwards, Andrew Dore, Andrew G. W. Leslie, Christopher G. Tate
Science, May 2019 DOI: 10.1126/science.aau5595 The intrinsic structure of poly(A) RNA determines the specificity of Pan2 and Caf1 deadenylases Terence T. L. Tang, James A. W. Stowell, Chris H. Hill, Lori Passmore
Nature Structural & Molecular Biology, 2 May 2019 DOI: 10.1038/s41594-019-0227-9 Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography The structure of lipopolysaccharide transport protein B (LptB) from Burkholderia pseudomallei Genady Pankov, Alice Dawson, William N. Hunter
Acta Crystallographica Section F Structural Biology Communications, 75 Apr 2019 DOI: 10.1107/S2053230X19001778 Lysyl-tRNA synthetase as a drug target in malaria and cryptosporidiosis Beatriz Baragaña, Barbara Forte, Ryan Choi, Stephen Nakazawa Hewitt, Juan A. Bueren-Calabuig, Joao Pedro Pisco, Caroline Peet, David M. Dranow, David A. Robinson, Chimed Jansen, Neil R. Norcross, Sumiti Vinayak, Mark Anderson, Carrie F. Brooks, Caitlin A. Cooper, Sebastian Damerow, Michael Delves, Karen Dowers, James Duffy, Thomas E. Edwards, Irene Hallyburton, Benjamin G. Horst, Matthew A. Hulverson, Liam Ferguson, María Belén Jiménez-Díaz, Rajiv S. Jumani, Donald D. Lorimer, Melissa S. Love, Steven Maher, Holly Matthews, Case W. Mcnamara, Peter Miller, Sandra O’neill, Kayode K. Ojo, Maria Osuna-Cabello, Erika Pinto, John Post, Jennifer Riley, Matthias Rottmann, Laura M. Sanz, Paul Scullion, Arvind Sharma, Sharon M. Shepherd, Yoko Shishikura, Frederick R. C. Simeons, Erin E. Stebbins, Laste Stojanovski, Ursula Straschil, Fabio K. Tamaki, Jevgenia Tamjar, Leah S. Torrie, Amélie Vantaux, Benoît Witkowski, Sergio Wittlin, Manickam Yogavel, Fabio Zuccotto, Iñigo Angulo-Barturen, Robert Sinden, Jake Baum, Francisco-Javier Gamo, Pascal Mäser, Dennis E. Kyle, Elizabeth A. Winzeler, Peter J. Myler, Paul G. Wyatt, David Floyd, David Matthews, Amit Sharma, Boris Striepen, Christopher D. Huston, David W. Gray, Alan H. Fairlamb, Andrei V. Pisliakov, Chris Walpole, Kevin D. Read, Wesley C. Van Voorhis, Ian H. Gilbert
Proceedings Of The National Academy Of Sciences, 116 Apr 2019 DOI: 10.1073/pnas.1814685116 Journal Paper I24-Microfocus Macromolecular Crystallography open access Revisiting SEPT7 and the slippage of β-strands in the septin family Gabriel Brognara, Humberto D'Muniz Pereira, Jose Brandao-Neto, Ana Paula Ulian Araujo, Richard Charles Garratt
Journal Of Structural Biology, Apr 2019 DOI: 10.1016/j.jsb.2019.04.015 Discovery of 2-phenoxyacetamides as inhibitors of the Wnt-depalmitoleating enzyme NOTUM from an X-ray fragment screen Benjamin Nicholas Atkinson, David Steadman, Yuguang Zhao, James Sipthorp, Luca Vecchia, Reinis Reinholds Ruza, Fiona Jeganathan, Georgie Lines, Sarah Frew, Amy Monaghan, Svend Kjaer, Magda Bictash, Yvonne Jones, Paul V. Fish
Medchemcomm, Apr 2019 DOI: 10.1039/C9MD00096H Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength) I24-Microfocus Macromolecular Crystallography open access (p)ppGpp regulates a bacterial nucleosidase by an allosteric two-domain switch Yong Everett Zhang, René Lysdal Bærentsen, Tobias Fuhrer, Uwe Sauer, Kenn Gerdes, Ditlev Egeskov Brodersen
Molecular Cell, Apr 2019 DOI: 10.1016/j.molcel.2019.03.035 Comparison of the structures and mechanisms of the pistol and hammerhead ribozymes Timothy J. Wilson, Yijin Liu, Nan Sheng Li, Qing Dai, Joseph A. Piccirilli, David M. J. Lilley
Journal Of The American Chemical Society, Apr 2019 DOI: 10.1021/jacs.9b02141 Journal Paper I24-Microfocus Macromolecular Crystallography open access Synthesis and structure–Activity relationship of 1-(5-isoquinolinesulfonyl)piperazine analogues as inhibitors of Mycobacterium tuberculosis IMPDH Vinayak Singh, Angela Pacitto, Stefano Donini, Davide M. Ferraris, Sándor Boros, Eszter Illyés, Bálint Szokol, Menico Rizzi, Tom L. Blundell, David B. Ascher, Janos Pato, Valerie Mizrahi
European Journal Of Medicinal Chemistry, Apr 2019 DOI: 10.1016/j.ejmech.2019.04.027 Journal Paper I24-Microfocus Macromolecular Crystallography open access FragLites - minimal, halogenated fragments displaying pharmacophore doublets. An efficient approach to druggability assessment and hit generation Daniel J. Wood, José Daniel Lopez-Fernandez, Leanne E. Knight, Islam Al-Khawaldeh, Conghao Gai, Shengyin Lin, Mathew P. Martin, Duncan C. Miller, Celine Cano, Jane A. Endicott, Ian R. Hardcastle, Martin E. M. Noble, Michael J. Waring
Journal Of Medicinal Chemistry, Mar 2019 DOI: 10.1021/acs.jmedchem.9b00304 Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography Members of the autophagy class III phosphatidylinositol 3-kinase complex I interact with GABARAP and GABARAPL1 via LIR motifs Åsa Birna Birgisdottir, Stephane Mouilleron, Zambarlal Bhujabal, Martina Wirth, Eva Sjøttem, Gry Evjen, Wenxin Zhang, Rebecca Lee, Nicola O’reilly, Sharon A. Tooze, Trond Lamark, Terje Johansen
Autophagy, 21 Mar 2019 DOI: 10.1080/15548627.2019.1581009 Journal Paper I02-Macromolecular Crystallography I03-Macromolecular Crystallography I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access High-resolution structure of cas13b and biochemical characterization of RNA targeting and cleavage Ian M. Slaymaker, Pablo Mesa, Max J. Kellner, Soumya Kannan, Edward Brignole, Jeremy Koob, Patricia R. Feliciano, Stefano Stella, Omar O. Abudayyeh, Jonathan S. Gootenberg, Jonathan Strecker, Guillermo Montoya, Feng Zhang
Cell Reports, 26 Mar 2019 DOI: 10.1016/j.celrep.2019.02.094 Journal Paper I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access Directed assembly of homo-pentameric cholera toxin B-subunit proteins into higher-order structures using coiled-coil appendages James F Ross, Gemma C. Wildsmith, Michael Johnson, Daniel Hurdiss, Kristian Hollingsworth, Rebecca F. Thompson, Majid Mosayebi, Chi H. Trinh, Emanuele Paci, Arwen R. Pearson, Michael E. Webb, W. Bruce Turnbull
Journal Of The American Chemical Society, Mar 2019 DOI: 10.1021/jacs.8b11480 Journal Paper I24-Microfocus Macromolecular Crystallography open access Conservation of the structural and functional architecture of encapsulated ferritins in bacteria and archaea Didi He, Cecilia Piergentili, Jennifer Ross, Emma Tarrant, Laura R. Tuck, C. Logan Mackay, Zak Mciver, Kevin J. Waldron, David J. Clarke, Jon Marles-Wright
Biochemical Journal, 476 Mar 2019 DOI: 10.1042/BCJ20180922 Journal Paper I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography Structural comparison of enterococcus faecalis and human thymidylate synthase complexes with the substrate dUMP and its analogue FdUMP provides hints about enzyme conformational variabilities Cecilia Pozzi, Stefania Ferrari, Rosaria Luciani, Giusy Tassone, Maria Costi, Stefano Mangani
Molecules, 24 Mar 2019 DOI: 10.3390/molecules24071257 Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I24-Microfocus Macromolecular Crystallography open access Control and regulation of S-Adenosylmethionine biosynthesis by the regulatory β subunit and quinolone-based compounds Jiraporn Panmanee, Jack Bradley-Clarke, Jose M. Mato, Paul M. O'Neill, Svetlana V. Antonyuk, Samar Hasnain
The Febs Journal, 255 Mar 2019 DOI: 10.1111/febs.14790 Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I24-Microfocus Macromolecular Crystallography open access How best to use photons Graeme Winter, Richard J. Gildea, Neil G. Paterson, John Beale, Markus Gerstel, Danny Axford, Melanie Vollmar, Katherine E. Mcauley, Robin L. Owen, Ralf Flaig, Alun W. Ashton, David Hall
Acta Crystallographica Section D Structural Biology, 75 Mar 2019 DOI: 10.1107/S2059798319003528 Journal Paper I03-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access A parsimonious mechanism of sugar dehydration by human GDP-mannose-4,6-dehydratase Martin Pfeiffer, Catrine Johansson, Tobias Krojer, Kathryn L. Kavanagh, Udo C. T. Oppermann, Bernd Nidetzky
Acs Catalysis, Mar 2019 DOI: 10.1021/acscatal.9b00064 Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I24-Microfocus Macromolecular Crystallography open access Peptide super-agonist enhances T-cell responses to melanoma Sarah A. E. Galloway, Garry Dolton, Meriem Attaf, Aaron Wall, Anna Fuller, Cristina Rius, Valentina Bianchi, Sarah Theaker, Angharad Lloyd, Marine E. Caillaud, Inge Marie Svane, Marco Donia, David K. Cole, Barbara Szomolay, Pierre Rizkallah, Andrew K. Sewell
Frontiers In Immunology, 10 Mar 2019 DOI: 10.3389/fimmu.2019.00319 Journal Paper I24-Microfocus Macromolecular Crystallography open access Structural basis for pH-dependent retrieval of ER proteins from the Golgi by the KDEL receptor Philipp Braeuer, Joanne L. Parker, Andreas Gerondopoulos, Iwan Zimmermann, Markus A. Seeger, Francis A. Barr, Simon Newstead
Science, 363 Mar 2019 DOI: 10.1126/science.aaw2859 Structural and functional analysis of glycoside hydrolase 138 enzymes targeting chain A galacturonic acid in the complex pectin rhamnogalacturonan II Aurore Labourel, Arnaud Basle, Jose Munoz-Munoz, Didier Ndeh, Simon Booth, Sergey A. Nepogodiev, Robert A. Field, Alan Cartmell
Journal Of Biological Chemistry, Mar 2019 DOI: 10.1074/jbc.RA118.006626 Journal Paper I03-Macromolecular Crystallography I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access Protein crystal presentation for synchrotron methods: acoustic techniques Christian George Burton
Mar 2019 Thesis I24-Microfocus Macromolecular Crystallography
Deciphering the molecular mechanism underpinning phage arbitrium communication systems Francisca Gallego Del Sol, José R. Penadés, Alberto Marina
Molecular Cell, Feb 2019 DOI: 10.1016/j.molcel.2019.01.025 Journal Paper I03-Macromolecular Crystallography I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access Structure-based in silico screening identifies a potent ebolavirus inhibitor from a traditional Chinese medicine library Faraz Shaikh, Yuguang Zhao, Luis Alvarez, Maria Iliopoulou, Christopher Thomas Lohans, Christopher J. Schofield, Sergi Padilla-Parra, Shirley W. I. Siu, Elizabeth Fry, Jingshan Ren, David I. Stuart
Journal Of Medicinal Chemistry, Feb 2019 DOI: 10.1021/acs.jmedchem.8b01328 Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength) I24-Microfocus Macromolecular Crystallography open access The structure of a prokaryotic viral envelope protein expands the landscape of membrane fusion proteins Kamel El Omari, Sai Li, Abhay Kotecha, Thomas S. Walter, Eduardo A. Bignon, Karl Harlos, Pentti Somerharju, Felix De Haas, Daniel K. Clare, Mika Molin, Felipe Hurtado, Mengqiu Li, Jonathan Grimes, Dennis H. Bamford, Nicole D. Tischler, Juha T. Huiskonen, Dave I. Stuart, Elina Roine
Nature Communications, 10 Feb 2019 DOI: 10.1038/s41467-019-08728-7 Journal Paper I02-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography Krios I-Titan Krios I at Diamond open access Mechanism of regulation and neutralization of the AtaR–AtaT toxin–antitoxin system Dukas Jurėnas, Laurence Van Melderen, Abel Garcia-Pino
Nature Chemical Biology, 29 Feb 2019 DOI: 10.1038/s41589-018-0216-z Design, 3D printing and validation of a novel low-cost high-capacity sitting-drop bridge for protein crystallization Sandeep K. Talapatra, Matthew R. Penny, Stephen T. Hilton, Frank Kozielski
Journal Of Applied Crystallography, 52 Feb 2019 DOI: 10.1107/S1600576718017545 Novel insights into P450 BM3 interactions with FDA-approved antifungal azole drugs Laura N. Jeffreys, Harshwardhan Poddar, Marina Golovanova, Colin Levy, Hazel M. Girvan, Kirsty J. Mclean, Michael W. Voice, David Leys, Andrew Munro
Scientific Reports, 9 Feb 2019 DOI: 10.1038/s41598-018-37330-y Journal Paper I03-Macromolecular Crystallography I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access In vitro and in vivo characterization of the multiple isoforms of Schistosoma mansoni Hypoxanthine-guanine phosphoribosyltransferases Larissa Romanello, Ana Eliza Zeraik, Adriano De Freitas Fernandes, Juliana Roberta Torini, Louise E. Bird, Joanne E. Nettleship, Heather Rada, Yamini Reddivari, Ray J. Owens, Vitor Hugo Balasco Serrão, Ricardo Demarco, Jose Brandao-Neto, Humberto D'Muniz Pereira
Molecular And Biochemical Parasitology, Feb 2019 DOI: 10.1016/j.molbiopara.2019.02.005 Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength) I24-Microfocus Macromolecular Crystallography Structural insights into tiny bacterial harpoons Diamond Light Source
Feb 2019 Science Highlight I02-Macromolecular Crystallography I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography
The cell cycle regulator GpsB functions as cytosolic adaptor for multiple cell wall enzymes Robert M. Cleverley, Zoe J. Rutter, Jeanine Rismondo, Federico Corona, Ho-Ching Tiffany Tsui, Fuad A. Alatawi, Richard A. Daniel, Sven Halbedel, Orietta Massidda, Malcolm E. Winkler, Richard J. Lewis
Nature Communications, 10 Jan 2019 DOI: 10.1038/s41467-018-08056-2 Journal Paper I03-Macromolecular Crystallography I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access Structural and functional characterization of a frataxin from a thermophilic organism Masooma Rasheed, Mostafa Jamshidiha, Rita Puglisi, Robert Yan, Ernesto Cota, Annalisa Pastore
The Febs Journal, Jan 2019 DOI: 10.1111/febs.14750 Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength) I24-Microfocus Macromolecular Crystallography open access The structure of the catalytic domain of the ATP synthase from Mycobacterium smegmatis is a target for developing antitubercular drugs Alice Tianbu Zhang, Martin G. Montgomery, Andrew G. W. Leslie, Gregory M. Cook, John E. Walker
Proceedings Of The National Academy Of Sciences, 60 Jan 2019 DOI: 10.1073/pnas.1817615116 Journal Paper I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography Crystal structure of the plant symporter STP10 illuminates sugar uptake mechanism in monosaccharide transporter superfamily Peter Aasted Paulsen, Tania F. Custodio, Bjorn Panyella Pedersen
Nature Communications, 10 Jan 2019 DOI: 10.1038/s41467-018-08176-9 Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access Crystal structure of the human cannabinoid receptor CB2 Xiaoting Li, Tian Hua, Kiran Vemuri, Jo-Hao Ho, Yiran Wu, Lijie Wu, Petr Popov, Othman Benchama, Nikolai Zvonok, K’ara Locke, Lu Qu, Gye Won Han, Malliga R. Iyer, Resat Cinar, Nathan J. Coffey, Jingjing Wang, Meng Wu, Vsevolod Katritch, Suwen Zhao, George Kunos, Laura M. Bohn, Alexandros Makriyannis, Raymond C. Stevens, Zhi-Jie Liu
Cell, Jan 2019 DOI: 10.1016/j.cell.2018.12.011 Architecture of microcin B17 synthetase: an octameric protein complex converting a ribosomally synthesized peptide into a DNA gyrase poison Dmitry Ghilarov, Clare E. M. Stevenson, Dmitrii Y. Travin, Julia Piskunova, Marina Serebryakova, Anthony Maxwell, David M. Lawson, Konstantin Severinov
Molecular Cell, Jan 2019 DOI: 10.1016/j.molcel.2018.11.032 Journal Paper I02-Macromolecular Crystallography I03-Macromolecular Crystallography I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access Structural basis for prodrug recognition by the SLC15 family of proton-coupled peptide transporters Gurdeep S. Minhas, Simon Newstead
Proceedings Of The National Academy Of Sciences, 116 Jan 2019 DOI: 10.1073/pnas.1813715116 Journal Paper I24-Microfocus Macromolecular Crystallography open access An esterase‐like lyase catalyzes acetate elimination in spirotetronate/spirotetramate biosynthesis Nicholas R. Lees, Li-Chen Han, Matthew J. Byrne, Jonathan Davies, Alice E. Parnell, Pollyanna E. Moreland, James E. M. Stach, Marc W. Van Der Kamp, Christine L. Willis, Paul R. Race
Angewandte Chemie International Edition, Jan 2019 DOI: 10.1002/anie.201812105 Journal Paper I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography