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Nature Microbiology, 344 Dec 2017 DOI: 10.1038/s41564-017-0079-1 Journal Paper I02-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I24-Microfocus Macromolecular Crystallography A rapidly-reversible absorptive and emissive vapochromic Pt(II) pincer-based chemical sensor M. J. Bryant, J. M. Skelton, L. E. Hatcher, C. Stubbs, E. Madrid, A. R. Pallipurath, L. H. Thomas, Ch. H. Woodall, J. Christensen, S. Fuertes, T. P. Robinson, C. M. Beavers, S. J. Teat, M. Warren, F. Pradaux-Caggiano, A. Walsh, F. Marken, D. R. Carbery, S. C. Parker, N. B. Mckeown, R. Malpass-Evans, M. Carta, P. R. Raithby
Nature Communications, 8 Dec 2017 DOI: 10.1038/s41467-017-01941-2 Journal Paper I24-Microfocus Macromolecular Crystallography open access Molecular basis of AKAP79 regulation by calmodulin Neha Patel, Florian Stengel, Ruedi Aebersold, Matthew G. Gold
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Acs Nano, Nov 2017 DOI: 10.1021/acsnano.7b06980 The molecular basis of phosphite and hypophosphite recognition by ABC-transporters Claudine Bisson, Nathan B. P. Adams, Ben Stevenson, Amanda A. Brindley, Despo Polyviou, Thomas S. Bibby, Patrick J. Baker, C. Neil Hunter, Andrew Hitchcock
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Proceedings Of The National Academy Of Sciences, 23 Nov 2017 DOI: 10.1073/pnas.1712153114 Journal Paper I03-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography Crystal structure of NucB, a biofilm-degrading endonuclease Arnaud Basle, Lorraine Hewitt, Alan Koh, Heather K. Lamb, Paul Thompson, J. Grant Burgess, Michael J. Hall, Alastair R. Hawkins, Heath Murray, Richard J. Lewis
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Proceedings Of The National Academy Of Sciences, 63 Nov 2017 DOI: 10.1073/pnas.1710727114 Journal Paper I24-Microfocus Macromolecular Crystallography open access Modelling the free energy profile of the mitochondrial ADP/ATP carrier Roger Springett, Martin S. King, Paul G. Crichton, Edmund R. S. Kunji
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The cubicon method for concentrating membrane proteins in the cubic mesophase Pikyee Ma, Dietmar Weichert, Luba A. Aleksandrov, Timothy J. Jensen, John R. Riordan, Xiangyu Liu, Brian K. Kobilka, Martin Caffrey
Nature Protocols, 12 Aug 2017 DOI: 10.1038/nprot.2017.057 Journal Paper I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography Frutapin, a lectin from Artocarpus incisa (breadfruit): cloning, expression and molecular insights Felipe Domingos De Sousa, Bruno Bezerra Da Silva, Gilvan Pessoa Furtado, Igor De Sa Carneiro, Marina Duarte Pinto Lobo, Yiwei Guan, Jingxu Guo, Alun R. Coker, Marcos Roberto Lourenzoni, Maria Izabel Florindo Guedes, James S. Owen, David J. Abraham, Ana Cristina De Oliveira Monteiro-Moreira, Renato De Azevedo Moreira
Bioscience Reports, Jul 2017 DOI: 10.1042/BSR20170969 Journal Paper I02-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access Idiosyncratic Mòjiāng virus attachment glycoprotein directs a host-cell entry pathway distinct from genetically related henipaviruses Ilona Rissanen, Asim A. Ahmed, Kristopher Azarm, Shannon Beaty, Patrick Hong, Sham Nambulli, W. Paul Duprex, Benhur Lee, Thomas a. Bowden
Nature Communications, 8 Jul 2017 DOI: 10.1038/ncomms16060 Journal Paper I24-Microfocus Macromolecular Crystallography open access Structures of human A1 and A2A adenosine receptors with xanthines reveal determinants of selectivity Robert K. Y. Cheng, Elena Segala, Nathan Robertson, Francesca Deflorian, Andrew S. Dore, James C. Errey, Cédric Fiez-Vandal, Fiona H. Marshall, Robert M. Cooke
Structure, Jul 2017 DOI: 10.1016/j.str.2017.06.012 Structural insights into the mechanism of the membrane integral N-acyltransferase step in bacterial lipoprotein synthesis Maciej Wiktor, Dietmar Weichert, Nicole Howe, Chia-Ying Huang, Vincent Olieric, Coilín Boland, Jonathan Bailey, Lutz Vogeley, Phillip J. Stansfeld, Nienke Buddelmeijer, Meitian Wang, Martin Caffrey
Nature Communications, 8 Jul 2017 DOI: 10.1038/ncomms15952 Journal Paper I24-Microfocus Macromolecular Crystallography open access NEK1 kinase domain structure and its dynamic protein interactome after exposure to Cisplatin Talita D. Melo-Hanchuk, Priscila Ferreira Slepicka, Gabriela Vaz Meirelles, Fernanda Luisa Basei, Diogo Ventura Lovato, Daniela Campos Granato, Bianca Alves Pauletti, Romenia Ramos Domingues, Adriana Franco Paes Leme, Alessandra Luiza Pelegrini, Guido Lenz, Stefan Knapp, Jonathan M. Elkins, Jörg Kobarg
Scientific Reports, 7 Jul 2017 DOI: 10.1038/s41598-017-05325-w Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength) I24-Microfocus Macromolecular Crystallography open access Beating the sugar rush Diamond Light Source
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Structural biology and the design of new therapeutics: from HIV and cancer to mycobacterial infections Sherine E. Thomas, Vitor Mendes, So Yeon Kim, Sony Malhotra, Bernardo Ochoa-Montano, Michal Blaszczyk, Tom L. Blundell
Journal Of Molecular Biology, June 2017 DOI: 10.1016/j.jmb.2017.06.014 Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access Structural analyses of von Willebrand factor C domains of collagen 2A and CCN3 reveal an alternative mode of binding to bone morphogenetic protein-2 Emma-Ruoqi Xu, Emily E. Blythe, Gerhard Fischer, Marko Hyvonen
Journal Of Biological Chemistry, June 2017 DOI: 10.1074/jbc.M117.788992 Journal Paper I02-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I24-Microfocus Macromolecular Crystallography open access Serial Synchrotron X-Ray Crystallography (SSX) Kay Diederichs, Meitian Wang
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Structure, June 2017 DOI: 10.1016/j.str.2017.05.005 Journal Paper I02-Macromolecular Crystallography I03-Macromolecular Crystallography I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access Structural analysis of MDM2 RING separates degradation from regulation of p53 transcription activity Koji Nomura, Marta Klejnot, Dominika Kowalczyk, Andreas K. Hock, Gary J. Sibbet, Karen H. Vousden, Danny T. Huang
Nature Structural & Molecular Biology, 62 May 2017 DOI: 10.1038/nsmb.3414 Rules of engagement between αvβ6 integrin and foot-and-mouth disease virus Abhay Kotecha, Quan Wang, Xianchi Dong, Serban L. Ilca, Marina Ondiviela, Rao Zihe, Julian Seago, Bryan Charleston, Elizabeth E. Fry, Nicola G. A. Abrescia, Timothy A. Springer, Juha T. Huiskonen, David I. Stuart
Nature Communications, 8 May 2017 DOI: 10.1038/ncomms15408 Journal Paper I24-Microfocus Macromolecular Crystallography open access The structure of the guanidine-II riboswitch Lin Huang, Jia Wang, David M. J. Lilley
Cell Chemical Biology, May 2017 DOI: 10.1016/j.chembiol.2017.05.014 Journal Paper I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access Identification and characterization of a heterotrimeric archaeal DNA polymerase holoenzyme Jiangyu Yan, Thomas R. Beattie, Adriana L. Rojas, Kelly Schermerhorn, Tamzin Gristwood, Jonathan C. Trinidad, Sonja V. Albers, Pietro Roversi, Andrew F. Gardner, Nicola G. A. Abrescia, Stephen D. Bell
Nature Communications, 8 May 2017 DOI: 10.1038/ncomms15075 Journal Paper I02-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access Nanoscale characterisation and neutron damage testing of organic semiconductors Giuseppe Maria Paternò
May 2017 Thesis I24-Microfocus Macromolecular Crystallography open access
Crystal structure of the GLP-1 receptor bound to a peptide agonist Ali Jazayeri, Mathieu Rappas, Alastair J. H. Brown, James Kean, James C. Errey, Nathan J. Robertson, Cédric Fiez-Vandal, Stephen P. Andrews, Miles Congreve, Andrea Bortolato, Jonathan S. Mason, Asma H. Baig, Iryna Teobald, Andrew S. Dore, Malcolm Weir, Robert M. Cooke, Fiona H. Marshall
Nature, 546 May 2017 DOI: 10.1038/nature22800 Low-dose fixed-target serial synchrotron crystallography Robin L. Owen, Danny Axford, Darren A. Sherrell, Anling Kuo, Oliver P. Ernst, Eike Schulz, R. J. Dwayne Miller, Henrike Mueller-Werkmeister
Acta Crystallographica Section D Structural Biology, 73 Apr 2017 DOI: 10.1107/S2059798317002996 Journal Paper I24-Microfocus Macromolecular Crystallography open access Structural insight into allosteric modulation of protease-activated receptor 2 Robert K. Y. Cheng, Cédric Fiez-Vandal, Oliver Schlenker, Karl Edman, Birte Aggeler, Dean G. Brown, Giles A. Brown, Robert M. Cooke, Christoph E. Dumelin, Andrew S. Dore, Stefan Geschwindner, Christoph Grebner, Nils-Olov Hermansson, Ali Jazayeri, Patrik Johansson, Louis Leong, Rudi Prihandoko, Mathieu Rappas, Holly Soutter, Arjan Snijder, Linda Sundström, Benjamin Tehan, Peter Thornton, Dawn Troast, Giselle Wiggin, Andrei Zhukov, Fiona H. Marshall, Niek Dekker
Nature, 545 Apr 2017 DOI: 10.1038/nature22309 Investigation of the mycobacterial enzyme HsaD as a potential novel target for anti-tubercular agents using a fragment-based drug design approach Ali Ryan, Elena Polycarpou, Nathan A. Lack, Dimitrios Evangelopoulos, Christian Sieg, Alice Halman, Sanjib Bhakta, Olga Eleftheriadou, Timothy D. Mchugh, Sebastian Keany, Edward Lowe, Romain Ballet, Areej Abuhammad, William R. Jacobs, Alessio Ciulli, Edith Sim
British Journal Of Pharmacology, Apr 2017 DOI: 10.1111/bph.13810 Journal Paper I03-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography Structural insights into the ene-reductase synthesis of profens John Waller, Helen Toogood, Vijaykumar Karuppiah, Nicholas John William Rattray, David Mansell, David Leys, John M. Gardiner, Anna Fryszkowska, Syed Ahmed, Rakeshwar Bandichhor, Prashanth Reddy Gaddameedhi, Nigel Scrutton
Organic & Biomolecular Chemistry, Apr 2017 DOI: 10.1039/C7OB00163K Journal Paper I03-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access Structural and functional insight into human O-GlcNAcase Christian Roth, Sherry Chan, Wendy A. Offen, Glyn R. Hemsworth, Lianne I. Willems, Dustin T. King, Vimal Varghese, Robert Britton, David J. Vocadlo, Gideon J. Davies
Nature Chemical Biology, 258 Mar 2017 DOI: 10.1038/nchembio.2358 Journal Paper I02-Macromolecular Crystallography I03-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography Catalytic determinants of alkene production by the cytochrome P450 peroxygenase OleTJE Sarah Matthews, James D. Belcher, Kang Lan Tee, Hazel M. Girvan, Kirsty J. Mclean, Stephen E. J. Rigby, Colin W. Levy, David Leys, David A. Parker, Richard T. Blankley, Andrew Munro
Journal Of Biological Chemistry, 292 Mar 2017 DOI: 10.1074/jbc.M116.762336 Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I24-Microfocus Macromolecular Crystallography open access Complex pectin metabolism by gut bacteria reveals novel catalytic functions Didier Ndeh, Artur Rogowski, Alan Cartmell, Ana S. Luis, Arnaud Basle, Joseph Gray, Immacolata Venditto, Jonathon Briggs, Xiaoyang Zhang, Aurore Labourel, Nicolas Terrapon, Fanny Buffetto, Sergey Nepogodiev, Yao Xiao, Robert A. Field, Yanping Zhu, Malcolm A. O’neill, Breeanna R. Urbanowicz, William S. York, Gideon J. Davies, D. Wade Abbott, Marie-Christine Ralet, Eric C. Martens, Bernard Henrissat, Harry J. Gilbert
Nature, 411 Mar 2017 DOI: 10.1038/nature21725 Journal Paper I02-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I24-Microfocus Macromolecular Crystallography Structure determination of a major facilitator peptide transporter: Inward facing PepTSt from Streptococcus thermophilus crystallized in space group P3121 Esben M. Quistgaard, Maria Martinez Molledo, Christian Low
Plos One, 12 Mar 2017 DOI: 10.1371/journal.pone.0173126 Journal Paper I02-Macromolecular Crystallography I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access 19F-NMR reveals the role of mobile loops in product and inhibitor binding by the São Paulo metallo-β-lactamase Martine I. Abboud, Philip Hinchliffe, Jurgen Brem, Robert Macsics, Inga Pfeffer, Anne Makena, Klaus-Daniel Umland, Anna M. Rydzik, Guo-Bo Li, James Spencer, Timothy D. W. Claridge, Christopher J. Schofield
Angewandte Chemie International Edition, 5 Mar 2017 DOI: 10.1002/anie.201612185 Journal Paper I24-Microfocus Macromolecular Crystallography open access An allosteric transport mechanism for the AcrAB-TolC Multidrug Efflux Pump Zhao Wang, Guizhen Fan, Corey F Hryc, James N. Blaza, Irina I. Serysheva, Michael F Schmid, Wah Chiu, Ben Luisi, Dijun Du
Elife, 6 Mar 2017 DOI: 10.7554/eLife.24905 Journal Paper I24-Microfocus Macromolecular Crystallography Krios I-Titan Krios I at Diamond open access PCNA dependent cellular activities tolerate dramatic perturbations in PCNA client interactions Rosemary H. C. Wilson, Antonio Biasutto, Lihao Wang, Roman Fischer, Emma L. Baple, Andrew H. Crosby, Erika J. Mancini, Catherine M. Green
Dna Repair, 50 Feb 2017 DOI: 10.1016/j.dnarep.2016.12.003 Journal Paper I03-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access Structural insights into human angiogenin variants implicated in Parkinson’s disease and Amyotrophic Lateral Sclerosis William J. Bradshaw, Saima Rehman, Tram T. K. Pham, Nethaji Thiyagarajan, Rebecca L. Lee, Vasanthavel Subramanian, K . Ravi Acharya
Scientific Reports, 7 Feb 2017 DOI: 10.1038/srep41996 Journal Paper I02-Macromolecular Crystallography I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access Development of potent, selective SRPK1 inhibitors as potential topical therapeutics for neovascular eye disease Jennifer Batson, Hamish D. Toop, Clara Redondo, Roya Babaebi-Jadidi, Apirat Chaikuad, Stephen F. Wearmouth, Brian Gibbons, Claire Allen, Cynthia Tallant, Jingxue Zhang, Chunyun Du, Jules Hancox, Tom Hawtrey, Joana Da Rocha, Renate Griffith, Stefan Knapp, David O. Bates, Jonathan C. Morris
Acs Chemical Biology, Feb 2017 DOI: 10.1021/acschembio.6b01048 Journal Paper I02-Macromolecular Crystallography I03-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access The identification of novel acid isostere based inhibitors of the VPS10P family sorting receptor Sortilin Jacob Lauwring Andersen, Samsa Lindberg, Morten Langgård, Philip J. Maltas, Lars Christian Biilmann Rønn, Christoffer Bundgaard, Dorthe Strandbygaard, Søren Thirup, Stephen P Watson
Bioorganic & Medicinal Chemistry Letters, Feb 2017 DOI: 10.1016/j.bmcl.2017.02.028 Structural and functional analysis of two small leucine-rich repeat proteoglycans, fibromodulin and chondroadherin Patricia Paracuellos, Sebastian Kalamajski, Arkadiusz Bonna, Dominique Bihan, Richard W. Farndale, Erhard Hohenester
Matrix Biology, Feb 2017 DOI: 10.1016/j.matbio.2017.02.002 Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength) I24-Microfocus Macromolecular Crystallography open access The complete structure of an activated open sodium channel Altin Sula, Jennifer Booker, Leo C. T. Ng, Claire Naylor, Paul G. Decaen, B. A. Wallace
Nature Communications, 8 Feb 2017 DOI: 10.1038/ncomms14205 Journal Paper I24-Microfocus Macromolecular Crystallography open access A natural, single-residue substitution yields a less active peptaibiotic: the structure of bergofungin A at atomic resolution Renate Gessmann, Danny Axford, Hans Brückner, Albrecht Berg, Kyriacos Petratos
Acta Crystallographica Section F Structural Biology Communications, 73 Feb 2017 DOI: 10.1107/S2053230X17001236 Structure of a lipid A phosphoethanolamine transferase suggests how conformational changes govern substrate binding Anandhi Anandan, Genevieve L. Evans, Karmen Condic-Jurkic, Megan L. O’mara, Constance M. John, Nancy J. Phillips, Gary A. Jarvis, Siobhan S. Wills, Keith A. Stubbs, Isabel Moraes, Charlene M. Kahler, Alice Vrielink
Proceedings Of The National Academy Of Sciences, Feb 2017 DOI: 10.1073/pnas.1612927114 Journal Paper I02-Macromolecular Crystallography I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography Structural mechanism underpinning cross-reactivity of a CD8+ T-cell clone that recognizes a peptide derived from human telomerase reverse transcriptase David K. Cole, Hugo A. Van Den Berg, Angharad Lloyd, Michael D. Crowther, Konrad Beck, Julia Ekeruche-Makinde, John J. Miles, Anna M. Bulek, Garry Dolton, Andrea J. Schauenburg, Aaron Wall, Anna Fuller, Mathew Clement, Bruno Laugel, Pierre J. Rizkallah, Linda Wooldridge, Andrew K. Sewell
Journal Of Biological Chemistry, 292 Jan 2017 DOI: 10.1074/jbc.M116.741603 Journal Paper B23-Circular Dichroism I02-Macromolecular Crystallography I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access Structural basis for nutrient acquisition by dominant members of the human gut microbiota Amy J. Glenwright, Karunakar R. Pothula, Satya P. Bhamidimarri, Dror S. Chorev, Arnaud Basle, Susan J. Firbank, Hongjun Zheng, Carol V. Robinson, Mathias Winterhalter, Ulrich Kleinekathöfer, David N. Bolam, Bert Van Den Berg
Nature, 541 Jan 2017 DOI: 10.1038/nature20828 Journal Paper I03-Macromolecular Crystallography I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography MraY–antibiotic complex reveals details of tunicamycin mode of action Jonna K Hakulinen, Jenny Hering, Gisela Brändén, Hongming Chen, Arjan Snijder, Margareta Ek, Patrik Johansson
Nature Chemical Biology, Jan 2017 DOI: 10.1038/nchembio.2270 Journal Paper I24-Microfocus Macromolecular Crystallography open access Macrocyclized extended peptides: Inhibiting the substrate-recognition domain of tankyrase Wenshu Xu, Yu Heng Lau, Gerhard Fischer, Yaw Sing Tan, Anasuya Chattopadhyay, Marc De La Roche, Marko Hyvonen, Chandra S. Verma, David R. Spring, Laura S. Itzhaki
Journal Of The American Chemical Society, Jan 2017 DOI: 10.1021/jacs.6b10234 Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength) I24-Microfocus Macromolecular Crystallography open access