Crystal structure and enzymology of Solanum tuberosum Inositol Tris/Tetrakisphosphate Kinase 1 (StITPK1) Hayley L. Whitfield, Raquel Faba Rodriguez, Megan L. Shipton, Arthur W. H. Li, Andrew M. Riley, Barry V. I. Potter, Andrew M. Hemmings, Charles A. Brearley
Biochemistry, Dec 2023 DOI: 10.1021/acs.biochem.3c00404 Journal Paper I24-Microfocus Macromolecular Crystallography open access The bacterial replication origin BUS promotes nucleobase capture Simone Pelliciari, Salomé Bodet-Lefèvre, Stepan Fenyk, Daniel Stevens, Charles Winterhalter, Frederic D. Schramm, Sara Pintar, Daniel R. Burnham, George Merces, Tomas T. Richardson, Yumiko Tashiro, Julia Hubbard, Hasan Yardimci, Aravindan Ilangovan, Heath Murray
Nature Communications, 14 Dec 2023 DOI: 10.1038/s41467-023-43823-w Journal Paper I24-Microfocus Macromolecular Crystallography Krios I-Titan Krios I at Diamond open access Acetylation regulates the oligomerization state and activity of RNase J, the Helicobacter pylori major ribonuclease Alejandro Tejada-Arranz, Aleksei Lulla, Maxime Bouilloux-Lafont, Evelyne Turlin, Xue-Yuan Pei, Thibaut Douché, Mariette Matondo, Allison H. Williams, Bertrand Raynal, Ben F. Luisi, Hilde De Reuse
Nature Communications, 14 Dec 2023 DOI: 10.1038/s41467-023-43825-8 Journal Paper I24-Microfocus Macromolecular Crystallography open access GluD1 binds GABA and controls inhibitory plasticity Laura Piot, Christina Heroven, Simon Bossi, Joseph Zamith, Tomas Malinauskas, Chris Johnson, Doris Wennagel, David Stroebel, Cécile Charrier, A. Radu Aricescu, Laetitia Mony, Pierre Paoletti
Science, Dec 2023 DOI: 10.1126/science.adf3406 Journal Paper I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography Aster-dependent nonvesicular transport facilitates dietary cholesterol uptake Alessandra Ferrari, Emily Whang, Xu Xiao, John P. Kennelly, Beatriz Romartinez-Alonso, Julia J. Mack, Thomas Weston, Kai Chen, Youngjae Kim, Marcus J. Tol, Lara Bideyan, Alexander Nguyen, Yajing Gao, Liujuan Cui, Alexander H. Bedard, Jaspreet Sandhu, Stephen D. Lee, Louise Fairall, Kevin J. Williams, Wenxin Song, Priscilla Munguia, Robert A. Russell, Martin G. Martin, Michael E. Jung, Haibo Jiang, John W. R. Schwabe, Stephen G. Young, Peter Tontonoz
Science, 382 Nov 2023 DOI: 10.1126/science.adf0966 Identification and optimization of novel inhibitors of the polyketide synthase 13 thioesterase domain with antitubercular activity Simon R. Green, Caroline Wilson, Thomas C. Eadsforth, Avinash S. Punekar, Fabio K. Tamaki, Gavin Wood, Nicola Caldwell, Barbara Forte, Neil R. Norcross, Michael Kiczun, John M. Post, Eva Maria Lopez-Román, Curtis A. Engelhart, Iva Lukac, Fabio Zuccotto, Ola Epemolu, Helena I. M. Boshoff, Dirk Schnappinger, Chris Walpole, Ian H. Gilbert, Kevin D. Read, Paul G. Wyatt, Beatriz Baragaña
Journal Of Medicinal Chemistry, Nov 2023 DOI: 10.1021/acs.jmedchem.3c01514 Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength) I24-Microfocus Macromolecular Crystallography open access Discovery of PFI-6, a small-molecule chemical probe for the YEATS domain of MLLT1 and MLLT3 Brigitt Raux, Karly A. Buchan, James Bennett, Thomas Christott, Matthew S. Dowling, Gillian Farnie, Oleg Fedorov, Vicki Gamble, Carina Gileadi, Charline Giroud, Kilian V. M. Huber, Magdalena Korczynska, Chris Limberakis, Arjun Narayanan, Dafydd R. Owen, Laura Diaz Saez, Ingrid A. Stock, Allyn T. Londregan
Bioorganic & Medicinal Chemistry Letters, 87 Nov 2023 DOI: 10.1016/j.bmcl.2023.129546 Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength) I24-Microfocus Macromolecular Crystallography Discovery of a novel benzodiazepine series of Cbl-b inhibitors for the enhancement of antitumor immunity Jeffrey A. Boerth, Alex J. Chinn, Marianne Schimpl, Gayathri Bommakanti, Christina Chan, Erin L. Code, Kathryn A. Giblin, Andrea Gohlke, Catherine S. Hansel, Meizhong Jin, Stefan L. Kavanagh, Michelle L. Lamb, Jordan S. Lane, Carrie J. B. Larner, Adelphe M. Mfuh, Rachel K. Moore, Taranee Puri, Taylor R. Quinn, Minwei Ye, Kevin J. Robbins, Miguel Gancedo-Rodrigo, Haoran Tang, Jarrod Walsh, Jamie Ware, Gail L. Wrigley, Iswarya Karapa Reddy, Yun Zhang, Neil P. Grimster
Acs Medicinal Chemistry Letters, 10 Nov 2023 DOI: 10.1021/acsmedchemlett.3c00439 Journal Paper I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography Mechanism of substrate binding and transport in BASS transporters Patrick Becker, Fiona Naughton, Deborah Brotherton, Raul Pacheco-Gomez, Oliver Beckstein, Alexander D. Cameron
Elife, 12 Nov 2023 DOI: 10.7554/eLife.89167.3 Journal Paper I24-Microfocus Macromolecular Crystallography open access Expanding the anti-Phl p 7 antibody toolkit: an anti-idiotype nanobody inhibitor Susan K. Vester, Anna M. Davies, Rebecca L. Beavil, Balraj S. Sandhar, Andrew J. Beavil, Hannah J. Gould, Brian Sutton, James M. Mcdonnell
Antibodies, 12 Nov 2023 DOI: 10.3390/antib12040075 Journal Paper I24-Microfocus Macromolecular Crystallography open access Biochemical and X-ray analyses of the players involved in the faRel 2/ aTfaRel 2 toxin–antitoxin operon Lucia Dominguez-Molina, Ariel Talavera, Albinas Cepauskas, Tatsuaki Kurata, Dannele Echemendia-Blanco, Vasili Hauryliuk, Abel Garcia-Pino
Acta Crystallographica Section F Structural Biology Communications, 79 Oct 2023 DOI: 10.1107/S2053230X23007288 Journal Paper I24-Microfocus Macromolecular Crystallography open access Chemical proteomics reveals the target landscape of 1,000 kinase inhibitors Maria Reinecke, Paul Brear, Larsen Vornholz, Benedict-Tilmann Berger, Florian Seefried, Stephanie Wilhelm, Patroklos Samaras, Laszlo Gyenis, David William Litchfield, Guillaume Médard, Susanne Müller, Jürgen Ruland, Marko Hyvonen, Mathias Wilhelm, Bernhard Kuster
Nature Chemical Biology, 65 Oct 2023 DOI: 10.1038/s41589-023-01459-3 Journal Paper I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access A versatile approach to high-density microcrystals in lipidic cubic phase for room-temperature serial crystallography James Birch, Tristan O. C. Kwan, Peter J. Judge, Danny Axford, Pierre Aller, Agata Butryn, Rosana Reis, Juan F. Bada Juarez, Javier Vinals, Robin L. Owen, Eriko Nango, Rie Tanaka, Kensuke Tono, Yasumasa Joti, Tomoyuki Tanaka, Shigeki Owada, Michihiro Sugahara, So Iwata, Allen M. Orville, Anthony Watts, Isabel Moraes
Journal Of Applied Crystallography, 56 Oct 2023 DOI: 10.1107/S1600576723006428 Journal Paper I24-Microfocus Macromolecular Crystallography open access Evolutionary adaptation from hydrolytic to oxygenolytic catalysis at the α/β-hydrolase fold Soi Bui, Sara Gil-Guerrero, Peter Van Der Linden, Philippe Carpentier, Matteo Ceccarelli, Pablo G. Jambrina, Roberto A. Steiner
Chemical Science, 14 Oct 2023 DOI: 10.1039/D3SC03044J Journal Paper I02-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I24-Microfocus Macromolecular Crystallography open access Molecular mechanism of STIL coiled-coil domain oligomerization Mai Shamir, Freddie J. O. Martin, Derek N. Woolfson, Assaf Friedler
International Journal Of Molecular Sciences, 24 Oct 2023 DOI: 10.3390/ijms241914616 Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access The adaptability of the ion binding site by the Ag(I)/Cu(I) periplasmic chaperone SilF Ryan M. Lithgo, Marko Hanževački, Gemma Harris, Jos J. A. G. Kamps, Ellie Holden, Tiberiu-Marius Gianga, Justin L. P. Benesch, Christof M. Jäger, Anna K. Croft, Rohanah Hussain, Jon L. Hobman, Allen M. Orville, Andrew Quigley, Stephen B. Carr, David J. Scott
Journal Of Biological Chemistry, 64 Oct 2023 DOI: 10.1016/j.jbc.2023.105331 Journal Paper B23-Circular Dichroism I24-Microfocus Macromolecular Crystallography open access Biocatalysis in drug design: engineered reductive aminases (RedAms) are used to access chiral building blocks with multiple stereocenters Arnau Rué Casamajo, Yuqi Yu, Christian Schnepel, Charlotte Morrill, Rhys Barker, Colin W. Levy, James Finnigan, Victor Spelling, Kristina Westerlund, Mark Petchey, Robert J. Sheppard, Richard J. Lewis, Francesco Falcioni, Martin A. Hayes, Nicholas J. Turner
Journal Of The American Chemical Society, 145 Oct 2023 DOI: 10.1021/jacs.3c07010 Journal Paper I24-Microfocus Macromolecular Crystallography open access Mechanism of substrate hydrolysis by the human nucleotide pool sanitiser DNPH1 Neil J. Rzechorzek, Simone Kunzelmann, Andrew G. Purkiss, Mariana Silva Dos Santos, James I. Macrae, Ian A. Taylor, Kasper Fugger, Stephen C. West
Nature Communications, 14 Oct 2023 DOI: 10.1038/s41467-023-42544-4 Journal Paper I03-Macromolecular Crystallography I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access Molecular mechanism of decision-making in glycosaminoglycan biosynthesis Douglas Sammon, Anja Krueger, Marta Busse-Wicher, Rhodri Marc Morgan, Stuart M. Haslam, Benjamin Schumann, David C. Briggs, Erhard Hohenester
Nature Communications, 14 Oct 2023 DOI: 10.1038/s41467-023-42236-z Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength) I24-Microfocus Macromolecular Crystallography open access Structural characterization of human urea transporters UT-A and UT-B and their inhibition Gamma Chi, Larissa Dietz, Haiping Tang, Matthew Snee, Andreea Scacioc, Dong Wang, Gavin Mckinley, Shubhashish M. m. Mukhopadhyay, Ashley C. W. Pike, Rod Chalk, Nicola A. Burgess-Brown, Jean-Pierre Timmermans, Wouter Van Putte, Carol V. Robinson, Katharina L. Duerr
Science Advances, 9 Sept 2023 DOI: 10.1126/sciadv.adg8229 Journal Paper I24-Microfocus Macromolecular Crystallography open access Natural alternative heme-environments allow efficient peroxygenase activity by cytochrome P450 monooxygenases Ana C. Ebrecht, Martha S. Smit, Diederik J. Opperman
Catalysis Science & Technology, 30 Sept 2023 DOI: 10.1039/D3CY01207G Journal Paper I24-Microfocus Macromolecular Crystallography open access Se-MAG Is a convenient additive for experimental phasing and structure determination of membrane proteins crystallised by the lipid cubic phase (In Meso) method Coiiín Boland, Chia-Ying Huang, Shiva Shanker Kaki, Meitian Wang, Vincent Olieric, Martin Caffrey
Crystals, 13 Sept 2023 DOI: 10.3390/cryst13091402 Journal Paper I24-Microfocus Macromolecular Crystallography open access Crystal structures and molecular dynamics simulations of a humanised antibody fragment at acidic to basic pH Jiazhi Tang, Cheng Zhang, Nuria Codina Castillo, Christophe J. Lalaurie, Xin Gao, Paul A. Dalby, Frank Kozielski
Scientific Reports, 13 Sept 2023 DOI: 10.1038/s41598-023-42698-7 Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength) I24-Microfocus Macromolecular Crystallography open access Cysteine enrichment mediates co-option of uricase in reptilian skin and transition to uricotelism Giulia Mori, Anastasia Liuzzi, Luca Ronda, Michele Di Palma, Magda S. Chegkazi, Soi Bui, Mitla Garcia-Maya, Jasmine Ragazzini, Marco Malatesta, Emanuele Della Monica, Claudio Rivetti, Parker B. Antin, Stefano Bettati, Roberto A. Steiner, Riccardo Percudani
Molecular Biology And Evolution, 40 Sept 2023 DOI: 10.1093/molbev/msad200 Journal Paper I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access BtuB TonB-dependent transporters and BtuG surface lipoproteins form stable complexes for vitamin B12 uptake in gut Bacteroides Javier Abellon-Ruiz, Kalyanashis Jana, Augustinas Silale, Andrew M. Frey, Arnaud Basle, Matthias Trost, Ulrich Kleinekathöfer, Bert Van Den Berg
Nature Communications, 14 Aug 2023 DOI: 10.1038/s41467-023-40427-2 Journal Paper I03-Macromolecular Crystallography I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access Automating the crystallography jigsaw puzzle Diamond Light Source
Aug 2023 Science Highlight I24-Microfocus Macromolecular Crystallography
5-substituted pyridine-2,4-dicarboxylate derivatives have potential for selective inhibition of human jumonji-c domain-containing protein 5 Lennart Brewitz, Yu Nakashima, Sonia K. Piasecka, Eidarus Salah, Sally C. Fletcher, Anthony Tumber, Thomas P. Corner, Tristan J. Kennedy, Giorgia Fiorini, Armin Thalhammer, Kirsten E. Christensen, Mathew L. Coleman, Christopher J. Schofield
Journal Of Medicinal Chemistry, 8 Aug 2023 DOI: 10.1021/acs.jmedchem.3c01114 Journal Paper I03-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access MenT nucleotidyltransferase toxins extend tRNA acceptor stems and can be inhibited by asymmetrical antitoxin binding Xibing Xu, Ben Usher, Claude Gutierrez, Roland Barriot, Tom J. Arrowsmith, Xue Han, Peter Redder, Olivier Neyrolles, Tim R. Blower, Pierre Genevaux
Nature Communications, 14 Aug 2023 DOI: 10.1038/s41467-023-40264-3 Journal Paper I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access Deciphering the sugar transport in plants Diamond Light Source
Aug 2023 Science Highlight I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography
Crystal structures and kinetic studies of a laboratory evolved aldehyde reductase explain the dramatic shift of its new substrate specificity Shruthi Sridhar, Alberto Zavarise, Tiila-Riikka Kiema, Subhadra Dalwani, Tor Eriksson, Yannick Hajee, Thilak Reddy Enugala, Rik. K. Wierenga, Mikael Widersten
Iucrj, 10 Jul 2023 DOI: 10.1107/S205225252300444X Journal Paper I24-Microfocus Macromolecular Crystallography open access Bacteroides fragilis expresses three proteins similar to Porphyromonas gingivalis HmuY : Hemophore‐like proteins differentially evolved to participate in heme acquisition in oral and gut microbiomes Svetlana V. Antonyuk, Klaudia Siemińska, Michał Śmiga, Richard W. Strange, Mateusz Wagner, Katie J. Barnett, Teresa Olczak
The Faseb Journal, 37 Jul 2023 DOI: 10.1096/fj.202300366R Journal Paper I24-Microfocus Macromolecular Crystallography open access A degron blocking strategy towards improved CRL4CRBN recruiting PROTAC selectivity Habib Bouguenina, Andrea Scarpino, James O'Hanlon, Justin Warne, Hannah Z. Wang, Laura Chan Wah Hak, Amine Sadok, P. Craig Mcandrew, Mark Stubbs, Olivier A. Pierrat, Tamas Hahner, Marc P. Cabry, Yann-Vai Le Bihan, Costas Mitsopoulos, Fernando Jr. Sialana, Theodoros I. Roumeliotis, Rosemary Burke, Rob Van Montfort, Jyoti Choudhary, Rajesh Chopra, John J. Caldwell, Ian Collins
Chembiochem, Jul 2023 DOI: 10.1002/cbic.202300351 Journal Paper I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access Structural basis of bacterial glyeans biosynthesis and processing: impact in human health and disease Itxaso Anso
Jul 2023 Thesis I03-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography
TMEM106B is a receptor mediating ACE2-independent SARS-CoV-2 cell entry Jim Baggen, Maarten Jacquemyn, Leentje Persoons, Els Vanstreels, Valerie E. Pye, Antoni G. Wrobel, Valeria Calvaresi, Stephen R. Martin, Chloe Roustan, Nora B. Cronin, Eamonn Reading, Hendrik Jan Thibaut, Thomas Vercruysse, Piet Maes, Frederik De Smet, Angie Yee, Toey Nivitchanyong, Marina Roell, Natalia Franco-Hernandez, Herve Rhinn, Alusha Andre Mamchak, Maxime Ah Young-Chapon, Eric Brown, Peter Cherepanov, Dirk Daelemans
Cell, 59 Jul 2023 DOI: 10.1016/j.cell.2023.06.005 Journal Paper I24-Microfocus Macromolecular Crystallography open access Co-crystallisation and humanisation of an anti-HER2 single-domain antibody as a theranostic tool Kovilen Sawmynaden, Nicholas Wong, Sarah Davies, Richard Cowan, Richard Brown, David Tang, Maud Henry, David Tickle, David Matthews, Mark Carr, Preeti Bakrania, Hong Hoi Ting, Gareth Hall
Plos One, 18 Jul 2023 DOI: 10.1371/journal.pone.0288259 Journal Paper I24-Microfocus Macromolecular Crystallography open access Structural basis for binding of the renal carcinoma target hypoxia‐inducible factor 2α to prolyl hydroxylase domain 2 William D. Figg, Giorgia Fiorini, Rasheduzzaman Chowdhury, Yu Nakashima, Anthony Tumber, Michael A. Mcdonough, Christopher J. Schofield
Proteins: Structure, Function, And Bioinformatics, 8 Jul 2023 DOI: 10.1002/prot.26541 Journal Paper I24-Microfocus Macromolecular Crystallography open access Contacts in the nervous system: Structural insights into contactin mediated neural adhesion & signaling Lucas M. P. Chataigner
Jul 2023 Thesis B21-High Throughput SAXS I03-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography
Characterizing the binding site of GPVI inhibitors for the development of novel anti-platelet agents Foteini-Nafsika Damaskinaki
Jul 2023 Thesis I24-Microfocus Macromolecular Crystallography
Atomic structure of a nudivirus occlusion body protein determined from a 70-year-old crystal sample Jeremy R. Keown, Adam D. Crawshaw, Jose Trincao, Loic Carrique, Richard J. Gildea, Sam Horrell, Anna J. Warren, Danny Axford, Robin Owen, Gwyndaf Evans, Annie Bézier, Peter Metcalf, Jonathan M. Grimes
Nature Communications, 14 Jul 2023 DOI: 10.1038/s41467-023-39819-1 Journal Paper I24-Microfocus Macromolecular Crystallography VMXm-Versatile Macromolecular Crystallography microfocus open access Structural and biophysical analysis of UBE3A and partner protein complexes Emma Cowan
Jul 2023 Thesis B23-Circular Dichroism I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography Talos-Talos Arctica at Diamond
A multi-enzyme machine polymerizes the Haemophilus influenzae type b capsule Javier O. Cifuente, Julia Schulze, Andrea Bethe, Valerio Di Domenico, Christa Litschko, Insa Budde, Lukas Eidenberger, Hauke Thiesler, Isabel Ramón Roth, Monika Berger, Heike Claus, Cecilia D'Angelo, Alberto Marina, Rita Gerardy-Schahn, Mario Schubert, Marcelo E. Guerin, Timm Fiebig
Nature Chemical Biology, 18 June 2023 DOI: 10.1038/s41589-023-01324-3 Journal Paper I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access Serine ADP-ribosylation in Drosophila provides insights into the evolution of reversible ADP-ribosylation signalling Pietro Fontana, Sara C. Buch-Larsen, Osamu Suyari, Rebecca Smith, Marcin J. Suskiewicz, Kira Schützenhofer, Antonio Ariza, Johannes Gregor Matthias Rack, Michael L. Nielsen, Ivan Ahel
Nature Communications, 14 June 2023 DOI: 10.1038/s41467-023-38793-y Journal Paper I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access Leveraging local perturbations to map allosteric networks of phosphatases Tamar Skaist Mehlmam
June 2023 Thesis I03-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography
Structural basis for DARC binding in reticulocyte invasion by Plasmodium vivax Re'Em Moskovitz, Tossapol Pholcharee, Sophia M. Donvito, Bora Guloglu, Edward Lowe, Franziska Mohring, Robert W. Moon, Matthew Higgins
Nature Communications, 14 June 2023 DOI: 10.1038/s41467-023-39357-w Journal Paper B21-High Throughput SAXS I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access An intact S-layer is advantageous to Clostridioides difficile within the host Michael J. Ormsby, Filipa Vaz, Joseph A. Kirk, Anna Barwinska-Sendra, Jennifer C. Hallam, Paola Lanzoni-Mangutchi, John Cole, Roy R. Chaudhuri, Paula S. Salgado, Robert P. Fagan, Gillian R. Douce
Plos Pathogens, 19 June 2023 DOI: 10.1371/journal.ppat.1011015 Journal Paper I24-Microfocus Macromolecular Crystallography open access The crystal structure of the Hsp90-LA1011 complex and the mechanism by which LA1011 may improve the prognosis of Alzheimer’s disease S. Mark Roe, Zsolt Török, Andrew Mcgown, Ibolya Horváth, John Spencer, Tamás Pázmány, László Vigh, Chrisostomos Prodromou
Biomolecules, 13 June 2023 DOI: 10.3390/biom13071051 Journal Paper I24-Microfocus Macromolecular Crystallography open access Structure snapshots reveal the mechanism of a bacterial membrane lipoprotein N -acyltransferase Luke Smithers, Oksana Degtjarik, Dietmar Weichert, Chia-Ying Huang, Coilín Boland, Katherine Bowen, Abraham Oluwole, Corinne Lutomski, Carol V. Robinson, Eoin M. Scanlan, Meitian Wang, Vincent Olieric, Moran Shalev-Benami, Martin Caffrey
Science Advances, 9 June 2023 DOI: 10.1126/sciadv.adf5799 Journal Paper I24-Microfocus Macromolecular Crystallography open access A small-molecule PI3Kα activator for cardioprotection and neuroregeneration Grace Q. Gong, Benoit Bilanges, Ben Allsop, Glenn Masson, Victoria Roberton, Trevor Askwith, Sally Oxenford, Ralitsa R. Madsen, Sarah E. Conduit, Dom Bellini, Martina Fitzek, Matt Collier, Osman Najam, Zhenhe He, Ben Wahab, Stephen H. Mclaughlin, A. W. Edith Chan, Isabella Feierberg, Andrew Madin, Daniele Morelli, Amandeep Bhamra, Vanesa Vinciauskaite, Karen E. Anderson, Silvia Surinova, Nikos Pinotsis, Elena Lopez-Guadamillas, Matthew Wilcox, Alice Hooper, Chandni Patel, Maria A. Whitehead, Tom D. Bunney, Len R. Stephens, Phillip T. Hawkins, Matilda Katan, Derek M. Yellon, Sean M. Davidson, David M. Smith, James B. Phillips, Richard Angell, Roger L. Williams, Bart Vanhaesebroeck
Nature, 6 May 2023 DOI: 10.1038/s41586-023-05972-2 Journal Paper I03-Macromolecular Crystallography I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography Structure and sucrose binding mechanism of the plant SUC1 sucrose transporter Laust Bavnhøj, Jan Heiner Driller, Lorena Zuzic, Amanda Dyrholm Stange, Birgit Schiøtt, Bjorn Panyella Pedersen
Nature Plants, 7 May 2023 DOI: 10.1038/s41477-023-01421-0 Journal Paper I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access Structural basis for different membrane-binding properties of E. coli anaerobic and human mitochondrial β-oxidation trifunctional enzymes Shiv Sah-Teli, Matyas Pinkas, Mikko J. Hynonen, Sarah J. Butcher, Rik K. Wierenga, Jiri Novacek, Rajaram Venkatesan
Structure, 184 May 2023 DOI: 10.1016/j.str.2023.04.011 Journal Paper I24-Microfocus Macromolecular Crystallography open access Catabolite repression control protein antagonist, a novel player in Pseudomonas aeruginosa carbon catabolite repression control Elisabeth Sonnleitner, Flavia Bassani, Anastasia Cianciulli Sesso, Paul Brear, Branislav Lilic, Lovro Davidovski, Armin Resch, Ben F. Luisi, Isabella Moll, Udo Bläsi
Frontiers In Microbiology, 14 May 2023 DOI: 10.3389/fmicb.2023.1195558 Journal Paper I24-Microfocus Macromolecular Crystallography open access A diverse array of large capsules transform in response to stimuli Kai Wu, Tanya K. Ronson, Leonard Goh, Weichao Xue, Andrew W. Heard, Pingru Su, Xiaopeng Li, Mladen Vinković, Jonathan R. Nitschke
Journal Of The American Chemical Society, May 2023 DOI: 10.1021/jacs.3c02491 Journal Paper B21-High Throughput SAXS I24-Microfocus Macromolecular Crystallography open access Reverse transcriptases prime DNA synthesis Matej Zabrady, Katerina Zabrady, Arthur W. H. Li, Aidan J. Doherty
Nucleic Acids Research, May 2023 DOI: 10.1093/nar/gkad478 Journal Paper I24-Microfocus Macromolecular Crystallography open access Important structural features of thiolate-rich four-helix bundles for Cu(I) uptake and removal Jaeick Lee, Rosemary A. Dalton, Arnaud Basle, Nicolas Vita, Christopher Dennison
Inorganic Chemistry, Apr 2023 DOI: 10.1021/acs.inorgchem.2c04490 Journal Paper I24-Microfocus Macromolecular Crystallography open access Systematic construction of progressively larger capsules from a fivefold linking pyrrole-based subcomponent Kai Wu, Tanya K. Ronson, Pingru Su, Zhi Chen, Leonard Goh, Andrew W. Heard, Xiaopeng Li, Fabian Klautzsch, Christoph A. Schalley, Mladen Vinković, Jonathan R. Nitschke
Nature Synthesis, 115 Apr 2023 DOI: 10.1038/s44160-023-00276-9 Journal Paper B21-High Throughput SAXS I24-Microfocus Macromolecular Crystallography An ancient metalloenzyme evolves through metal preference modulation K. M. Sendra, Anna Barwinska-Sendra, E. S. Mackenzie, A. Basle, T. E. Kehl-Fie, K. J. Waldron
Nature Ecology & Evolution, 31 Apr 2023 DOI: 10.1038/s41559-023-02012-0 Journal Paper I03-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access Multivalent human antibody-centyrin fusion protein to prevent and treat Staphylococcus aureus infections Peter T. Buckley, Rita Chan, Jeffrey Fernandez, Jinquan Luo, Keenan A. Lacey, Ashley L. Dumont, Aidan O’malley, Randall J. Brezski, Songmao Zheng, Thomas Malia, Brian Whitaker, Adam Zwolak, Angela Payne, Desmond Clark, Martin Sigg, Eilyn R. Lacy, Anna Kornilova, Debra Kwok, Steve Mccarthy, Bingyuan Wu, Brian Morrow, Jennifer Nemeth-Seay, Ted Petley, Sam Wu, William R. Strohl, Anthony S. Lynch, Victor J. Torres
Cell Host & Microbe, 103 Apr 2023 DOI: 10.1016/j.chom.2023.04.004 Journal Paper I24-Microfocus Macromolecular Crystallography open access Nanobody loop mimetics enhance son of sevenless 1-catalyzed nucleotide exchange on RAS Kevin Van Holsbeeck, Baptiste Fischer, Simon Gonzalez, Charlène Gadais, Wim Versees, José Martins, Charlotte Martin, Alexandre Wohlkonig, Jan Steyaert, Steven Ballet
Angewandte Chemie International Edition, Apr 2023 DOI: 10.1002/anie.202219095 Structural and functional elucidation of four putative PQS-binding proteins in Pseudomonas aeruginosa Larson Grimm
Apr 2023 DOI: 10.17863/CAM.101975 Thesis I04-1-Macromolecular Crystallography (fixed wavelength) I24-Microfocus Macromolecular Crystallography Tuning liver pyruvate kinase activity up or down with a new class of allosteric modulators Amalyn Nain-Perez, Oscar Nilsson, Aleksei Lulla, Liliana Håversen, Paul Brear, Sara Liljenberg, Marko Hyvonen, Jan Borén, Morten Grøtli
European Journal Of Medicinal Chemistry, 250 Mar 2023 DOI: 10.1016/j.ejmech.2023.115177 Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access Tautomer-specific deacylation and Ω-loop flexibility explain the carbapenem-hydrolyzing broad-spectrum activity of the KPC-2 β-lactamase Catherine L. Tooke, Philip Hinchliffe, Michael Beer, Kirill Zinovjev, Charlotte K. Colenso, Christopher J. Schofield, Adrian J. Mulholland, James Spencer
Journal Of The American Chemical Society, Mar 2023 DOI: 10.1021/jacs.2c12123 Journal Paper I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access Structural basis of the inhibition of cystathionine γ‐lyase from Toxoplasma gondii by propargylglycine and cysteine Carmen Fernández-Rodríguez, Carolina Conter, Iker Oyenarte, Filippo Favretto, Iban Quintana, Maria Luz Martinez-Chantar, Alessandra Astegno, Luis Alfonso Martinez-Cruz
Protein Science, Mar 2023 DOI: 10.1002/pro.4619 Journal Paper I03-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access Turning universal O into rare Bombay type blood Itxaso Anso, Andreas Naegeli, Javier O. Cifuente, Ane Orrantia, Erica Andersson, Olatz Zenarruzabeitia, Alicia Moraleda-Montoya, Mikel Garcia-Alija, Francisco Corzana, Rafael A. Del Orbe, Francisco Borrego, Beatriz Trastoy, Jonathan Sjögren, Marcelo E. Guerin
Nature Communications, 14 Mar 2023 DOI: 10.1038/s41467-023-37324-z Journal Paper I24-Microfocus Macromolecular Crystallography open access Room-temperature crystallography reveals altered binding of small-molecule fragments to PTP1B Tamar Skaist Mehlmam, Justin T. Biel, Syeda Maryam Azeem, Elliot R. Nelson, Sakib Hossain, Louise Dunnett, Neil G. Paterson, Alice Douangamath, Romain Talon, Danny Axford, Helen Orins, Frank Von Delft, Daniel A. Keedy
Elife, 12 Mar 2023 DOI: 10.7554/eLife.84632 Journal Paper I03-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access Interactions of hydrolyzed β-lactams with the L1 metallo-β-lactamase: Crystallography supports stereoselective binding of cephem/carbapenem products Philip Hinchliffe, Karina Calvopina, Patrick Rabe, Maria F. Mojica, Christopher J. Schofield, Gary I. Dmitrienko, Robert A. Bonomo, Alejandro J. Vila, James Spencer
Journal Of Biological Chemistry, 399 Mar 2023 DOI: 10.1016/j.jbc.2023.104606 Journal Paper I03-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access Structural insights into the human niacin receptor HCA2-Gi signalling complex Yang Yang, Hye Jin Kang, Ruogu Gao, Jingjing Wang, Gye Won Han, Jeffrey F. Diberto, Lijie Wu, Jiahui Tong, Lu Qu, Yiran Wu, Ryan Pileski, Xuemei Li, Xuejun Cai Zhang, Suwen Zhao, Terry Kenakin, Quan Wang, Raymond C. Stevens, Wei Peng, Bryan L. Roth, Zihe Rao, Zhi-Jie Liu
Nature Communications, 14 Mar 2023 DOI: 10.1038/s41467-023-37177-6 Journal Paper I24-Microfocus Macromolecular Crystallography open access Structure based discovery of inhibitors of CYP125 and CYP142 from Mycobacterium tuberculosis Mona M. Katariya, Matthew Snee, Richard B. Tunnicliffe, Madeline E. Kavanagh, Helena I. M. Boshoff, Cecilia N. Amadi, Colin W. Levy, Andrew W. Munro, Chris Abell, David Leys, Anthony G. Coyne, Kirsty J. Mclean
Chemistry – A European Journal, Mar 2023 DOI: 10.1002/chem.202203868 Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access Small-molecule tools to study human cysteine enzymes SENPs and PARK7 Yuqing Jia
Feb 2023 Thesis I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography
Crystal structure and ligandability of the 14-3-3/pyrin interface Roxanne Lau, Michael M. Hann, Christian Ottmann
Biochemical And Biophysical Research Communications, 10 Feb 2023 DOI: 10.1016/j.bbrc.2023.02.013 Journal Paper I03-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access Targeting prolyl-tRNA synthetase via a series of ATP-mimetics to accelerate drug discovery against toxoplasmosis Manickam Yogavel, Alexandre Bougdour, Siddhartha Mishra, Nipun Malhotra, Jyoti Chhibber-Goel, Valeria Bellini, Karl Harlos, Benoît Laleu, Mohamed-Ali Hakimi, Amit Sharma
Plos Pathogens, 19 Feb 2023 DOI: 10.1371/journal.ppat.1011124 Journal Paper I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access Hemoglycin visible fluorescence induced by X-rays Malcolm W. Mcgeoch, Robin Owen, Sofia Jaho, Julie E. M. Mcgeoch
The Journal Of Chemical Physics, Feb 2023 DOI: 10.1063/5.0143945 Journal Paper I24-Microfocus Macromolecular Crystallography open access Macromolecular X-ray crystallography data collection strategies for radiation sensitive proteins Rachel Bolton
Feb 2023 Thesis I24-Microfocus Macromolecular Crystallography VMXm-Versatile Macromolecular Crystallography microfocus
The bacteriophage–phage-inducible chromosomal island arms race designs an interkingdom inhibitor of dUTPases Carla Sanz-Frasquet, J. Rafael Ciges-Tomas, Christian Alite, José R. Penadés, Alberto Marina
Microbiology Spectrum, Jan 2023 DOI: 10.1128/spectrum.03232-22 Journal Paper I24-Microfocus Macromolecular Crystallography open access Differential sensing with arrays of de novo designed peptide assemblies William M. Dawson, Kathryn L. Shelley, Jordan M. Fletcher, D. Arne Scott, Lucia Lombardi, Guto G. Rhys, Tania J. Lagambina, Ulrike Obst, Antony J. Burton, Jessica A. Cross, George Davies, Freddie J. O. Martin, Francis J. Wiseman, R. Leo Brady, David Tew, Christopher W. Wood, Derek N. Woolfson
Nature Communications, 14 Jan 2023 DOI: 10.1038/s41467-023-36024-y Journal Paper I02-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access Discovery and hit-to-lead optimization of benzothiazole scaffold-based DNA gyrase inhibitors with potent activity against Acinetobacter baumannii and Pseudomonas aeruginosa Andrej Emanuel Cotman, Martina Durcik, Davide Benedetto Tiz, Federica Fulgheri, Daniela Secci, Maša Sterle, Štefan Možina, Žiga Skok, Nace Zidar, Anamarija Zega, Janez Ilaš, Lucija Peterlin Mašič, Tihomir Tomašič, Diarmaid Hughes, Douglas L. Huseby, Sha Cao, Linnéa Garoff, Talía Berruga Fernández, Paraskevi Giachou, Lisa Crone, Ivailo Simoff, Richard Svensson, Bryndis Birnir, Sergiy V. Korol, Zhe Jin, Francisca Vicente, Maria C. Ramos, Mercedes De La Cruz, Björn Glinghammar, Lena Lenhammar, Sara R. Henderson, Julia E. A. Mundy, Anthony Maxwell, Claren E. M. Stevenson, David M. Lawson, Guido V. Janssen, Geert Jan Sterk, Danijel Kikelj
Journal Of Medicinal Chemistry, Jan 2023 DOI: 10.1021/acs.jmedchem.2c01597 Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access A 2.8 Å structure of zoliflodacin in a DNA cleavage complex with Staphylococcus aureus DNA gyrase Harry Morgan, Magdalena Lipka-Lloyd, Anna J. Warren, Naomi Hughes, John Holmes, Nicolas P. Burton, Eshwar Mahenthiralingam, Ben D. Bax
International Journal Of Molecular Sciences, 24 Jan 2023 DOI: 10.3390/ijms24021634 Journal Paper I24-Microfocus Macromolecular Crystallography open access