Unveiling the GT114 family: Structural characterization of A075L , a glycosyltransferase from Paramecium bursaria chlorella virus‐1 (PBCV ‐1) Maria Elena Laugieri, Immacolata Speciale, Ana Gimeno, Sicheng Lin, Brock W. Byers, Ana Poveda, Reyes Núñez‐franco, Idoia Iturrioz, María J. Moure, Gonzalo Jiménez-Osés, Irene Russo‐krauss, Anna Notaro, James L. Van Etten, Todd L. Lowary, Jesús Jimenez-Barbero, Cristina De Castro, Michela Tonetti, Adriana L. Rojas
Protein Science, 33 Dec 2024 DOI: 10.1002/pro.5196 Journal Paper I24-Microfocus Macromolecular Crystallography open access Discovery of MDI-114215: a potent and selective LIMK inhibitor to treat fragile X syndrome Alex G. Baldwin, David W. Foley, Ross Collins, Hyunah Lee, D. Heulyn Jones, Ben Wahab, Loren Waters, Josephine Pedder, Marie Paine, Gui Jie Feng, Lucia Privitera, Alexander Ashall-Kelly, Carys Thomas, Jason A. Gillespie, Lauramariú Schino, Delia Belelli, Cecilia Rocha, Gilles Maussion, Andrea I. Krahn, Thomas M. Durcan, Jonathan M. Elkins, Jeremy J. Lambert, John R. Atack, Simon E. Ward
Journal Of Medicinal Chemistry, Dec 2024 DOI: 10.1021/acs.jmedchem.4c02694 Journal Paper I24-Microfocus Macromolecular Crystallography open access Exchange, promiscuity, and orthogonality in de novo designed coiled-coil peptide assemblies Kathleen W. Kurgan, Freddie J. O. Martin, William M. Dawson, Thomas Brunnock, Andrew Orr-Ewing, Derek Woolfson
Chemical Science, Dec 2024 DOI: 10.1039/D4SC06329E Journal Paper I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access Specific radiation damage to halogenated inhibitors and ligands in protein–ligand crystal structures Matthew Rodrigues, Marc Cabry, Gavin Collie, Michael Carter, Craig Mcandrew, Robin L. Owen, Benjamin R. Bellenie, Yann-Vai Le Bihan, Rob L. M. Van Montfort
Journal Of Applied Crystallography, 57 Dec 2024 DOI: 10.1107/S1600576724010549 Journal Paper I24-Microfocus Macromolecular Crystallography open access Structural studies of Von Willebrand factor regulators for thrombotic thrombocytopenic purpura Zoe J. Markham-Lee
Dec 2024 Thesis I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography
Mechanisms of recalcitrant fucoidan breakdown in marine Planctomycetota Carla Pérez-Cruz, Alicia Moraleda-Montoya, Raquel Liébana, Oihana Terrones, Uxue Arrizabalaga, Mikel Garcia-Alija, Maier Lorizate, Ana Martínez Gascueña, Isabel García-Álvarez, Jon Ander Nieto-Garai, June Olazar-Intxausti, Bárbara Rodríguez-Colinas, Enrique Mann, José Luis Chiara, Francesc-Xabier Contreras, Marcelo E. Guerin, Beatriz Trastoy, Laura Alonso-Sáez
Nature Communications, 15 Dec 2024 DOI: 10.1038/s41467-024-55268-w Journal Paper I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access Structural and functional determination of peptide versus small molecule ligand binding at the apelin receptor Thomas L. Williams, Gregory Verdon, Rhoda E. Kuc, Heather Currinn, Brian Bender, Nicolae Solcan, Oliver Schlenker, Robyn G. C. Macrae, Jason Brown, Marco Schütz, Andrei Zhukov, Sanjay Sinha, Chris De Graaf, Stefan Graf, Janet J. Maguire, Alastair J. H. Brown, Anthony P. Davenport
Nature Communications, 15 Dec 2024 DOI: 10.1038/s41467-024-55381-w Journal Paper I24-Microfocus Macromolecular Crystallography open access Decoding the molecular basis of the specificity of an anti-sTn antibody Cátia O. Soares, Maria Elena Laugieri, Ana Sofia Grosso, Mariangela Natale, Helena Coelho, Sandra Behren, Jin Yu, Hui Cai, Antonio Franconetti, Iker Oyenarte, Maria Magnasco, Ana Gimeno, Nuno Ramos, Wengang Chai, Francisco Corzana, Ulrika Westerlind, Jesús Jiménez-Barbero, Angelina S. Palma, Paula A. Videira, June Ereño-Orbea, Filipa Marcelo
Jacs Au, 48 Dec 2024 DOI: 10.1021/jacsau.4c00921 Journal Paper I24-Microfocus Macromolecular Crystallography open access Design and evaluation of pyridinyl sulfonyl piperazine LpxH Inhibitors with potent antibiotic activity against enterobacterales Amanda F. Ennis, C. Skyler Cochrane, Patrick A. Dome, Pyeonghwa Jeong, Jincheng Yu, Hyejin Lee, Carly S. Williams, Yang Ha, Weitao Yang, Pei Zhou, Jiyong Hong
Jacs Au, Nov 2024 DOI: 10.1021/jacsau.4c00731 Journal Paper I02-Macromolecular Crystallography I03-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access Structural and spectroscopic investigations of pH-dependent Mo(V) species in a bacterial sulfite-oxidizing enzyme Ahmed Djeghader, Julia Rendon, Frédéric Biaso, Guillaume Gerbaud, Wolfgang Nitschke, Barbara Schoepp-Cothenet, Tewfik Soulimane, Stéphane Grimaldi
Inorganic Chemistry, Nov 2024 DOI: 10.1021/acs.inorgchem.4c02584 Tethered heme domains in a triheme cytochrome allow for increased electron transport distances Benjamin W. Nash, Tomás M. Fernandes, Joshua A. J. Burton, Leonor Morgado, Jessica H. Van Wonderen, Dimitri A. Svistunenko, Marcus J. Edwards, Carlos A. Salgueiro, Julea N. Butt, Thomas A. Clarke
Protein Science, 33 Nov 2024 DOI: 10.1002/pro.5200 Journal Paper B21-High Throughput SAXS I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access Sea foam contains hemoglycin from cosmic dust Julie E. M. Mcgeoch, Malcolm W. Mcgeoch
Rsc Advances, 14 Nov 2024 DOI: 10.1039/D4RA06881E Journal Paper I24-Microfocus Macromolecular Crystallography open access The crystal structure of human IgD-Fc reveals unexpected differences with other antibody isotypes Anna M. Davies, Tam T. T. Bui, Raúl Pacheco‐gómez, Susan K. Vester, Andrew J. Beavil, Hannah J. Gould, Brian J. Sutton, James M. Mcdonnell
Proteins: Structure, Function, And Bioinformatics, 125 Nov 2024 DOI: 10.1002/prot.26771 Journal Paper I24-Microfocus Macromolecular Crystallography open access Advancements in NMDA receptor-targeted antidepressants: from d-cycloserine discovery to preclinical efficacy of Lu AF90103 Erhad Ascic, Mauro Marigo, Laurent David, Kjartan Frisch Herrik, Morten Grupe, Charlotte Hougaard, Arne Mørk, Christopher R. Jones, Lassina Badolo, Kristen Frederiksen, Harrie C. M. Boonen, Henrik Sindal Jensen, John Paul Kilburn
Journal Of Medicinal Chemistry, 67 Nov 2024 DOI: 10.1021/acs.jmedchem.4c01477 Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I24-Microfocus Macromolecular Crystallography Processing serial synchrotron crystallography diffraction data with DIALS James Beilsten-Edmands, James M. Parkhurst, Graeme Winter, Gwyndaf Evans
Nov 2024 DOI: 10.1016/bs.mie.2024.10.004 Structural requirements for the specific binding of CRABP2 to cyclin D3 Martyna W. Pastok, Charles W. E. Tomlinson, Shannon Turberville, Abbey M. Butler, Arnaud Basle, Martin E. M. Noble, Jane A. Endicott, Ehmke Pohl, Natalie J. Tatum
Structure, 173 Oct 2024 DOI: 10.1016/j.str.2024.09.020 Journal Paper I03-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access A bacterial immunity protein directly senses two disparate phage proteins Tong Zhang, Albinas Cepauskas, Anastasiia Nadieina, Aurelien Thureau, Kyo Coppieters 'T Wallant, Chloé Martens, Daniel C. Lim, Abel Garcia-Pino, Michael T. Laub
Nature, 18 Oct 2024 DOI: 10.1038/s41586-024-08039-y Journal Paper I24-Microfocus Macromolecular Crystallography open access Structural mechanisms of SLF1 interactions with Histone H4 and RAD18 at the stalled replication fork Emma I. Ryder, Nazia Nasir, Amy e. O. Durgan, Michael Jenkyn-Bedford, Stephanie Tye, Xiaodong Zhang, Qian Wu
Nucleic Acids Research, 461 Oct 2024 DOI: 10.1093/nar/gkae831 Journal Paper I24-Microfocus Macromolecular Crystallography open access Design of a Cereblon construct for crystallographic and biophysical studies of protein degraders Alena Kroupova, Valentina A. Spiteri, Zoe J. Rutter, Hirotake Furihata, Darren Darren, Sarath Ramachandran, Sohini Chakraborti, Kevin Haubrich, Julie Pethe, Denzel Gonzales, Andre J. Wijaya, Maria Rodriguez-Rios, Manon Sturbaut, Dylan M. Lynch, William Farnaby, Mark A. Nakasone, David Zollman, Alessio Ciulli
Nature Communications, 15 Oct 2024 DOI: 10.1038/s41467-024-52871-9 Journal Paper B21-High Throughput SAXS I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access Structural and biochemical analysis of ligand binding in yeast Niemann-Pick type C1-related protein Lynette Nel, Katja Thaysen, Denisa Jamecna, Esben Olesen, Maria Szomek, Julia Langer, Kelly M. Frain, Doris Höglinger, Daniel Wüstner, Bjørn P. Pedersen
Life Science Alliance, 8 Oct 2024 DOI: 10.26508/lsa.202402990 Journal Paper I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access Fossil and present-day stromatolite ooids contain a meteoritic polymer of glycine and iron Julie E. M. Mcgeoch, Anton Frommelt, Robin L. Owen, Gianfelice Cinque, Arthur Mcclelland, David Lageson, Malcolm W. Mcgeoch
International Journal Of Astrobiology, 23 Oct 2024 DOI: 10.1017/S1473550424000168 Journal Paper B22-Multimode InfraRed imaging And Microspectroscopy I24-Microfocus Macromolecular Crystallography open access Structural insight into rabies virus neutralization revealed by an engineered antibody scaffold Ashwini Kedari, Rommel Iheozor-Ejiofor, Petja Salminen, Hasan Uğurlu, Anna R. Mäkelä, Lev Levanov, Olli Vapalahti, Vesa P. Hytönen, Kalle Saksela, Ilona Rissanen
Structure, 161 Oct 2024 DOI: 10.1016/j.str.2024.10.002 Journal Paper I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access Multiplexing methods in dynamic protein crystallography Margaret A. Klureza, Yelyzaveta Pulnova, David Von Stetten, Robin L. Owen, Godfrey S. Beddard, Arwen R. Pearson, Briony A. Yorke
Oct 2024 DOI: 10.1016/bs.mie.2024.10.009 Human prolyl hydroxylase domain 2 reacts with O2 and 2-oxoglutarate to enable formation of inactive Fe(III).2OG.hypoxia-inducible-factor α complexes Giorgia Fiorini, Stephen A. Marshall, William D. Figg, William K. Myers, Lennart Brewitz, Christopher J. Schofield
Scientific Reports, 14 Oct 2024 DOI: 10.1038/s41598-024-75761-y Journal Paper I24-Microfocus Macromolecular Crystallography open access Structural basis for the rescue of hyperexcitable cells by the amyotrophic lateral sclerosis drug Riluzole David Hollingworth, Frances Thomas, Dana A. Page, Mohamed A. Fouda, Raquel Lopez-Rios De Castro, Altin Sula, Vitaliy B. Mykhaylyk, Geoff Kelly, Martin B. Ulmschneider, Peter C. Ruben, Bonnie A. Wallace
Nature Communications, 15 Sept 2024 DOI: 10.1038/s41467-024-52539-4 Journal Paper I04-Macromolecular Crystallography I23-Long wavelength MX I24-Microfocus Macromolecular Crystallography open access Rational structure-guided design of a blood stage malaria vaccine immunogen presenting a single epitope from PfRH5 Thomas E. Harrison, Nawsad Alam, Brendan Farrell, Doris Quinkert, Amelia M. Lias, Lloyd D. W. King, Lea K. Barfod, Simon J. Draper, Ivan Campeotto, Matthew K. Higgins
Embo Molecular Medicine, 178 Sept 2024 DOI: 10.1038/s44321-024-00123-0 Journal Paper I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access PLK1-mediated phosphorylation cascade activates Mis18 complex to ensure centromere inheritance Pragya Parashara, Bethan Medina-Pritchard, Maria Alba Abad, Paula Sotelo-Parrilla, Reshma Thamkachy, David Grundei, Juan Zou, Christos Spanos, Chandni Natalia Kumar, Claire Basquin, Vimal Das, Zhaoyue Yan, Asma Abdullah Al-Murtadha, David A. Kelly, Toni Mchugh, Axel Imhof, Juri Rappsilber, A. Arockia Jeyaprakash
Science, 385 Sept 2024 DOI: 10.1126/science.ado8270 Journal Paper I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography Targeting cancer with small-molecule pan-KRAS degraders Johannes Popow, William Farnaby, Andreas Gollner, Christiane Kofink, Gerhard Fischer, Melanie Wurm, David Zollman, Andre Wijaya, Nikolai Mischerikow, Carina Hasenoehrl, Polina Prokofeva, Heribert Arnhof, Silvia Arce-Solano, Sammy Bell, Georg Boeck, Emelyne Diers, Aileen B. Frost, Jake Goodwin-Tindall, Jale Karolyi-Oezguer, Shakil Khan, Theresa Klawatsch, Manfred Koegl, Roland Kousek, Barbara Kratochvil, Katrin Kropatsch, Arnel A. Lauber, Ross Mclennan, Sabine Olt, Daniel Peter, Oliver Petermann, Vanessa Roessler, Peggy Stolt-Bergner, Patrick Strack, Eva Strauss, Nicole Trainor, Vesna Vetma, Claire Whitworth, Siying Zhong, Jens Quant, Harald Weinstabl, Bernhard Kuster, Peter Ettmayer, Alessio Ciulli
Science, 385 Sept 2024 DOI: 10.1126/science.adm8684 Expanding the inhibitor space of the WWP1 and WWP2 HECT E3 ligases Ashley P. Dudey, Jake M. Rigby, Gregory R. Hughes, G. Richard Stephenson, Thomas E. Storr, Andrew Chantry, Andrew M. Hemmings
Journal Of Enzyme Inhibition And Medicinal Chemistry, 39 Sept 2024 DOI: 10.1080/14756366.2024.2394895 Journal Paper I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access Inducible auto-phosphorylation regulates a widespread family of nucleotidyltransferase toxins Tom J. Arrowsmith, Xibing Xu, Shangze Xu, Ben Usher, Peter Stokes, Megan Guest, Agnieszka K. Bronowska, Pierre Genevaux, Tim R. Blower
Nature Communications, 15 Sept 2024 DOI: 10.1038/s41467-024-51934-1 Journal Paper I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access Exploring serial crystallography for drug discovery A. Dunge, C. Phan, O. Uwangue, M. Bjelcic, J. Gunnarsson, G. Wehlander, H. Käck, G. Branden
Iucrj, 11 Sept 2024 DOI: 10.1107/S2052252524006134 Journal Paper I24-Microfocus Macromolecular Crystallography open access Selective Aurora A-TPX2 interaction inhibitors have in vivo efficacy as targeted antimitotic agents Simon R. Stockwell, Duncan E. Scott, Gerhard Fischer, Estrella Guarino, Timothy P. C. Rooney, Tzu-Shean Feng, Tommaso Moschetti, Rajavel Srinivasan, Esther Alza, Alice Asteian, Claudio Dagostin, Anna Alcaide, Mathieu Rocaboy, Beata Blaszczyk, Alicia Higueruelo, Xuelu Wang, Maxim Rossmann, Trevor R. Perrior, Tom L. Blundell, David R. Spring, Grahame Mckenzie, Chris Abell, John Skidmore, Ashok R. Venkitaraman, Marko Hyvonen
Journal Of Medicinal Chemistry, 9 Aug 2024 DOI: 10.1021/acs.jmedchem.4c01165 Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I24-Microfocus Macromolecular Crystallography open access Genetic code expansion in Shewanella oneidensis MR-1 allows site-specific incorporation of bioorthogonal functional groups into a c-type cytochrome Colin W. J. Lockwood, Benjamin W. Nash, Simone E. Newton-Payne, Jessica H. Van Wonderen, Keir P. S. Whiting, Abigail Connolly, Alexander L. Sutton-Cook, Archie Crook, Advait R. Aithal, Marcus J. Edwards, Thomas A. Clarke, Amit Sachdeva, Julea N. Butt
Acs Synthetic Biology, Aug 2024 DOI: 10.1021/acssynbio.4c00248 Journal Paper I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access A BTB extension and ion-binding domain contribute to the pentameric structure and TFAP2A binding of KCTD1 Daniel M. Pinkas, Joshua C. Bufton, Alice E. Hunt, Charlotte E. Manning, William Richardson, Alex N. Bullock
Structure, 35 Aug 2024 DOI: 10.1016/j.str.2024.07.023 Journal Paper I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access Galectin-8N-selective 4-halophenylphthalazinone-galactals double π-stack in a unique pocket Sjors Van Klaveren, Mujtaba Hassan, Maria Håkansson, Richard E. Johnsson, Jessica Larsson, Žiga Jakopin, Marko Anderluh, Hakon Leffler, Tihomir Tomašič, Ulf J. Nilsson
Acs Medicinal Chemistry Letters, 15 Aug 2024 DOI: 10.1021/acsmedchemlett.4c00212 Journal Paper I24-Microfocus Macromolecular Crystallography open access Accelerated discovery of carbamate Cbl-b Inhibitors using generative AI models and structure-based drug design Taylor R. Quinn, Kathryn A. Giblin, Clare Thomson, Jeffrey A. Boerth, Gayathri Bommakanti, Erin Braybrooke, Christina Chan, Alex J. Chinn, Erin Code, Caifeng Cui, Yukai Fan, Neil P. Grimster, Keishi Kohara, Michelle L. Lamb, Lina Ma, Adelphe M. Mfuh, Graeme R. Robb, Kevin J. Robbins, Marianne Schimpl, Haoran Tang, Jamie Ware, Gail L. Wrigley, Lin Xue, Yun Zhang, Huimin Zhu, Samantha J. Hughes
Journal Of Medicinal Chemistry, Aug 2024 DOI: 10.1021/acs.jmedchem.4c01034 Journal Paper I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography Structure and rational engineering of the PglX methyltransferase and specificity factor for BREX phage defence Sam C. Went, David M. Picton, Richard D. Morgan, Andrew Nelson, Aisling Brady, Giuseppina Mariano, David T. F. Dryden, Darren L. Smith, Nicolas Wenner, Jay C. D. Hinton, Tim R. Blower
Nature Communications, 15 Aug 2024 DOI: 10.1038/s41467-024-51629-7 Journal Paper I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access Practical perspectives and roles of XRD in drug discovery: a review Ashish Mehta, Rahul Makhija, Pallavi Barik, Shubham Dhiman, Ghanshyam Das Gupta, Vivek Asati
Current Analytical Chemistry, 20 Aug 2024 DOI: 10.2174/0115734110296435240323113938 Membrane remodeling by FAM92A1 during brain development regulates neuronal morphology, synaptic function, and cognition Liang Wang, Ziyun Yang, Fudo Satoshi, Xavier Prasanna, Ziyi Yan, Helena Vihinen, Yaxing Chen, Yue Zhao, Xiumei He, Qian Bu, Hongchun Li, Ying Zhao, Linhong Jiang, Feng Qin, Yanping Dai, Ni Zhang, Meng Qin, Weihong Kuang, Yinglan Zhao, Eija Jokitalo, Ilpo Vattulainen, Tommi Kajander, Hongxia Zhao, Xiaobo Cen
Nature Communications, 15 Jul 2024 DOI: 10.1038/s41467-024-50565-w Journal Paper I24-Microfocus Macromolecular Crystallography open access CRTAC1 has a compact β-propeller–TTR core stabilized by potassium ions J. Wouter Beugelink, Henrietta Hóf, Bert J. C. Janssen
Journal Of Molecular Biology, 26 Jul 2024 DOI: 10.1016/j.jmb.2024.168712 Journal Paper I24-Microfocus Macromolecular Crystallography open access Activation of the canononical NF-kB pathway by the Kaposi's sarcoma-associated herpes virus oncoprotein vFLIP Swathi Lakshmi Senthil Kumar
Jul 2024 Thesis I24-Microfocus Macromolecular Crystallography
Natural malaria infection elicits rare but potent neutralizing antibodies to the blood-stage antigen RH5 Lawrence T. Wang, Andrew J. R. Cooper, Brendan Farrell, Kazutoyo Miura, Ababacar Diouf, Nicole Müller-Sienerth, Cécile Crosnier, Lauren Purser, Payton J. Kirtley, Maciej Maciuszek, Jordan R. Barrett, Kirsty Mchugh, Rodney Ogwang, Courtney Tucker, Shanping Li, Safiatou Doumbo, Didier Doumtabe, Chul-Woo Pyo, Jeff Skinner, Carolyn M. Nielsen, Sarah E. Silk, Kassoum Kayentao, Aissata Ongoiba, Ming Zhao, Doan C. Nguyen, F. Eun-Hyung Lee, Angela M. Minassian, Daniel E. Geraghty, Boubacar Traore, Robert A. Seder, Brandon K. Wilder, Peter D. Crompton, Gavin J. Wright, Carole A. Long, Simon J. Draper, Matthew K. Higgins, Joshua Tan
Cell, 387 Jul 2024 DOI: 10.1016/j.cell.2024.06.037 Journal Paper I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access Delineation of the complete reaction cycle of a natural Diels–Alderase Laurence Maschio, Catherine R. Back, Jawaher Alnawah, James I. Bowen, Samuel T. Johns, Sbusisiwe Z. Mbatha, Li-Chen Han, Nicholas R. Lees, Katja Zorn, James E. M. Stach, Martin A. Hayes, Marc W. Van Der Kamp, Christopher R. Pudney, Steven G. Burston, Christine L. Willis, Paul R. Race
Chemical Science, 15 Jul 2024 DOI: 10.1039/D4SC02908A Journal Paper I24-Microfocus Macromolecular Crystallography open access Allosteric nanobodies to study the interactions between SOS1 and RAS Baptiste Fischer, Tomasz Uchanski, Aidana Sheryazdanova, Simon Gonzalez, Alexander N. Volkov, Elke Brosens, Thomas Zogg, Valentina Kalichuk, Steven Ballet, Wim Versees, Anna A. Sablina, Els Pardon, Alexandre Wohlkonig, Jan Steyaert
Nature Communications, 15 Jul 2024 DOI: 10.1038/s41467-024-50349-2 Journal Paper I03-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access Analysis of the diverse antigenic landscape of the malaria protein RH5 identifies a potent vaccine-induced human public antibody clonotype Jordan R. Barrett, Dimitra Pipini, Nathan D. Wright, Andrew J. R. Cooper, Giacomo Gorini, Doris Quinkert, Amelia M. Lias, Hannah Davies, Cassandra A. Rigby, Maya Aleshnick, Barnabas G. Williams, William J. Bradshaw, Neil G. Paterson, Thomas Martinson, Payton Kirtley, Luc Picard, Christine D. Wiggins, Francesca R. Donnellan, Lloyd D. W. King, Lawrence T. Wang, Jonathan F. Popplewell, Sarah E. Silk, Jed De Ruiter Swain, Katherine Skinner, Vinayaka Kotraiah, Amy R. Noe, Randall S. Macgill, C. Richter King, Ashley J. Birkett, Lorraine A. Soisson, Angela M. Minassian, Douglas A. Lauffenburger, Kazutoyo Miura, Carole A. Long, Brandon K. Wilder, Lizbe Koekemoer, Joshua Tan, Carolyn M. Nielsen, Kirsty Mchugh, Simon J. Draper
Cell, 24 Jul 2024 DOI: 10.1016/j.cell.2024.06.015 Journal Paper I03-Macromolecular Crystallography I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access Molecular basis for pH sensing in the KDEL trafficking receptor Zhiyi Wu, Kathryn Smith, Andreas Gerondopoulos, Tomoaki Sobajima, Joanne L. Parker, Francis A. Barr, Simon Newstead, Philip C. Biggin
Structure, 32 Jul 2024 DOI: 10.1016/j.str.2024.03.013 Journal Paper I24-Microfocus Macromolecular Crystallography open access Structural mechanism underlying variations in DNA binding by the androgen receptor Xiao Yin Lee, Wout Van Eynde, Christine Helsen, Hanne Willems, Kaat Peperstraete, Sofie De Block, Arnout Voet, Frank Claessens
The Journal Of Steroid Biochemistry And Molecular Biology, 241 Jul 2024 DOI: 10.1016/j.jsbmb.2024.106499 Journal Paper I24-Microfocus Macromolecular Crystallography open access Identification of innovative folate inhibitors leveraging the amino dihydrotriazine motif from cycloguanil for their potential as anti-Trypanosoma brucei agents Valeria Francesconi, Marco Rizzo, Cecilia Pozzi, Lorenzo Tagliazucchi, Claude U. Konchie Simo, Giulia Saporito, Giacomo Landi, Stefano Mangani, Anna Carbone, Silvia Schenone, Nuno Santarém, Joana Tavares, Anabela Cordeiro-Da-Silva, Maria Paola Costi, Michele Tonelli
Acs Infectious Diseases, 27 Jul 2024 DOI: 10.1021/acsinfecdis.4c00113 Journal Paper I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography Spectroscopically validated pH-dependent MSOX movies provide detailed mechanism of copper nitrite reductases Samuel L. Rose, Felix Martin Ferroni, Sam Horrell, Carlos Dante Brondino, Robert R. Eady, Sofia Jaho, Michael A. Hough, Robin L. Owen, Svetlana V. Antonyuk, S. Samar Hasnain
Journal Of Molecular Biology, 46 Jul 2024 DOI: 10.1016/j.jmb.2024.168706 Journal Paper I24-Microfocus Macromolecular Crystallography open access Transition transferases prime bacterial capsule polymerization Christa Litschko, Valerio Di Domenico, Julia Schultz, Sizhe Li, Olga G. Ovchinnikova, Thijs Voskuilen, Andrea Bethe, Javier O. Cifuente, Alberto Marina, Insa Budde, Tim A. Mast, Małgorzata Sulewska, Monika Berger, Falk F. R. Buettner, Todd L. Lowary, Chris Whitfield, Jeroen D. C. Codée, Mario Schubert, Marcelo E. Guerin, Timm Fiebig
Nature Chemical Biology, 74 Jul 2024 DOI: 10.1038/s41589-024-01664-8 Journal Paper I24-Microfocus Macromolecular Crystallography open access Exploring the effects of redox within the bacterial biofilm lifecycle of Pseudomonas aeruginosa - the importance of sensory domains Charlotte R. Cordery
June 2024 Thesis I03-Macromolecular Crystallography I04-Macromolecular Crystallography I23-Long wavelength MX I24-Microfocus Macromolecular Crystallography VMXi-Versatile Macromolecular Crystallography in situ
Structural and functional characterization of nanobodies that neutralize Omicron variants of SARS-CoV-2 Katy Cornish, Jiandong Huo, Luke Jones, Parul Sharma, Joseph W. Thrush, Sahar Abdelkarim, Anja Kipar, Siva Ramadurai, Miriam Weckener, Halina Mikolajek, Sai Liu, Imogen Buckle, Eleanor Bentley, Adam Kirby, Ximeng Han, Stephen M. Laidlaw, Michelle Hill, Lauren Eyssen, Chelsea Norman, Audrey Le Bas, John Clarke, William James, James P. Stewart, Miles Carroll, James Naismith, Raymond J. Owens
Open Biology, 14 June 2024 DOI: 10.1098/rsob.230252 Journal Paper I03-Macromolecular Crystallography I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access Structural basis for recognition of the FLAG-tag by anti-FLAG M2 J. Wouter Beugelink, Els Sweep, Bert J. C. Janssen, Joost Snijder, Matti F. Pronker
Journal Of Molecular Biology, 49 June 2024 DOI: 10.1016/j.jmb.2024.168649 Journal Paper I24-Microfocus Macromolecular Crystallography open access Molecular mechanism of BMP signal control by Twisted gastrulation Tomas Malinauskas, Gareth Moore, Amalie F. Rudolf, Holly Eggington, Hayley L. Belnoue-Davis, Kamel El Omari, Samuel C. Griffiths, Rachel E. Woolley, Ramona Duman, Armin Wagner, Simon J. Leedham, Clair Baldock, Hilary L. Ashe, Christian Siebold
Nature Communications, 15 June 2024 DOI: 10.1038/s41467-024-49065-8 Journal Paper I03-Macromolecular Crystallography I23-Long wavelength MX I24-Microfocus Macromolecular Crystallography open access Exploring the sequence-function space of microbial fucosidases Ana Martínez Gascueña, Haiyang Wu, Rui Wang, C. David Owen, Pedro J. Hernando, Serena Monaco, Matthew Penner, Ke Xing, Gwenaelle Le Gall, Richard Gardner, Didier Ndeh, Paulina A. Urbanowicz, Daniel I. R. Spencer, Martin Walsh, Jesus Angulo, Nathalie Juge
Communications Chemistry, 7 June 2024 DOI: 10.1038/s42004-024-01212-4 Journal Paper I03-Macromolecular Crystallography I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access Stereochemical inversion at a 1,4-cyclohexyl PROTAC linker fine-tunes conformation and binding affinity Martina Pierri, Xingui Liu, Alena Kroupova, Zoe Rutter, Alex J. Hallatt, Alessio Ciulli
Bioorganic & Medicinal Chemistry Letters, 21 June 2024 DOI: 10.1016/j.bmcl.2024.129861 Journal Paper I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access A fragment based competitive 19F LB‐NMR platform for hotspot directed ligand profiling William J. Mccarthy, Sherine E. Thomas, Tayo Olaleye, Jennifer A Boland, Rodrigo Andres Floto, Glyn Williams, Tom L. Blundell, Anthony G Coyne, Chris Abell
Angewandte Chemie International Edition, June 2024 DOI: 10.1002/anie.202406846 Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access Mechanisms of neutralization of toxSAS from toxin–antitoxin modules Lucia Dominguez-Molina, Tatsuaki Kurata, Albinas Cepauskas, Dannele Echemendia-Blanco, Safia Zedek, Ariel Talavera-Perez, Gemma C. Atkinson, Vasili Hauryliuk, Abel Garcia-Pino
Nature Chemical Biology, 6 June 2024 DOI: 10.1038/s41589-024-01630-4 Journal Paper I24-Microfocus Macromolecular Crystallography open access Bacterial esterases reverse lipopolysaccharide ubiquitylation to block host immunity Magdalena Szczesna, Yizhou Huang, Rachel E. Lacoursiere, Francesca Bonini, Vito Pol, Fulya Koc, Beatrice Ward, Paul P. Geurink, Jonathan N. Pruneda, Teresa L. M. Thurston
Cell Host & Microbe, 32 June 2024 DOI: 10.1016/j.chom.2024.04.012 Journal Paper I24-Microfocus Macromolecular Crystallography open access Protein engineering enables a soakable crystal form of human CDK7 primed for high-throughput crystallography and structure-based drug design Manjeet Mukherjee, Philip J. Day, Duncan Laverty, Juan A. Bueren-Calabuig, Andrew J. Woodhead, Charlotte Griffiths-Jones, Steve Hiscock, Charlotte East, Susan Boyd, Marc O'Reilly
Structure, 63 June 2024 DOI: 10.1016/j.str.2024.05.011 Broad protection against invasive fungal disease from a nanobody targeting the active site of fungal b‐1,3‐glucanosyltransferases Sergio Redrado-Hernández, Javier Macías-León, Jorge Castro-López, Ana Belén Sanz, Elena Dolader, Maykel Arias, Andrés Manuel González-Ramírez, David Sánchez-Navarro, Yuliya Petryk, Vladimir Farkaš, Cecile Vincke, Serge Muyldermans, Irene García-Barbazán, Celia Del Agua, Oscar Zaragoza, Javier Arroyo, Julián Pardo, Eva Gálvez, Ramon Hurtado-Guerrero
Angewandte Chemie International Edition, June 2024 DOI: 10.1002/anie.202405823 Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength) I24-Microfocus Macromolecular Crystallography open access Structural descriptions of ligand interactions to RNA quadruplexes folded from the non-coding region of Pseudorabies virus Yashu Zhang, Khair Bux, Fedaa Attana, Dengguo Wei, Shozeb Haider, Gary N. Parkinson
Biochimie, 49 June 2024 DOI: 10.1016/j.biochi.2024.06.003 Journal Paper I24-Microfocus Macromolecular Crystallography open access Rationally seeded computational protein design of ɑ-helical barrels Katherine I. Albanese, Rokas Petrenas, Fabio Pirro, Elise A. Naudin, Ufuk Borucu, William M. Dawson, D. Arne Scott, Graham. J. Leggett, Orion D. Weiner, Thomas A. A. Oliver, Derek N. Woolfson
Nature Chemical Biology, 53 June 2024 DOI: 10.1038/s41589-024-01642-0 Journal Paper B21-High Throughput SAXS I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access Serial and time-resolved crystallography of metalloproteins Peter Smyth
June 2024 Thesis I24-Microfocus Macromolecular Crystallography
Biophysical and structural analyses of the interaction between the SHANK1 PDZ domain and an internal SLiM Yue Li, Chi H. Trinh, Amanda Acevedo-Jake, Diana Gimenez, Stuart L Warriner, Andrew J. Wilson
Biochemical Journal, June 2024 DOI: 10.1042/BCJ20240126 Journal Paper I24-Microfocus Macromolecular Crystallography open access Retromer‐mediated recruitment of the WASH complex involves discrete interactions between VPS35 , VPS29, and FAM21 Miguel Romano-Moreno, Elsa N. Astorga-Simon, Adriana L. Rojas, Aitor Hierro
Protein Science, 33 May 2024 DOI: 10.1002/pro.4980 Journal Paper I24-Microfocus Macromolecular Crystallography open access 70 years in the making: a historical virus sample reveals a novel protein structure Diamond Light Source
May 2024 Science Highlight I24-Microfocus Macromolecular Crystallography VMXm-Versatile Macromolecular Crystallography microfocus
Cobalamin decyanation by the membrane transporter BtuM Jose M. Martinez Felices, Yan Borges Barreto, Chancievan Thangaratnarajah, Jacob J. Whittaker, Adriano M. Alencar, Albert Guskov, Dirk J. Slotboom
Structure, 13 May 2024 DOI: 10.1016/j.str.2024.04.014 Structural and spectroscopic characterisation of Cytochrome c’ and Cytochrome P460 from Methylococcus capsulatus Hannah R. Adams
May 2024 Thesis I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I24-Microfocus Macromolecular Crystallography
Extracellular modulation of TREK-2 activity with nanobodies provides insight into the mechanisms of K2P channel regulation Karin E. J. Roedstroem, Alexander Cloake, Janina Sörmann, Agnese Baronina, Kathryn H. M. Smith, Ashley C. W. Pike, Jackie Ang, Peter Proks, Marcus Schewe, Ingelise Holland-Kaye, Simon R. Bushell, Jenna Elliott, Els Pardon, Thomas Baukrowitz, Raymond J. Owens, Simon Newstead, Jan Steyaert, Elisabeth P. Carpenter, Stephen J. Tucker
Nature Communications, 15 May 2024 DOI: 10.1038/s41467-024-48536-2 Journal Paper I24-Microfocus Macromolecular Crystallography open access Ebselen analogues delay disease onset and its course in fALS by on-target SOD-1 engagement Seiji Watanabe, Kangsa Amporndanai, Raheela Awais, Caroline Latham, Muhammad Awais, Paul M. O’neill, Koji Yamanaka, S. Samar Hasnain
Scientific Reports, 14 May 2024 DOI: 10.1038/s41598-024-62903-5 Journal Paper I24-Microfocus Macromolecular Crystallography open access Novel dihydropteridinone derivatives as potent inhibitors of the understudied human kinases vaccinia-related kinase 1 and casein kinase 1δ/ε Fernando H. De Souza Gama, Luiz A. Dutra, Michael Hawgood, Caio Vinícius Dos Reis, Ricardo A. M. Serafim, Marcos A. Ferreira, Bruno V. M. Teodoro, Jéssica Emi Takarada, André S. Santiago, Dimitrios-Ilias Balourdas, Ann-Sofie Nilsson, Bruno Urien, Vitor M. Almeida, Carina Gileadi, Priscila Z. Ramos, Anita Salmazo, Stanley N. S. Vasconcelos, Micael R. Cunha, Susanne Mueller, Stefan Knapp, Katlin B. Massirer, Jonathan M. Elkins, Opher Gileadi, Alessandra Mascarello, Bennie B. L. G. Lemmens, Cristiano R. W. Guimarães, Hatylas Azevedo, Rafael M. Counago
Journal Of Medicinal Chemistry, May 2024 DOI: 10.1021/acs.jmedchem.3c02250 Substrate recruitment via eIF2γ enhances catalytic efficiency of a holophosphatase that terminates the integrated stress response Yahui Yan, Maithili Shetty, Heather P. Harding, Ginto George, Alisa Zyryanova, Katherine Labbé, Amirhossein Mafi, Qi Hao, Carmela Sidrauski, David Ron
Proceedings Of The National Academy Of Sciences, 121 Apr 2024 DOI: 10.1073/pnas.2320013121 Journal Paper I24-Microfocus Macromolecular Crystallography open access An ultraviolet-driven rescue pathway for oxidative stress to eye lens protein human gamma-D crystallin Jake A. Hill, Yvonne Nyathi, Sam Horrell, David Von Stetten, Danny Axford, Robin L. Owen, Godfrey S. Beddard, Arwen R. Pearson, Helen M. Ginn, Briony Yorke
Communications Chemistry, 7 Apr 2024 DOI: 10.1038/s42004-024-01163-w Journal Paper I24-Microfocus Macromolecular Crystallography open access Proteins containing photosynthetic reaction centre domains modulate FtsZ-based archaeal cell division Phillip Nußbaum, Danguole Kureisaite-Ciziene, Dom Bellini, Chris Van Der Does, Marko Kojic, Najwa Taib, Anna Yeates, Maxime Tourte, Simonetta Gribaldo, Martin Loose, Jan Lowe, Sonja-Verena Albers
Nature Microbiology, 9 Mar 2024 DOI: 10.1038/s41564-024-01600-5 Revisiting strategies and their combinatorial effect for introducing peroxygenase activity in CYP102A1 (P450BM3) Jasmin C. Aschenbrenner, Ana C. Ebrecht, Martha S. Smit, Diederik J. Opperman
Molecular Catalysis, 557 Mar 2024 DOI: 10.1016/j.mcat.2024.113953 Journal Paper I03-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access A redox switch allows binding of Fe(II) and Fe(III) ions in the cyanobacterial iron-binding protein FutA from Prochlorococcus Rachel Bolton, Moritz M. Machelett, Jack Stubbs, Danny Axford, Nicolas Caramello, Lucrezia Catapano, Martin Maly, Matthew J. Rodrigues, Charlotte Cordery, Graham J. Tizzard, Fraser Macmillan, Sylvain Engilberge, David Von Stetten, Takehiko Tosha, Hiroshi Sugimoto, Jonathan A. R. Worrall, Jeremy S. Webb, Mike Zubkov, Simon Coles, Eric Mathieu, Roberto A. Steiner, Garib Murshudov, Tobias E. Schrader, Allen M. Orville, Antoine Royant, Gwyndaf Evans, Michael A. Hough, Robin L. Owen, Ivo Tews
Proceedings Of The National Academy Of Sciences, 121 Mar 2024 DOI: 10.1073/pnas.2308478121 Journal Paper I24-Microfocus Macromolecular Crystallography open access Structural dissection of two redox proteins from the shipworm symbiont Teredinibacter turnerae Badri S. Rajagopal, Nick Yates, Jake Smith, Alessandro Paradisi, Catherine Tétard-Jones, William G. T. Willats, Susan Marcus, J. Paul Knox, Mohd Firdaus-Raih, Bernard Henrissat, Gideon J. Davies, Paul H. Walton, Alison Parkin, Glyn R. Hemsworth
Iucrj, 11 Mar 2024 DOI: 10.1107/S2052252524001386 Journal Paper I03-Macromolecular Crystallography I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access Reverse-engineering the anti-MUC1 antibody 139H2 by mass spectrometry–based de novo sequencing Weiwei Peng, Koen Cap Giesbers, Marta Šiborová, J. Wouter Beugelink, Matti F. Pronker, Douwe Schulte, John Hilkens, Bert J. C. Janssen, Karin Strijbis, Joost Snijder
Life Science Alliance, 7 Mar 2024 DOI: 10.26508/lsa.202302366 Journal Paper I24-Microfocus Macromolecular Crystallography open access 7.10 MAG. a novel host monoacylglyceride for in meso (lipid cubic phase) crystallization of membrane proteins Pawel Krawinski, Luke Smithers, Leendert Van Dalsen, Coilin Boland, Nikita Ostrovitsa, Javier Pérez, Martin Caffrey
Crystal Growth & Design, 63 Mar 2024 DOI: 10.1021/acs.cgd.4c00087 Journal Paper I24-Microfocus Macromolecular Crystallography open access Structure and function of Semaphorin-5A glycosaminoglycan interactions Gergely N. Nagy, Xiao-Feng Zhao, Richard Karlsson, Karen Wang, Ramona Duman, Karl Harlos, Kamel El Omari, Armin Wagner, Henrik Clausen, Rebecca L. Miller, Roman J. Giger, E. Yvonne Jones
Nature Communications, 15 Mar 2024 DOI: 10.1038/s41467-024-46725-7 Journal Paper I03-Macromolecular Crystallography I23-Long wavelength MX I24-Microfocus Macromolecular Crystallography open access Regulation of inositol 5-phosphatase activity by the C2 domain of SHIP1 and SHIP2 William J. Bradshaw, Emma C. Kennedy, Tiago Moreira, Luke A. Smith, Rod Chalk, Vittorio L. Katis, Justin L. P. Benesch, Paul E. Brennan, Emma J. Murphy, Opher Gileadi
Structure, 44 Feb 2024 DOI: 10.1016/j.str.2024.01.005 Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access Human 2´-deoxynucleoside 5´-phosphate N-Hydrolase 1: the catalytic roles of Tyr24 and Asp80 Anna E. Carberry, Suneeta Devi, David J. Harrison, Rafael G. Da Silva
Chembiochem, Feb 2024 DOI: 10.1002/cbic.202400047 Rational design of a cyclohexanone dehydrogenase for enhanced α, β-desaturation and substrate specificity Warispreet Singh, Nicola Brown, Hannah V. Mccue, Sophie R. Marriott, Richard C. Wilson, Justin Perry, Johan P. Turkenburg, Kshatresh D. Dubey, Stephen H. Prior, Andrew J. Carnell, Edward J. Taylor, Gary W. Black
Chemical Science, Feb 2024 DOI: 10.1039/D3SC04009G Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I24-Microfocus Macromolecular Crystallography open access UBE2A and UBE2B are recruited by an atypical E3 ligase module in UBR4 Lucy Barnsby-Greer, Peter D. Mabbitt, Marc-Andre Dery, Daniel R. Squair, Nicola T. Wood, Frederic Lamoliatte, Sven M. Lange, Satpal Virdee
Nature Structural & Molecular Biology, 116 Jan 2024 DOI: 10.1038/s41594-023-01192-4 Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength) I24-Microfocus Macromolecular Crystallography open access Functional and structural asymmetry suggest a unifying principle for catalysis in membrane-bound pyrophosphatases Jannik Strauss, Craig Wilkinson, Keni Vidilaseris, Orquidea M. De Castro Ribeiro, Jianing Liu, James Hillier, Maximilian Wichert, Anssi M. Malinen, Bernadette Gehl, Lars J. C. Jeuken, Arwen R. Pearson, Adrian Goldman
Embo Reports, 215 Jan 2024 DOI: 10.1038/s44319-023-00037-x Journal Paper I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access The crystal structure of SUN1-KASH6 reveals an asymmetric LINC complex architecture compatible with nuclear membrane insertion Manickam Gurusaran, Benedikte S. Erlandsen, Owen R. Davies
Communications Biology, 7 Jan 2024 DOI: 10.1038/s42003-024-05794-6 Journal Paper B21-High Throughput SAXS I24-Microfocus Macromolecular Crystallography open access Conformational activation and inhibition of von Willebrand factor by targeting its autoinhibitory module Nicholas A. Arce, Zoe Markham-Lee, Qian Liang, Shabir Najmudin, Emily R. Legan, Gabrielle Dean, Ally J. Su, Moriah S. Wilson, Robert F. Sidonio, Pete Lollar, Jonas Emsley, Renhao Li
Blood Journal, Jan 2024 DOI: 10.1182/blood.2023022038 Using BpyAla to generate copper artificial metalloenzymes: a catalytic and structural study E. Klemencic, R. C. Brewster, H. S. Ali, J. M. Richardson, A. G. Jarvis
Catalysis Science & Technology, 24 Jan 2024 DOI: 10.1039/D3CY01648J Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access