Biochemical and structural characterization of enzymes in the 4-hydroxybenzoate catabolic pathway of lignin-degrading white-rot fungi Eugene Kuatsjah, Alexa Schwartz, Michael Zahn, Konstantinos Tornesakis, Zoe A. Kellermyer, Morgan A. Ingraham, Sean P. Woodworth, Kelsey J. Ramirez, Paul A. Cox, Andrew R. Pickford, Davinia Salvachúa
Cell Reports, 43 Dec 2024 DOI: 10.1016/j.celrep.2024.115002 Journal Paper I03-Macromolecular Crystallography I04-Macromolecular Crystallography open access Structural and functional studies of the EGF20-27 region reveal new features of the human Notch receptor important for optimal activation Zhihan Bo, Thomas Rowntree, Steven Johnson, Hilman Nurmahdi, Richard J. Suckling, Johan Hill, Boguslawa Korona, Philip C. Weisshuhn, Devon Sheppard, Yao Meng, Shaoyan Liang, Edward D. Lowe, Susan M. Lea, Christina Redfield, Penny A. Handford
Structure, 284 Nov 2024 DOI: 10.1016/j.str.2024.10.012 Journal Paper B21-High Throughput SAXS I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) 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 Bioinformatics-facilitated identification of novel bacterial sulfoglycosidases that hydrolyze 6-sulfo-N-acetylglucosamine Mochen Dong, Zhuoyun Chen, Yuan He, Rémi Zallot, Yi Jin
Acs Bio & Med Chem Au, Nov 2024 DOI: 10.1021/acsbiomedchemau.4c00088 The kinetoplastid kinetochore protein KKT23 acetyltransferase is a structural homolog of GCN5 that acetylates the histone H2A C-terminal tail Patryk Ludzia, Midori Ishii, Gauri Deak, Christos Spanos, Marcus D. Wilson, Christina Redfield, Bungo Akiyoshi
Structure, 8 Nov 2024 DOI: 10.1016/j.str.2024.10.031 Journal Paper I03-Macromolecular Crystallography I04-Macromolecular Crystallography open access Molecular basis for short-chain thioester hydrolysis by acyl hydrolases in trans-acyltransferase polyketide synthases Christopher D. Fage, Munro Passmore, Ben P. Tatman, Helen G. Smith, Xinyun Jian, Upeksha C. Dissanayake, Mia E. Foran, G. Andrés Cisneros, Gregory L. Challis, Józef R. Lewandowski, Matthew Jenner
Jacs Au, Nov 2024 DOI: 10.1021/jacsau.4c00837 Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) open access Covalent targeting of histidine residues with aryl fluorosulfates: application to Mcl-1 BH3 mimetics Giulia Alboreggia, Parima Udompholkul, Emma L. Atienza, Kendall Muzzarelli, Zahra Assar, Maurizio Pellecchia
Journal Of Medicinal Chemistry, Nov 2024 DOI: 10.1021/acs.jmedchem.4c01541 Archaeal NusA2 is the ancestor of ribosomal protein eS7 in eukaryotes Duy Khanh Phung, Simona Pilotto, Dorota Matelska, Fabian Blombach, Nikos Pinotsis, Ladislav Hovan, Francesco Luigi Gervasio, Finn Werner
Structure, 9 Nov 2024 DOI: 10.1016/j.str.2024.10.019 Covalent inhibitors of KEAP1 with exquisite selectivity Imre Fejes, Piroska Markacz, Janos Tatai, Monika Rudas, Petra Dunkel, Mario Gyuris, Miklos Nyerges, Nicolas Provost, Valérie Duvivier, Philippe Delerive, Virginie Martiny, Alexandra Bristiel, Brice Vidal, William Richardson, Elisabeth M. Rothweiler, Jeppe Tranberg-Jensen, Charlotte E. Manning, Melissa Sweeney, Rod Chalk, Kilian V. M. Huber, Alex N. Bullock, Andras Herner, Klaus Seedorf, Cedric Vinson, Csaba Weber, Andras Kotschy
Journal Of Medicinal Chemistry, Nov 2024 DOI: 10.1021/acs.jmedchem.4c02019 Journal Paper I03-Macromolecular Crystallography I04-Macromolecular Crystallography open access Directed evolution of an artificial hydroxylase based on a thermostable human carbonic anhydrase protein Iori Morita, Adriana Faraone, Elias Salvisberg, Kailin Zhang, Roman P. Jakob, Timm Maier, Thomas R. Ward
Acs Catalysis, Nov 2024 DOI: 10.1021/acscatal.4c04163 Precision activity-based α-amylase probes for dissection and annotation of linear and branched-chain starch-degrading enzymes Isabelle B. Pickles, Yurong Chen, Olga Moroz, Haley A. Brown, Casper De Boer, Zachary Armstrong, Nicholas G. S. Mcgregor, Marta Artola, Jeroen D. C. Codée, Nicole M. Koropatkin, Herman S. Overkleeft, Gideon J. Davies
Angewandte Chemie International Edition, Nov 2024 DOI: 10.1002/anie.202415219 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-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography A bioorthogonal precision tool for human N-acetylglucosaminyltransferase V Yu Liu, Ganka Bineva-Todd, Richard W. Meek, Laura Mazo, Beatriz Piniello, Olga Moroz, Sean A. Burnap, Nadima Begum, André Ohara, Chloe Roustan, Sara Tomita, Svend Kjaer, Karen Polizzi, Weston B. Struwe, Carme Rovira, Gideon J. Davies, Benjamin Schumann
Journal Of The American Chemical Society, 146 Oct 2024 DOI: 10.1021/jacs.4c05955 Covalent inhibitors of S100A4 block the formation of a pro-metastasis non-muscle myosin 2A complex Charline Giroud, Tamas Szommer, Carmen Coxon, Octovia Monteiro, Thomas Grimes, Tryfon Zarganes-Tzitzikas, Thomas Christott, James Bennett, Karly Buchan, Paul E. Brennan, Oleg Fedorov
Journal Of Medicinal Chemistry, 4 Oct 2024 DOI: 10.1021/acs.jmedchem.4c01320 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 Asymmetric monoreduction of α,β-dicarbonyls to α-hydroxy carbonyls by ene reductases Allison E. Wolder, Christian M. Heckmann, Peter-Leon Hagedoorn, Diederik J. Opperman, Caroline E. Paul
Acs Catalysis, 60 Oct 2024 DOI: 10.1021/acscatal.4c04676 Structure-guided discovery of selective USP7 inhibitors with in vivo activity Attila Vasas, Lisa Ivanschitz, Balázs Molnár, Árpád Kiss, Lisa Baker, Andrea Fiumana, Alba Macias, James B. Murray, Emma Sanders, Neil Whitehead, Roderick E. Hubbard, Carine Saunier, Elodie Monceau, Anne Marie Girard, Marion Rousseau, Maia Chanrion, Didier Demarles, Olivier Geneste, Csaba Weber, Elodie Lewkowicz, Andras Kotschy
Journal Of Medicinal Chemistry, 2 Oct 2024 DOI: 10.1021/acs.jmedchem.4c01472 Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) Understanding the catalytic efficiency of two polyester degrading enzymes: an experimental and theoretical investigation Matilda Clark, Konstantinos Tornesakis, Gerhard König, Michael Zahn, Bruce R. Lichtenstein, Andrew R. Pickford, Paul A. Cox
Acs Omega, 596 Oct 2024 DOI: 10.1021/acsomega.4c06528 Structural basis of epitope recognition by anti-alpha-synuclein antibodies MJFR14-6-4-2 Ilva Liekniņa, Lasse Reimer, Teodors Pantelejevs, Alons Lends, Kristaps Jaudzems, Aadil El-Turabi, Hjalte Gram, Anissa Hammi, Poul Henning Jensen, Kaspars Tārs
Npj Parkinson'S Disease, 10 Oct 2024 DOI: 10.1038/s41531-024-00822-y Structural dissection of the CMP-pseudaminic acid synthetase, PseF Tessa Keenan, Andrew R. Cowan, Emily K. P. Flack, Natasha E. Hatton, Abigail J. Walklett, Gavin H. Thomas, Glyn R. Hemsworth, Martin A. Fascione
Structure, 276 Oct 2024 DOI: 10.1016/j.str.2024.09.017 Journal Paper I03-Macromolecular Crystallography I04-Macromolecular Crystallography open access The mechanism of allosteric activation of SYK kinase derived from multiple phospho-ITAM-bound structures William Bradshaw, Gemma Harris, Opher Gileadi, Vittorio Katis
Structure, 10 Oct 2024 DOI: 10.1016/j.str.2024.09.024 Journal Paper B21-High Throughput SAXS I03-Macromolecular Crystallography open access Cryptosporidium lysyl-tRNA synthetase inhibitors define the interplay between solubility and permeability required to achieve efficacy Nicola Caldwell, Caroline Peet, Peter Miller, Beatrice L. Colon, Malcolm G. Taylor, Mattia Cocco, Alice Dawson, Iva Lukac, Jose E. Teixeira, Lee Robinson, Laura Frame, Simona Seizova, Sebastian Damerow, Fabio Tamaki, John Post, Jennifer Riley, Nicole Mutter, Jack C. Hanna, Liam Ferguson, Xiao Hu, Michele Tinti, Barbara Forte, Neil R. Norcross, Peter S. Campbell, Nina Svensen, Flora C. Caldwell, Chimed Jansen, Vincent Postis, Kevin D. Read, Christopher D. Huston, Ian H. Gilbert, Beatriz Baragaña, Mattie C. Pawlowic
Science Translational Medicine, 16 Oct 2024 DOI: 10.1126/scitranslmed.adm8631 Crystal structures of cables formed by the acetylated and unacetylated forms of the Schizosaccharomyces pombe tropomyosin orthologue TpmCdc8 Patrick Y. A. Reinke, Robin S. Heiringhoff, Theresia Reindl, Karen Baker, Manuel H. Taft, Alke Meents, Daniel P. Mulvihill, Owen R. Davies, Roman Fedorov, Michael Zahn, Dietmar J. Manstein
Journal Of Biological Chemistry, 6 Oct 2024 DOI: 10.1016/j.jbc.2024.107925 Evolutionary and molecular basis of ADP-ribosylation reversal by zinc-dependent macrodomains Antonio Ariza, Qiang Liu, Nathan Cowieson, Ivan Ahel, Dmitri V. Filippov, Johannes Gregor Matthias Rack
Journal Of Biological Chemistry, 20 Sept 2024 DOI: 10.1016/j.jbc.2024.107770 Journal Paper B21-High Throughput SAXS I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) open access ARCIMBOLDO at low resolution: Verification for coiled coils and globular proteins Iracema Caballero, Albert Castellví, Josep Triviño, Elisabet Jiménez, Nicolas Soler, Rafael Borges, Isabel Uson
Protein Science, 33 Sept 2024 DOI: 10.1002/pro.5136 Structural basis for inhibition of the SARS‐CoV‐2 nsp16 by substrate‐based dual site inhibitors Gints Kalnins, Laura Rudusa, Anna Bula, Diana Zelencova-Gopejenko, Olga Bobileva, Mihails Sisovs, Kaspars Tars, Aigars Jirgensons, Kristaps Jaudzems, Raitis Bobrovs
Chemmedchem, Sept 2024 DOI: 10.1002/cmdc.202400618 Development of tunable mechanism-based carbasugar ligands that stabilize glycoside hydrolases through the formation of transient covalent intermediates Sandeep Bhosale, Sachin Kandalkar, Pierre-André Gilormini, Oluwafemi Akintola, Rhianna Rowland, Pal John Pal Adabala, Dustin King, Matthew C. Deen, Xi Chen, Gideon J. Davies, David J. Vocadlo, Andrew J. Bennet
Acs Catalysis, Sept 2024 DOI: 10.1021/acscatal.4c04549 Journal Paper I03-Macromolecular Crystallography I04-Macromolecular Crystallography open access Biochemical and crystallographic studies of l,d-transpeptidase 2 from Mycobacterium tuberculosis with its natural monomer substrate Mariska De Munnik, Pauline A. Lang, Karina Calvopina, Patrick Rabe, Jurgen Brem, Christopher J. Schofield
Communications Biology, 7 Sept 2024 DOI: 10.1038/s42003-024-06785-3 Characterization of a cytochrome P450 that catalyzes the O-demethylation of lignin-derived benzoates Megan E. Wolf, Daniel J. Hinchen, John E. Mcgeehan, Lindsay D. Eltis
Journal Of Biological Chemistry, 105 Sept 2024 DOI: 10.1016/j.jbc.2024.107809 Crystallographic and selectivity studies on the approved HIF prolyl hydroxylase inhibitors desidustat and enarodustat Thomas P. Corner, Eidarus Salah, Anthony Tumber, Samanpreet Kaur, Yu Nakashima, Mark D. Allen, Lara I. Schnaubelt, Giorgia Fiorini, Lennart Brewitz, Christopher Schofield
Chemmedchem, Sept 2024 DOI: 10.1002/cmdc.202400504 Structural basis of Pseudomonas aeruginosa penicillin binding protein 3 inhibition by the siderophore-antibiotic cefiderocol Helen G. Smith, Shyam Basak, Victor Aniebok, Matthew J. Beech, Faisal M. Alshref, Mark D. Allen, Alistair J. M. Farley, Christopher J. Schofield
Chemical Science, 8 Sept 2024 DOI: 10.1039/D4SC04937C Structure-guided design of C3-branched swainsonine as potent and selective human Golgi α-mannosidase (GMII) inhibitor Tony Koemans, Herman S. Overkleeft, Megan Bennett, Maria J. Ferraz, Zachary Armstrong, Marta Artola, Hans Aerts, Jeroen D. C. Codee, Gideon J. Davies
Chemical Communications, Sept 2024 DOI: 10.1039/D4CC04514A Dynamical responses predict a distal site that modulates activity in an antibiotic resistance enzyme Michael Beer, Ana Sofia F. Oliveira, Catherine L. Tooke, Philip Hinchliffe, Angie Tsz Yan Li, Balazs Balega, James Spencer, Adrian J. Mulholland
Chemical Science, 399 Sept 2024 DOI: 10.1039/D4SC03295K HLA A*24:02–restricted T cell receptors cross-recognize bacterial and preproinsulin peptides in type 1 diabetes Garry Dolton, Anna Bulek, Aaron Wall, Hannah Thomas, Jade R. Hopkins, Cristina Rius, Sarah A. E. Galloway, Thomas Whalley, Li Rong Tan, Théo Morin, Nader Omidvar, Anna Fuller, Katie Topley, Md Samiul Hasan, Shikha Jain, Nirupa D’souza, Thomas Hodges-Hoyland, Owen B. Spiller, Deborah Kronenberg-Versteeg, Barbara Szomolay, Hugo A. Van Den Berg, Lucy C. Jones, Mark Peakman, David K. Cole, Pierre J. Rizkallah, Andrew K. Sewell
Journal Of Clinical Investigation, 134 Sept 2024 DOI: 10.1172/JCI164535 Journal Paper I03-Macromolecular Crystallography I04-Macromolecular Crystallography open access Gram-scale enzymatic synthesis of 2′-deoxyribonucleoside analogues using nucleoside transglycosylase-2 Admir Salihovic, Alex Ascham, Andrea Taladriz-Sender, Samantha Bryson, Jamie M. Withers, Iain J. W. Mckean, Paul A. Hoskisson, Gideon Grogan, Glenn A. Burley
Chemical Science, 15 Sept 2024 DOI: 10.1039/D4SC04938A Crystallographic fragment-binding studies of the Mycobacterium tuberculosis trifunctional enzyme suggest binding pockets for the tails of the acyl-CoA substrates at its active sites and a potential substrate-channeling path between them Subhadra Dalwani, Alexander Metz, Franziska U. Huschmann, Manfred S. Weiss, Rik K. Wierenga, Rajaram Venkatesan
Acta Crystallographica Section D Structural Biology, 80 Aug 2024 DOI: 10.1107/S2059798324006557 Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) open access Discovery of RGT-018: a potent, selective and orally bioavailable SOS1 inhibitor for KRAS-driven cancers Fei Xiao, Kailiang Wang, Xinjuan Wang, Huijuan Li, Zhilong Hu, Xiaoming Ren, Wei Huang, Teng Feng, Lili Yao, Jing Lin, Chunlai Li, Zhuanzhuan Zhang, Liufeng Mei, Xiaotian Zhu, Wenge Zhong, Zhi Xie
Molecular Cancer Therapeutics, Aug 2024 DOI: 10.1158/1535-7163.MCT-24-0049 The effect of pH on the structure of Bluetongue virus VP5 Hanwen Zhang, Kamel El Omari, Geoff Sutton, David I. Stuart
Journal Of General Virology, 105 Aug 2024 DOI: 10.1099/jgv.0.002018 Development of an artificial peroxidase based on a human carbonic anhydrase protein Iori Morita
Aug 2024 Thesis I03-Macromolecular Crystallography
Antibiotic origami: selective formation of spirotetronates in abyssomicin biosynthesis Sbusisiwe Z. Mbatha, Catherine R. Back, Andrew J. Devine, Hannah M. Mulliner, Samuel T. Johns, Harry Lewin, Kaiman A. Cheung, Katja Zorn, James E. M. Stach, Martin A. Hayes, Marc W. Van Der Kamp, Paul R. Race, Christine L. Willis
Chemical Science, 23 Aug 2024 DOI: 10.1039/D4SC03253E Structure-based design of bicyclic helical peptides that target the oncogene β-catenin Alejandro Yeste-Vázquez, Felix M. Paulussen, Mathias Wendt, Rasmus Klintrot, Clemens Schulte, Kerstin Wallraven, Lieke Van Gijzel, Boris Simeonov, Maurice Van Der Gaag, Alan Gerber, Hans M. Maric, Sven Hennig, Tom N. Grossmann
Angewandte Chemie International Edition, Aug 2024 DOI: 10.1002/anie.202411749 Journal Paper I03-Macromolecular Crystallography I04-Macromolecular Crystallography Structural insights into Frizzled3 through nanobody modulators James Hillier, Yuguang Zhao, Loic Carrique, Tomas Malinauskas, Reinis R. Ruza, Tao-Hsin Chang, Gangshun Yi, Helen M. E. Duyvesteyn, Jing Yu, Weixian Lu, Els Pardon, Jan Steyaert, Yanan Zhu, Tao Ni, E. Yvonne Jones
Nature Communications, 15 Aug 2024 DOI: 10.1038/s41467-024-51451-1 Journal Paper I03-Macromolecular Crystallography Krios II-Titan Krios II at Diamond open access Design, synthesis, and in vitro biological evaluation of meta-sulfonamidobenzamide-based antibacterial LpxH inhibitors Andrea Benediktsdottir, Sanjeewani Sooriyaarachchi, Sha Cao, Nina E. Ottosson, Stefan Lindström, Bo Lundgren, Katharina Klöditz, Daina Lola, Olga Bobileva, Einars Loza, Diarmaid Hughes, T. Alwyn Jones, Sherry L. Mowbray, Edouard Zamaratski, Anja Sandström, Anders Karlén
European Journal Of Medicinal Chemistry, 66 Aug 2024 DOI: 10.1016/j.ejmech.2024.116790 Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) open access The role of water networks in phosphodiesterase inhibitor dissociation and kinetic selectivity Antoni R. Blaazer, Abhimanyu K. Singh, Lorena Zara, Pierre Boronat, Lady J. Bautista, Steve Irving, Maciej Majewski, Xavier Barril, Maikel Wijtmans, U. Helena Danielson, Geert Jan Sterk, Rob Leurs, Jacqueline E. Van Muijlwijk-Koezen, David G. Brown, Iwan De Esch
Chemmedchem, Aug 2024 DOI: 10.1002/cmdc.202400417 Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-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 Extracellular proteolysis of tandemly duplicated pheromone propeptides affords additional complexity to bacterial quorum sensing Alonso Felipe-Ruiz, Sara Zamora-Caballero, Shira Omer Bendori, José R. Penadés, Avigdor Eldar, Alberto Marina
Plos Biology, 22 Aug 2024 DOI: 10.1371/journal.pbio.3002744 Animal and bacterial viruses share conserved mechanisms of immune evasion Samuel J. Hobbs, Jason Nomburg, Jennifer A. Doudna, Philip J. Kranzusch
Cell, 22 Aug 2024 DOI: 10.1016/j.cell.2024.07.057 Structural insight into the function of human peptidyl arginine deiminase 6 Jack P. C. Williams, Stephane Mouilleron, Rolando Hernandez Trapero, M. Teresa Bertran, Joseph A. Marsh, Louise J. Walport
Computational And Structural Biotechnology Journal, Aug 2024 DOI: 10.1016/j.csbj.2024.08.019 Structural insights into i-motif DNA structures in sequences from the insulin-linked polymorphic region Dilek Guneri, Effrosyni Alexandrou, Kamel El Omari, Zuzana Dvořáková, Rupesh V. Chikhale, Daniel T. S. Pike, Christopher A. Waudby, Christopher J. Morris, Shozeb Haider, Gary N. Parkinson, Zoë A. E. Waller
Nature Communications, 15 Aug 2024 DOI: 10.1038/s41467-024-50553-0 Journal Paper I03-Macromolecular Crystallography I23-Long wavelength MX open access The crystal structure of Shethna protein II (FeSII) from Azotobacter vinelandii suggests a domain swap Burak V. Kabasakal, Ciaran R. Mcfarlane, Charles A. R. Cotton, Anna Schmidt, Andrea Kung, Lucas Lieber, James W. Murray
Acta Crystallographica Section D Structural Biology, 80 Aug 2024 DOI: 10.1107/S2059798324005928 Synthesis and evaluation of chemical linchpins for highly selective CK2α targeting Francesco A. Greco, Andreas Kramer, Laurenz Wahl, Lewis Elson, Theresa A.l. Ehret, Joshua Gerninghaus, Janina Möckel, Susanne Müller, Thomas Hanke, Stefan Knapp
European Journal Of Medicinal Chemistry, 125 Jul 2024 DOI: 10.1016/j.ejmech.2024.116672 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 Probing ferryl reactivity in a nonheme iron oxygenase using an expanded genetic code Florence J. Hardy, Matthew G. Quesne, Emilie F. Gérard, Jingming Zhao, Mary Ortmayer, Christopher J. Taylor, Hafiz S. Ali, Jeffrey W. Slater, Colin W. Levy, Derren J. Heyes, J. Martin Bollinger, Sam P. De Visser, Anthony P. Green
Acs Catalysis, Jul 2024 DOI: 10.1021/acscatal.4c02365 Discovery of two highly selective structurally orthogonal chemical probes for activin receptor-like kinases 1 and 2 Václav Němec, Marek Remeš, Petr Beňovský, Michael C. Böck, Eliška Šranková, Jong Fu Wong, Julien Cros, Eleanor Williams, Lap Hang Tse, David Smil, Deeba Ensan, Methvin B. Isaac, Rima Al-Awar, Regina Gomolková, Vlad-Constantin Ursachi, Bohumil Fafílek, Zuzana Kahounová, Ráchel Víchová, Ondřej Vacek, Benedict-Tilman Berger, Carrow I. Wells, Cesear R. Corona, James D. Vasta, Matthew B. Robers, Pavel Krejci, Karel Souček, Alex N. Bullock, Stefan Knapp, Kamil Paruch
Journal Of Medicinal Chemistry, Jul 2024 DOI: 10.1021/acs.jmedchem.4c00629 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 Structural and functional insights underlying recognition of histidine phosphotransfer protein in fungal phosphorelay systems Francisco Paredes-Martinez, Lluís Eixerés, Sara Zamora-Caballero, Patricia Casino
Communications Biology, 7 Jul 2024 DOI: 10.1038/s42003-024-06459-0 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 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
Functional and structural characterization of clinical-stage Janus kinase 2 inhibitors identifies determinants for drug selectivity Ya Miao, Anniina Virtanen, Jakub Zmajkovic, Morgane Hilpert, Radek C. Skoda, Olli Silvennoinen, Teemu Haikarainen
Journal Of Medicinal Chemistry, June 2024 DOI: 10.1021/acs.jmedchem.4c00197 A targeted single mutation in influenza A virus universal epitope transforms immunogenicity and protective immunity via CD4+ T cell activation Sarah Hulin-Curtis, James K. Geary, Bruce J. Maclachlan, Danny M. Altmann, Laury Baillon, David K. Cole, Alexander Greenshields-Watson, Sophie J. Hesketh, Ian R. Humphreys, Ian M. Jones, Sarah N. Lauder, Georgina H. Mason, Kathryn Smart, D. Oliver Scourfield, Jake Scott, Ksenia Sukhova, Richard J. Stanton, Aaron Wall, Pierre J. Rizkallah, Wendy S. Barclay, Awen Gallimore, Andrew Godkin
Cell Reports, 43 June 2024 DOI: 10.1016/j.celrep.2024.114259 The Legionella collagen-like protein employs a distinct binding mechanism for the recognition of host glycosaminoglycans Saima Rehman, Anna Katarina Antonovic, Ian E. Mcintire, Huaixin Zheng, Leanne Cleaver, Maria Baczynska, Carlton O. Adams, Theo Portlock, Katherine Richardson, Rosie Shaw, Alain Oregioni, Giulia Mastroianni, Sara B-M. Whittaker, Geoff Kelly, Christian D. Lorenz, Arianna Fornili, Nicholas P. Cianciotto, James A. Garnett
Nature Communications, 15 June 2024 DOI: 10.1038/s41467-024-49255-4 Journal Paper B21-High Throughput SAXS I03-Macromolecular Crystallography open access Structural basis for IL-33 recognition and its antagonism by the helminth effector protein HpARI2 Abhishek Jamwal, Florent Colomb, Henry J. Mcsorley, Matthew K. Higgins
Nature Communications, 15 June 2024 DOI: 10.1038/s41467-024-49550-0 Journal Paper B21-High Throughput SAXS I03-Macromolecular Crystallography I04-Macromolecular Crystallography open access Kinetoplastid kinetochore proteins KKT14–KKT15 are divergent Bub1/BubR1–Bub3 proteins Daniel Ballmer, William Carter, Jolien J. E. Van Hooff, Eelco C. Tromer, Midori Ishii, Patryk Ludzia, Bungo Akiyoshi
Open Biology, 14 June 2024 DOI: 10.1098/rsob.240025 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 A small-molecule inhibitor of factor inhibiting HIF binding to a tyrosine-flip pocket for the treatment of obesity Yue Wu, Yafen Chen, Thomas Corner, Yu Nakashima, Eidarus Salah, Zhihong Li, Linjian Zhang, Le Yang, Anthony Tumber, Zhuoli Sun, Yukang Wen, Ailin Zhong, Fulai Yang, Xiang Li, Zhihong Zhang, Christopher Schofield, Xiaojin Zhang
Angewandte Chemie International Edition, June 2024 DOI: 10.1002/anie.202410438 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 Fragment-based discovery of novel MUS81 inhibitors Gavin W. Collie, Ulf Börjesson, Yunhua Chen, Zhiqiang Dong, Paolo Di Fruscia, Andrea Gohlke, Anna Hoyle, Thomas A. Hunt, Mehul H. Jesani, Haiou Luo, Jakub Luptak, Alexander G. Milbradt, Priyanka Narasimhan, Martin Packer, Saleha Patel, Jingchuan Qiao, R. Ian Storer, Christopher J. Stubbs, Jonathan Tart, Caroline Truman, Anderson T. Wang, Matthew G. Wheeler, Jon Winter-Holt
Acs Medicinal Chemistry Letters, June 2024 DOI: 10.1021/acsmedchemlett.3c00453 Journal Paper I03-Macromolecular Crystallography I04-Macromolecular Crystallography open access Fragment-based discovery of a series of allosteric-binding site modulators of β-glucocerebrosidase Nick Palmer, Christopher Agnew, Caroline Benn, William J. Buffham, Joan N. Castro, Gianni Chessari, Mellissa Clark, Benjamin D. Cons, Joseph E. Coyle, Lee A. Dawson, Christopher C. F. Hamlett, Charlotte Hodson, Finn Holding, Christopher N. Johnson, John W. Liebeschuetz, Pravin Mahajan, James M. Mccarthy, Christopher W. Murray, Marc O’reilly, Torren Peakman, Amanda Price, Magdalini Rapti, Judith Reeks, Patrick Schöpf, Jeffrey D. St-Denis, Chiara Valenzano, Nicola G. Wallis, Reto Walser, Heather Weir, Nicola E. Wilsher, Andrew Woodhead, Carla F. Bento, Dominic Tisi
Journal Of Medicinal Chemistry, June 2024 DOI: 10.1021/acs.jmedchem.4c00702 Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography Kinetic and structural characterization of NUDT15 and NUDT18 as catalysts of isoprene pyrophosphate hydrolysis Emma Scaletti, Judith E. Unterlass, Ingrid Almlöf, Tobias Koolmeister, Karl S. Vallin, Despina Kapsitidou, Viktoriia Tsuber, Thomas Helleday, Pal Stenmark, Ann-Sofie Jemth
The Febs Journal, 39 June 2024 DOI: 10.1111/febs.17202 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 Crystal structure of human peptidylarginine deiminase type VI (PAD6) provides insights into its inactivity Fanomezana M. Ranaivoson, Rieke Bande, Isabell Cardaun, Antonio De Riso, Annette Gärtner, Pui Loke, Christina Reinisch, Prasuna Vogirala, Edward Beaumont
Iucrj, 11 May 2024 DOI: 10.1107/S2052252524002549 A structure-function analysis shows SARS-CoV-2 BA.2.86 balances antibody escape and ACE2 affinity Chang Liu, Daming Zhou, Aiste Dijokaite-Guraliuc, Piyada Supasa, Helen M. E. Duyvesteyn, Helen M. Ginn, Muneeswaran Selvaraj, Alexander J. Mentzer, Raksha Das, Thushan I. De Silva, Thomas G. Ritter, Megan Plowright, Thomas A.h. Newman, Lizzie Stafford, Barbara Kronsteiner, Nigel Temperton, Yuan Lui, Martin Fellermeyer, Philip Goulder, Paul Klenerman, Susanna J. Dunachie, Michael I. Barton, Mikhail A. Kutuzov, Omer Dushek, Elizabeth E. Fry, Juthathip Mongkolsapaya, Jingshan Ren, David I. Stuart, Gavin R. Screaton
Cell Reports Medicine, 376 May 2024 DOI: 10.1016/j.xcrm.2024.101553 Cachd1 interacts with Wnt receptors and regulates neuronal asymmetry in the zebrafish brain Gareth T. Powell, Ana Faro, Yuguang Zhao, Heather Stickney, Laura Novellasdemunt, Pedro Henriques, Gaia Gestri, Esther Redhouse White, Jingshan Ren, Weixian Lu, Rodrigo M. Young, Thomas A. Hawkins, Florencia Cavodeassi, Quenten Schwarz, Elena Dreosti, David W. Raible, Vivian S. W. Li, Gavin J. Wright, E. Yvonne Jones, Stephen W. Wilson
Science, 384 May 2024 DOI: 10.1126/science.ade6970 Re-pairing DNA: Binding of a ruthenium phi complex to a double mismatch Christine J. Cardin, Tayler D. Prieto Otoya, Kane T. Mcquaid, Neil G. Paterson, David J. Cardin, Andrew Kellett
Chemical Science, May 2024 DOI: 10.1039/D4SC01448K ATP mimetics targeting prolyl-tRNA synthetases as a new avenue for antimalarial drug development Siddhartha Mishra, Nipun Malhotra, Benoît Laleu, Soumyananda Chakraborti, Manickam Yogavel, Amit Sharma
Iscience, May 2024 DOI: 10.1016/j.isci.2024.110049 Structure and function of the ROR2 cysteine-rich domain in vertebrate noncanonical WNT5A signaling Samuel C. Griffiths, Jia Tan, Armin Wagner, Levi L. Blazer, Jarret J. Adams, Srisathya Srinivasan, Shayan Moghisaei, Sachdev S. Sidhu, Christian Siebold, Hsin-Yi Henry Ho
Elife, 13 May 2024 DOI: 10.7554/eLife.71980 Journal Paper B21-High Throughput SAXS I03-Macromolecular Crystallography I23-Long wavelength MX open access Structural and mechanistic insights into the transport of aristolochic acids and their active metabolites by human serum albumin Sergei Pomyalov, Conceição A. Minetti, David P. Remeta, Radha Bonala, Francis Johnson, Irina Zaitseva, Charles Iden, Urszula Golebiewska, Kenneth J. Breslauer, Gil Shoham, Viktoriya S. Sidorenko, Arthur P. Grollman
Journal Of Biological Chemistry, 86 May 2024 DOI: 10.1016/j.jbc.2024.107358 Discovery and optimization of potent, efficacious and selective inhibitors targeting EGFR Exon20 insertion mutations Clare Thomson, Peter Barton, Erin Braybrooke, Nicola Colclough, Zhiqiang Dong, Laura Evans, Nicolas Floc’h, Carine Guérot, David Hargreaves, Puneet Khurana, Songlei Li, Xiuwei Li, Andrew Lister, William Mccoull, Lisa Mcwilliams, Jonathan P. Orme, Martin J. Packer, Aisha M. Swaih, Richard A. Ward, Poppy Winlow, Yang Ye
Journal Of Medicinal Chemistry, May 2024 DOI: 10.1021/acs.jmedchem.4c00227 Journal Paper I02-Macromolecular Crystallography I03-Macromolecular Crystallography I04-Macromolecular Crystallography 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
Oxidative damage of nucleic acids & its consequences: towards an understanding at an atomic level M. C. Lambert
May 2024 DOI: 10.48683/1926.00116684 Thesis I03-Macromolecular Crystallography Emerging variants develop total escape from potent monoclonal antibodies induced by BA.4/5 infection Chang Liu, Raksha Das, Aiste Dijokaite-Guraliuc, Daming Zhou, Alexander J. Mentzer, Piyada Supasa, Muneeswaran Selvaraj, Helen M. E. Duyvesteyn, Thomas G. Ritter, Nigel Temperton, Paul Klenerman, Susanna J. Dunachie, Neil G. Paterson, Mark A. Williams, David R. Hall, Elizabeth E. Fry, Juthathip Mongkolsapaya, Jingshan Ren, David I. Stuart, Gavin R. Screaton
Nature Communications, 15 Apr 2024 DOI: 10.1038/s41467-024-47393-3 Journal Paper I03-Macromolecular Crystallography I04-Macromolecular Crystallography open access The IgG-specific endoglycosidases EndoS and EndoS2 are distinguished by conformation and antibody recognition Abigail S. L. Sudol, Max Crispin, Ivo Tews
Journal Of Biological Chemistry, 11 Apr 2024 DOI: 10.1016/j.jbc.2024.107245 The pan-RAF-MEK non degrading molecular glue NST-628 is a potent and brain penetrant inhibitor of the RAS-MAPK pathway with activity across diverse RAS- and RAF-driven cancers Meagan B. Ryan, Bradley Quade, Natasha Schenk, Zhong Fang, Marshall Zingg, Steven E. Cohen, Brooke M. Swalm, Chun Li, Aysegul Ozen, Chaoyang Ye, Maria Stella Ritorto, Xin Huang, Arvin C. Dar, Yongxin Han, Klaus P. Hoeflich, Michael Hale, Margit Hagel
Cancer Discovery, Apr 2024 DOI: 10.1158/2159-8290.CD-24-0139 Crystal structure of bimekizumab Fab fragment in complex with IL-17F provides molecular basis for dual IL-17A and IL-17F Inhibition Ralph Adams, Christopher G. Bunick, Alastair D. G. Lawson, Braulio Gomez, Stevan Shaw
Journal Of Investigative Dermatology, 11 Apr 2024 DOI: 10.1016/j.jid.2024.03.037 Detection of sulfoquinovosidase activity in cell lysates using activity-based probes Zirui Li, Isabelle Pickles, Mahima Sharma, Benjamin Melling, Jeroen Codee, Luise Pallasdies, Spencer Williams, Herman Overkleeft, Gideon J. Davies
Angewandte Chemie International Edition, Apr 2024 DOI: 10.1002/anie.202401358 Discovery of TNG908: a selective, brain penetrant, MTA-cooperative PRMT5 inhibitor that is synthetically lethal with MTAP-deleted cancers Kevin M. Cottrell, Kimberly J. Briggs, Douglas A. Whittington, Haris Jahic, Janid A. Ali, Charles B. Davis, Shanzhong Gong, Deepali Gotur, Lina Gu, Patrick Mccarren, Matthew R. Tonini, Alice Tsai, Erik W. Wilker, Hongling Yuan, Minjie Zhang, Wenhai Zhang, Alan Huang, John P. Maxwell
Journal Of Medicinal Chemistry, Apr 2024 DOI: 10.1021/acs.jmedchem.4c00133 SilE-R and SilE-S - DABB proteins catalyzing enantiospecific hydrolysis of organosilyl ethers Lisa M. Pick, Viviane Oehme, Julia Hartmann, Jessica Wenzlaff, Qingyun Tang, Gideon Grogan, Marion B. Ansorge-Schumacher
Angewandte Chemie International Edition, Apr 2024 DOI: 10.1002/anie.202404105 Application of an NMR/crystallography fragment screening platform for the assessment and rapid discovery of new HIV‐CA binding fragments Stuart Lang, Dan A. Fletcher, Alain-Pierre Petit, Nicola Luise, Paul K. Fyfe, Fabio Zuccotto, David Porter, Anthony Hope, Fiona Bellany, Catrina Kerr, Claire J. Mackenzie, Paul G. Wyatt, David W. Gray
Chemmedchem, Apr 2024 DOI: 10.1002/cmdc.202400025 Conformational and electronic variations in 1,2- and 1,6-cyclophellitols and their impact on retaining α-glucosidase inhibition Tim P. Ofman, Jurriaan J. A. Heming, Alba Nin-Hill, Florian Küllmer, Elisha Moran, Megan Bennett, Roy Steneker, Anne-Mei Klein, Gijs Ruijgrok, Ken Kok, Zach W. B. Armstrong, Johannes M. F. G. Aerts, Gijsbert A. Van Der Marel, Carme Rovira, Gideon J. Davies, Marta Artola, Jeroen D. C. Codée, Hermen S. Overkleeft
Chemistry – A European Journal, Apr 2024 DOI: 10.1002/chem.202400723 Journal Paper I03-Macromolecular Crystallography I04-Macromolecular Crystallography open access Antibiotic class with potent in vivo activity targeting lipopolysaccharide synthesis in Gram-negative bacteria Douglas L. Huseby, Sha Cao, Edouard Zamaratski, Sanjeewani Sooriyaarachchi, Shabbir Ahmad, Terese Bergfors, Laura Krasnova, Juris Pelss, Martins Ikaunieks, Einars Loza, Martins Katkevics, Olga Bobileva, Helena Cirule, Baiba Gukalova, Solveiga Grinberga, Maria Backlund, Ivailo Simoff, Anna T. Leber, Talía Berruga-Fernández, Dmitry Antonov, Vivekananda R. Konda, Stefan Lindström, Gustav Olanders, Peter Brandt, Pawel Baranczewski, Carina Vingsbo Lundberg, Edgars Liepinsh, Edgars Suna, T. Alwyn Jones, Sherry L. Mowbray, Diarmaid Hughes, Anders Karlén
Proceedings Of The National Academy Of Sciences, 121 Apr 2024 DOI: 10.1073/pnas.2317274121 Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) open access Unexpected noncovalent off-target activity of clinical btk inhibitors leads to discovery of a dual NUDT5/14 antagonist Esra Balikci, Anne-Sophie M. C. Marques, Ludwig G. Bauer, Raina Seupel, James Bennett, Brigitt Raux, Karly Buchan, Klemensas Simelis, Usha Singh, Catherine Rogers, Jennifer Ward, Carol Cheng, Tamas Szommer, Kira Schützenhofer, Jonathan M. Elkins, David L. Sloman, Ivan Ahel, Oleg Fedorov, Paul E. Brennan, Kilian V. M. Huber
Journal Of Medicinal Chemistry, Apr 2024 DOI: 10.1021/acs.jmedchem.4c00072 Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) open access Cell-active small molecule inhibitors validate the SNM1A DNA repair nuclease as a cancer target Marcin Bielinski, Lucy R. Henderson, Yuliana Yosaatmadja, Lonnie P. Swift, Hannah T. Baddock, Matthew J. Bowen, Jurgen Brem, Philip S. Jones, Stuart P. Mcelroy, Angus Morrison, Michael Speake, Stan Van Boeckel, Els Van Doornmalen, Jan Van Groningen, Helma Van Den Hurk, Opher Gileadi, Joseph A Newman, Peter J. Mchugh, Christopher J. Schofield
Chemical Science, 60 Apr 2024 DOI: 10.1039/D4SC00367E Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access Prospective de novo drug design with deep interactome learning Kenneth Atz, Leandro Cotos, Clemens Isert, Maria Håkansson, Dorota Focht, Mattis Hilleke, David F. Nippa, Michael Iff, Jann Ledergerber, Carl C. G. Schiebroek, Valentina Romeo, Jan A. Hiss, Daniel Merk, Petra Schneider, Bernd Kuhn, Uwe Grether, Gisbert Schneider
Nature Communications, 15 Apr 2024 DOI: 10.1038/s41467-024-47613-w 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 Molecular basis of JAK2 activation in erythropoietin receptor and pathogenic JAK2 signaling Bobin George Abraham, Teemu Haikarainen, Joni Vuorio, Mykhailo Girych, Anniina T. Virtanen, Antti Kurttila, Christos Karathanasis, Mike Heilemann, Vivek Sharma, Ilpo Vattulainen, Olli Silvennoinen
Science Advances, 10 Mar 2024 DOI: 10.1126/sciadv.adl2097 NMR study of the structure and dynamics of the BRCT domain from the kinetochore protein KKT4 Patryk Ludzia, Hanako Hayashi, Timothy Robinson, Bungo Akiyoshi, Christina Redfield
Biomolecular Nmr Assignments, 156 Mar 2024 DOI: 10.1007/s12104-024-10163-9 α-methylacyl-CoA racemase from Mycobacterium tuberculosis - detailed kinetic and structural characterization of the active site Otsile O. Mojanaga, Timothy J. Woodman, Matthew D. Lloyd, K. Ravi Acharya
Biomolecules, 14 Mar 2024 DOI: 10.3390/biom14030299 Journal Paper I03-Macromolecular Crystallography I04-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 A non-canonical nucleophile unlocks a new mechanistic pathway in a designed enzyme Amy E. Hutton, Jake Foster, Rebecca Crawshaw, Florence J. Hardy, Linus O. Johannissen, Thomas M. Lister, Emilie F. Gérard, Zachary Birch-Price, Richard Obexer, Sam Hay, Anthony P. Green
Nature Communications, 15 Mar 2024 DOI: 10.1038/s41467-024-46123-z Development of a series of pyrrolopyridone MAT2A inhibitors Stephen J. Atkinson, Sharan K. Bagal, Argyrides Argyrou, Sean Askin, Tony Cheung, Elisabetta Chiarparin, Muireann Coen, Iain T. Collie, Ian L. Dale, Claudia De Fusco, Keith Dillman, Laura Evans, Lyman J. Feron, Alison J. Foster, Michael Grondine, Vasudev Kantae, Gillian M. Lamont, Scott Lamont, James T. Lynch, Sten Nilsson Lill, Graeme R. Robb, Jamal Saeh, Marianne Schimpl, James S. Scott, James Smith, Bharath Srinivasan, Sharon Tentarelli, Mercedes Vazquez-Chantada, David Wagner, Jarrod J. Walsh, David Watson, Beth Williamson
Journal Of Medicinal Chemistry, Mar 2024 DOI: 10.1021/acs.jmedchem.3c01860 Journal Paper I03-Macromolecular Crystallography I04-Macromolecular Crystallography Discovery of conformationally constrained ALK2 inhibitors Héctor González-Álvarez, Deeba Ensan, Tao Xin, Jong Fu Wong, Carlos A. Zepeda-Velázquez, Julien Cros, Laurent Hoffer, Taira Kiyota, Brian J. Wilson, Ahmed Aman, Owen Roberts, Methvin B. Isaac, Alex N. Bullock, David Smil, Rima Al-Awar
Journal Of Medicinal Chemistry, Mar 2024 DOI: 10.1021/acs.jmedchem.3c02308 A novel pathological mutant reveals the role of torsional flexibility in the serpin breach in adoption of an aggregation‐prone intermediate Kamila Kamuda, Riccardo Ronzoni, Avik Majumdar, Fiona H. X. Guan, James A. Irving, David A. Lomas
The Febs Journal, 6 Mar 2024 DOI: 10.1111/febs.17121 Fragment-based discovery of allosteric inhibitors of SH2 domain-containing protein tyrosine phosphatase-2 (SHP2) James E. H. Day, Valerio Berdini, Joan Castro, Gianni Chessari, Thomas G. Davies, Philip J. Day, Jeffrey D. St. Denis, Hideto Fujiwara, Satoshi Fukaya, Christopher C. F. Hamlett, Keisha Hearn, Steven D. Hiscock, Rhian S. Holvey, Satoru Ito, Navrohit Kandola, Yasuo Kodama, John W. Liebeschuetz, Vanessa Martins, Kenichi Matsuo, Paul N. Mortenson, Sandra Muench, Yoko Nakatsuru, Hiroaki Ochiiwa, Nicholas Palmer, Torren Peakman, Amanda Price, Michael Reader, David C. Rees, Sharna J. Rich, Alpesh Shah, Yoshihiro Shibata, Tomoko Smyth, David G. Twigg, Nicola G. Wallis, Glyn Williams, Nicola E. Wilsher, Andrew Woodhead, Tadashi Shimamura, Christopher N. Johnson
Journal Of Medicinal Chemistry, 106 Mar 2024 DOI: 10.1021/acs.jmedchem.3c02118 Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography Cyclic β2,3-amino acids improve the serum stability of macrocyclic peptide inhibitors targeting the SARS-CoV-2 main protease Takashi Miura, Tika R. Malla, Lennart Brewitz, Anthony Tumber, Eidarus Salah, Kang Ju Lee, Naohiro Terasaka, C. David Owen, Claire Strain-Damerell, Petra Lukacik, Martin A. Walsh, Akane Kawamura, Christopher J. Schofield, Takayuki Katoh, Hiroaki Suga
Bulletin Of The Chemical Society Of Japan, Mar 2024 DOI: 10.1093/bulcsj/uoae018 Molecular stripping underpins derepression of a toxin–antitoxin system Grzegorz J. Grabe, Rachel T. Giorgio, Miłosz Wieczór, Bridget Gollan, Molly Sargen, Modesto Orozco, Stephen A. Hare, Sophie Helaine
Nature Structural & Molecular Biology, 181 Mar 2024 DOI: 10.1038/s41594-024-01253-2 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 Structural basis of specific IgG deactivation by streptococcal immune evasion enzymes Abigail S. L. Sudol
Mar 2024 Thesis I03-Macromolecular Crystallography I04-Macromolecular Crystallography
Photocobilins integrate B12 and bilin photochemistry for enzyme control Shaowei Zhang, Laura N. Jeffreys, Harshwardhan Poddar, Yuqi Yu, Chuanyang Liu, Kaylee Patel, Linus O. Johannissen, Lingyun Zhu, Matthew J. Cliff, Cunyu Yan, Giorgio Schirò, Martin Weik, Michiyo Sakuma, Colin W. Levy, David Leys, Derren J. Heyes, Nigel S. Scrutton
Nature Communications, 15 Mar 2024 DOI: 10.1038/s41467-024-46995-1 Journal Paper I03-Macromolecular Crystallography I04-Macromolecular Crystallography open access Capture-and-release of a sulfoquinovose-binding protein on sulfoquinovose-modified agarose Thimali Arumapperuma, Alexander J. D. Snow, Mihwa Lee, Mahima Sharma, Yunyang Zhang, James P. Lingford, Ethan D. Goddard-Borger, Gideon J. Davies, Spencer J. Williams
Organic & Biomolecular Chemistry, 23 Mar 2024 DOI: 10.1039/D4OB00307A Journal Paper I03-Macromolecular Crystallography I04-Macromolecular Crystallography Identification of fragments targeting SMYD3 using highly sensitive kinetic and multiplexed biosensor-based screening Edward A. Fitzgerald, Daniela Cederfelt, Bjarte Aarmo Lund, Nadine E. M. Myers, He Zhang, Doreen Dobritzsch, U. Helena Danielson
Rsc Medicinal Chemistry, 16 Mar 2024 DOI: 10.1039/D4MD00093E Structures, functions and adaptations of the human LINE-1 ORF2 protein Eric T. Baldwin, Trevor Van Eeuwen, David Hoyos, Arthur Zalevsky, Egor P. Tchesnokov, Roberto Sánchez, Bryant D. Miller, Luciano H. Di Stefano, Francesc Xavier Ruiz, Matthew Hancock, Esin Işik, Carlos Mendez-Dorantes, Thomas Walpole, Charles Nichols, Paul Wan, Kirsi Riento, Rowan Halls-Kass, Martin Augustin, Alfred Lammens, Anja Jestel, Paula Upla, Kera Xibinaku, Samantha Congreve, Maximiliaan Hennink, Kacper B. Rogala, Anna M. Schneider, Jennifer E. Fairman, Shawn M. Christensen, Brian Desrosiers, Gregory S. Bisacchi, Oliver L. Saunders, Nafeeza Hafeez, Wenyan Miao, Rosana Kapeller, Dennis M. Zaller, Andrej Sali, Oliver Weichenrieder, Kathleen H. Burns, Matthias Götte, Michael P. Rout, Eddy Arnold, Benjamin D. Greenbaum, Donna L. Romero, John Lacava, Martin S. Taylor
Nature, 626 Feb 2024 DOI: 10.1038/s41586-023-06947-z Synthesis and biological evaluation of 1H-pyrrolo[3,2–g]isoquinolines Mathilde Defois, Béatrice Josselin, Pierre Brindeau, Andreas Kramer, Stefan Knapp, Fabrice Anizon, Francis Giraud, Sandrine Ruchaud, Pascale Moreau
Bioorganic & Medicinal Chemistry, 100 Feb 2024 DOI: 10.1016/j.bmc.2024.117619 Leishmania profilin interacts with actin through an unusual structural mechanism to control cytoskeletal dynamics in parasites Andrea Vizcaíno-Castillo, Tommi Kotila, Konstantin Kogan, Ryuji Yanase, Juna Como, Lina Antenucci, Alphee Michelot, Jack D. Sunter, Pekka Lappalainen
Journal Of Biological Chemistry, 8 Feb 2024 DOI: 10.1016/j.jbc.2024.105740 Snapshots of the reaction coordinate of a thermophilic 2′-deoxyribonucleoside/ribonucleoside transferase Peijun Tang, Christopher J. Harding, Alison L. Dickson, Rafael G. Da Silva, David J. Harrison, Clarissa Melo Czekster
Acs Catalysis, 467 Feb 2024 DOI: 10.1021/acscatal.3c06260 Journal Paper I03-Macromolecular Crystallography I04-Macromolecular Crystallography open access Biochemical and structural studies of LjSK1, a Lotus japonicusGSK3β/SHAGGY-like kinase, reveal its functional role Theodora G. A. Solovou, Georgios Stravodimos, Georgios E. Papadopoulos, Vassiliki T. Skamnaki, Kalliope Papadopoulou, Demetres D. Leonidas
Journal Of Agricultural And Food Chemistry, Feb 2024 DOI: 10.1021/acs.jafc.3c07101 A multidisciplinary structural approach to the identification of the Haemophilus influenzae Type b capsular polysaccharide protective epitope Francesca Nonne, Lucia Dello Iacono, Sara Bertuzzi, Luca Unione, Daniela Proietti, Nathalie Norais, Immaculada Margarit, Roberto Adamo, Jesús Jiménez-Barbero, Filippo Carboni, Maria Rosaria Romano
Acs Central Science, Feb 2024 DOI: 10.1021/acscentsci.3c01515 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 Rational design of benzobisheterocycle metallo-β-lactamase inhibitors: a tricyclic scaffold enhances potency against target enzymes Valentina Villamil, Maria-Agustina Rossi, Maria F. Mojica, Philip Hinchliffe, Verónica Martínez, Valerie Castillo, Cecilia Saiz, Claudia Banchio, Mario A. Macías, James Spencer, Robert A. Bonomo, Alejandro Vila, Diego M. Moreno, Graciela Mahler
Journal Of Medicinal Chemistry, 54 Feb 2024 DOI: 10.1021/acs.jmedchem.3c02209 Structure-guided engineering of immunotherapies targeting TRBC1 and TRBC2 in T cell malignancies Mathieu Ferrari, Matteo Righi, Vania Baldan, Patrycja Wawrzyniecka, Anna Bulek, Alexander Kinna, Biao Ma, Reyisa Bughda, Zulaikha Akbar, Saket Srivastava, Isaac Gannon, Mathew Robson, James Sillibourne, Ram Jha, Mohamed El-Kholy, Oliver Muhammad Amin, Evangelia Kokalaki, Mohammed Amin Banani, Rehan Hussain, William Day, Wen Chean Lim, Priyanka Ghongane, Jade R. Hopkins, Dennis Jungherz, Marco Herling, Martin Welin, Sachin Surade, Michael Dyson, John Mccafferty, Derek Logan, Shaun Cordoba, Simon Thomas, Andrew Sewell, Paul Maciocia, Shimobi Onuoha, Martin Pule
Nature Communications, 15 Feb 2024 DOI: 10.1038/s41467-024-45854-3 Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access 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 Invention of MK-7845, a SARS-CoV-2 3CL protease inhibitor employing a novel difluorinated glutamine mimic Valerie W. Shurtleff, Mark E. Layton, Craig A. Parish, James J. Perkins, John D. Schreier, Yunyi Wang, Gregory C. Adam, Nadine Alvarez, Soheila Bahmanjah, Carolyn M. Bahnck-Teets, Christopher W. Boyce, Christine Burlein, Tamara D. Cabalu, Brian T. Campbell, Steven S. Carroll, Wonsuk Chang, Manuel De Lera Ruiz, Enriko Dolgov, John F. Fay, Nicholas G. Fox, Shih Lin Goh, Timothy J. Hartingh, Danielle M. Hurzy, Michael J. Kelly, Daniel J. Klein, Franca-Maria Klingler, Harini Krishnamurthy, Shalley Kudalkar, Todd W. Mayhood, Philip M. Mckenna, Edward M. Murray, Debbie Nahas, Christopher C. Nawrat, Steven Park, Dongming Qian, Anthony J. Roecker, Vijeta Sharma, William D. Shipe, Jing Su, Robert V. Taggart, Quang Truong, Yin Wu, Xiaoyan Zhou, Ningning Zhuang, David S. Perlin, David B. Olsen, John A. Howe, John A. Mccauley
Journal Of Medicinal Chemistry, Feb 2024 DOI: 10.1021/acs.jmedchem.3c02248 Bacterial lactonases ZenA with noncanonical structural features hydrolyze the mycotoxin zearalenone Sebastian Fruhauf, Dominic Pühringer, Michaela Thamhesl, Patricia Fajtl, Elisavet Kunz-Vekiru, Andreas Höbartner-Gussl, Gerd Schatzmayr, Gerhard Adam, Jiri Damborsky, Kristina Djinovic-Carugo, Zbynek Prokop, Wulf-Dieter Moll
Acs Catalysis, 49 Feb 2024 DOI: 10.1021/acscatal.4c00271 Journal Paper I03-Macromolecular Crystallography I04-Macromolecular Crystallography open access Structural and biochemical characterization of Arabidopsis alcohol dehydrogenases reveals distinct functional properties but similar redox sensitivity Maria Meloni, Jacopo Rossi, Silvia Fanti, Giacomo Carloni, Daniele Tedesco, Patrick Treffon, Luca Piccinini, Giuseppe Falini, Paolo Trost, Elizabeth Vierling, Francesco Licausi, Beatrice Giuntoli, Francesco Musiani, Simona Fermani, Mirko Zaffagnini
The Plant Journal, 8 Feb 2024 DOI: 10.1111/tpj.16651 Engineering the ADDobody protein scaffold for generation of high-avidity ADDomer super-binders Dora Buzas, Huan Sun, Christine Toelzer, Sathish K. N. Yadav, Ufuk Borucu, Gunjan Gautam, Kapil Gupta, Joshua C. Bufton, Julien Capin, Richard B. Sessions, Frederic Garzoni, Imre Berger, Christiane Schaffitzel
Structure, 12 Jan 2024 DOI: 10.1016/j.str.2023.12.010 Journal Paper I03-Macromolecular Crystallography I04-Macromolecular Crystallography open access The prFMNH2-binding chaperone LpdD assists UbiD decarboxylase activation Deepanker Gahloth, Karl Fisher, Stephen Marshall, David Leys
Journal Of Biological Chemistry, 632 Jan 2024 DOI: 10.1016/j.jbc.2024.105653 Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access PROTACs targeting BRM (SMARCA2) afford selective in vivo degradation over BRG1 (SMARCA4) and are active in BRG1 mutant xenograft tumor models Michael Berlin, Jennifer Cantley, Mark Bookbinder, Elizabeth Bortolon, Fabio Broccatelli, Greg Cadelina, Emily W. Chan, Huifen Chen, Xin Chen, Yunxing Cheng, Tommy K. Cheung, Kim Davenport, Dean Dinicola, Debbie Gordon, Brian D. Hamman, Alicia Harbin, Roy Haskell, Mingtao He, Alison J. Hole, Thomas Januario, Philip S. Kerry, Stefan G. Koenig, Limei Li, Mark Merchant, Inmaculada Pérez-Dorado, Jennifer Pizzano, Connor Quinn, Christopher M. Rose, Emma Rousseau, Leofal Soto, Leanna R. Staben, Hongming Sun, Qingping Tian, Jing Wang, Weifeng Wang, Crystal S. Ye, Xiaofen Ye, Penghong Zhang, Yuhui Zhou, Robert Yauch, Peter S. Dragovich
Journal Of Medicinal Chemistry, Jan 2024 DOI: 10.1021/acs.jmedchem.3c01781 Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) Probing a major DNA weakness: resolving the groove and sequence selectivity of the diimine complex [Λ‐Ru(phen)2phi]2+ Tayler Prieto Otoya, Kane Mcquaid, Joseph Hennessy, Georgia Menounou, Alex Gibney, Neil Paterson, David Cardin, Andrew Kellett, Christine J. Cardin
Angewandte Chemie International Edition, Jan 2024 DOI: 10.1002/anie.202318863 Bdellovibrio bacteriovorus uses chimeric fibre proteins to recognize and invade a broad range of bacterial hosts Simon G. Caulton, Carey Lambert, Jess Tyson, Paul Radford, Asmaa Al-Bayati, Samuel Greenwood, Emma J. Banks, Callum Clark, Rob Till, Elisabete Pires, R. Elizabeth Sockett, Andrew L. Lovering
Nature Microbiology, 9 Jan 2024 DOI: 10.1038/s41564-023-01552-2 Journal Paper I03-Macromolecular Crystallography I04-Macromolecular Crystallography open access Biochemical, biophysical, and structural analysis of an unusual DyP from the extremophile Deinococcus radiodurans Kelly Frade, Célia M. Silveira, Bruno A. Salgueiro, Sónia Mendes, Lígia O. Martins, Carlos Frazao, Smilja Todorovic, Elin Moe
Molecules, 29 Jan 2024 DOI: 10.3390/molecules29020358 Structural comparison of typical and atypical E2 pestivirus glycoproteins Hazel Aitkenhead, Christiane Riedel, Nathan Cowieson, Hans Tillmann Rümenapf, David I. Stuart, Kamel El Omari
Structure, 10 Jan 2024 DOI: 10.1016/j.str.2023.12.003 Journal Paper B21-High Throughput SAXS I03-Macromolecular Crystallography I23-Long wavelength MX open access Structure of the outer membrane porin OmpW from the pervasive pathogen Klebsiella pneumoniae Chloe Seddon, Gad Frankel, Konstantinos Beis
Acta Crystallographica Section F Structural Biology Communications, 80 Jan 2024 DOI: 10.1107/S2053230X23010579 Structural insights into the Smirnoff-Wheeler pathway for vitamin C production in the Amazon fruit Camu-Camu Jhon A. Vargas, Susana A Sculaccio, Andressa P. A. Pinto, Humberto D'Muniz Pereira, Luis F. S. Mendes, Jhoao F. Flores, Marianela Cobos, Juan C. Castro, Richard C. Garratt, Diego A. Leonardo
Journal Of Experimental Botany, Jan 2024 DOI: 10.1093/jxb/erae016 Far-reaching effects of tyrosine64 phosphorylation on Ras revealed with BeF3– complexes Patrick Baumann, Yi Jin
Communications Chemistry, 7 Jan 2024 DOI: 10.1038/s42004-024-01105-6 BTB domain mutations perturbing KCTD15 oligomerisation cause a distinctive frontonasal dysplasia syndrome Kerry A. Miller, David A. Cruz Walma, Daniel M. Pinkas, Rebecca S. Tooze, Joshua C. Bufton, William Richardson, Charlotte E. Manning, Alice E. Hunt, Julien Cros, Verity Hartill, Michael J Parker, Simon J. Mcgowan, Stephen R. F. Twigg, Rod Chalk, David Staunton, David Johnson, Andrew O M Wilkie, Alex N. Bullock
Journal Of Medical Genetics, 23 Jan 2024 DOI: 10.1136/jmg-2023-109531 Crystal structure and biochemical activity of the macrodomain from rubella virus p150 Guido A. Stoll, Nikos Nikolopoulos, Haoming Zhai, Liao Zhang, Christopher H. Douse, Yorgo Modis
Journal Of Virology, Jan 2024 DOI: 10.1128/jvi.01777-23 Journal Paper I03-Macromolecular Crystallography I04-Macromolecular Crystallography Discovery of KIN-3248, an irreversible, next generation FGFR inhibitor for the treatment of advanced tumors harboring FGFR2 and/or FGFR3 gene alterations John S. Tyhonas, Lee D. Arnold, Jason M. Cox, Aleksandra Franovic, Elisabeth Gardiner, Kathryn Grandinetti, Robert Kania, Toufike Kanouni, Matthew Lardy, Chun Li, Eric S. Martin, Nichol Miller, Adithi Mohan, Eric A. Murphy, Michelle Perez, Liliana Soroceanu, Noel Timple, Sean Uryu, Scott Womble, Stephen W. Kaldor
Journal Of Medicinal Chemistry, Jan 2024 DOI: 10.1021/acs.jmedchem.3c01819 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 Structural insights into Ruthenium complex-DNA triplex interactions Ahmad Abdullrahman
Jan 2024 Thesis B23-Circular Dichroism I03-Macromolecular Crystallography I23-Long wavelength MX VMXi-Versatile Macromolecular Crystallography in situ
Discovery of tetrahydropyrazolopyrazine derivatives as potent and selective MYT1 inhibitors for the treatment of cancer Yazhou Wang, Chao Wang, Tingting Liu, Hongyun Qi, Shan Chen, Xin Cai, Man Zhang, Alex Aliper, Feng Ren, Xiao Ding, Alex Zhavoronkov
Journal Of Medicinal Chemistry, 67 Jan 2024 DOI: 10.1021/acs.jmedchem.3c01476 
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