Metal fluorides - multi-functional tools for the study of phosphoryl transfer enzymes.

Pellegrini E, Juyoux P, Velsen Jv, Baxter NJ, Dannatt HRW, Yi J, Cliff MJ, Waltho JP, Bowler MW

bioRxiv, 2024

doi:10.1101/2024.03.25.586559.

The assembly of the Mitochondrial Complex I Assembly complex uncovers a redox pathway coordination.

McGregor L, Acajjaoui S, Desfosses A, Saïdi M, Bacia-Verloop M, Schwarz JJ, Juyoux P, von Velsen J, Bowler MW, McCarthy AA, Kandiah E, Gutsche I, Soler-Lopez M

Nature communications, 2023

doi:10.1038/s41467-023-43865-0.

Architecture of the MKK6-p38α complex defines the basis of MAPK specificity and activation.

Juyoux P, Galdadas I, Gobbo D, von Velsen J, Pelosse M, Tully M, Vadas O, Gervasio FL, Pellegrini E, Bowler MW

Science, 2023

doi:10.1126/science.add7859.

High-confidence placement of fragments into electron density using anomalous diffraction-A case study using hits targeting SARS-CoV-2 non-structural protein 1.

Ma S, Mykhaylyk V, Bowler MW, Pinotsis N, Kozielski F

International journal of molecular sciences, 2023

doi:10.3390/ijms241311197.

The T2 structure of polycrystalline cubic human insulin.

Triandafillidis DP, Karavassili F, Spiliopoulou M, Valmas A, Athanasiadou M, Nikolaras G, Fili S, Kontou P, Bowler MW, Chasapis CT, Von Dreele RB, Fitch AN, Margiolaki I

Acta crystallographica. Section D, Structural biology, 2023

doi:10.1107/s2059798323001328.

Identification, binding, and structural characterization of single domain anti-PD-L1 antibodies inhibitory of immune regulatory proteins PD-1 and CD80.

Kang-Pettinger T, Walker K, Brown R, Cowan R, Wright H, Baravalle R, Waters LC, Muskett FW, Bowler MW, Sawmynaden K, Coombs PJ, Carr MD, Hall G

The Journal of biological chemistry, 2022

doi:10.1016/j.jbc.2022.102769.

Two ligand-binding sites on SARS-CoV-2 non-structural protein 1 revealed by fragment-based X-ray screening.

Ma S, Damfo S, Lou J, Pinotsis N, Bowler MW, Haider S, Kozielski F

International journal of molecular sciences, 2022

doi:10.3390/ijms232012448.

Altiratinib blocks Toxoplasma gondii and Plasmodium falciparum development by selectively targeting a spliceosome kinase.

Swale C, Bellini V, Bowler MW, Flore N, Brenier-Pinchart MP, Cannella D, Belmudes L, Mas C, Couté Y, Laurent F, Scherf A, Bougdour A, Hakimi MA

Science translational medicine, 2022

doi:10.1126/scitranslmed.abn3231.

Structural insights into the substrate-bound condensation domains of non-ribosomal peptide synthetase AmbB.

Chu Yuan Kee MJ, Bharath SR, Wee S, Bowler MW, Gunaratne J, Pan S, Zhang L, Song H

Scientific reports, 2022

doi:10.1038/s41598-022-09188-8.

Finding order in chaos - nanocrystals in amorphous protein gels.

Bowler MW

Acta crystallographica. Section F, Structural biology communications, 2021

doi:10.1107/S2053230X21010852.

A plant-like mechanism coupling m6A reading to polyadenylation safeguards transcriptome integrity and developmental gene partitioning in Toxoplasma.

Farhat, D. C., Bowler, M. W., Communie, G., Pontier, D., Belmudes, L., Mas, C., Corrao, C., Couté, Y., Bougdour, A., Lagrange, T., Hakimi, M.-A. & Swale, C.

eLife, 2021

doi:10.7554/eLife.68312.

Cross-reactive SARS-CoV-2 neutralizing antibodies from deep mining of early patient responses.

Bullen G, Galson JD, Hall G, Villar P, Moreels L, Ledsgaard L, Mattiuzzo G, Bentley EM, Masters EW, Tang D, Millett S, Tongue D, Brown R, Diamantopoulos I, Parthiban K, Tebbutt C, Leah R, Chaitanya K, Ergueta-Carballo S, Pazeraitis D, Surade SB, Ashiru O, Crippa L, Cowan R, Bowler MW, Campbell JI, Lee WJ, Carr MD, Matthews D, Pfeffer P, Hufton SE, Sawmynaden K, Osbourn J, McCafferty J, Karatt-Vellatt A

Frontiers in immunology, 2021

doi:10.3389/fimmu.2021.678570.

Structural and functional comparison of fumarylacetoacetate domain containing protein 1 (FAHD1) in human and mouse.

Weiss AKH, Naschberger A, Cappuccio E, Metzger C, Mottes L, Holzknecht M, von Velsen J, Bowler MW, Rupp B, Jansen-Dürr P

Bioscience reports, 2020

doi:10.1042/BSR20194431.

Controlled dehydration, structural flexibility and gadolinium MRI contrast compound binding in the human plasma glycoprotein afamin.

Naschberger A, Juyoux P, von Velsen J, Rupp B, Bowler MW

Acta crystallographica. Section D, Structural biology, 2019

doi:10.1107/S2059798319013500.

A comparative anatomy of protein crystals: lessons from the automatic processing of 56 000 samples.

Svensson O, Gilski M, Nurizzo D, Bowler MW

IUCRJ, 2019

doi:10.1107/S2052252519008017.

Fully autonomous characterization and data collection from crystals of biological macromolecules.

Hutin S, Van Laer B, Mueller-Dieckmann C, Leonard G, Nurizzo D, Bowler MW

Journal of visualized experiments : JoVE, 2019

doi:10.3791/59032.

MXCuBE2: the dawn of MXCuBE Collaboration.

Oscarsson M, Beteva A, Flot D, Gordon E, Guijarro M, Leonard G, McSweeney S, Monaco S, Mueller-Dieckmann C, Nanao M, Nurizzo D, Popov AN, von Stetten D, Svensson O, Rey-Bakaikoa V, Chavas LMG, Chado I, Gourhant P, Gadea L, Legrand P, Isabet T, Sirigu S, Savko M, Thompson A, Shepard W, Nan J, Mueller U, Bolmsten F, Eguiraun M, Milàn-Otero A, Nardella A, Kastner A, Schmuckermaier L, Thunnissen M, Hellmig M, Weiss MS, Gerlach M, Feiler C, Bowler MW, Gobbo A, Papp G, Sinoir J, McCarthy AA, Karpics I, Nikolova M, Bourenkov G, Schneider T, Boer R, Juanhuix J, Cuní G, Andreu J, Paciorek W, Flensburg C, Keller P, Fogh R, de Sanctis D, Bricogne G, Vonrhein C

Journal of synchrotron radiation, 2019

doi:10.1107/S1600577519001267.

A molecular mechanism for transthyretin amyloidogenesis.

Yee AW, Aldeghi M, Blakeley MP, Ostermann A, Mas PJ, Moulin M, de Sanctis D, Bowler MW, Mueller-Dieckmann C, Mitchell EP, Haertlein M, de Groot BL, Boeri Erba E & Forsyth VT

Nature Communications, 2019

doi:10.1038/s41467-019-08609-z.

CrystalDirect-To-Beam: Opening the shortest path from crystal to data.

Felisaz F, Sinoir J, Papp G, Pica A, Bowler MW, Murphy P, Hoffmann G, Zander U, Lopez-Marrero M, Janocha R, Giraud T, Svensson O, Popov S, Leonard G, Mueller-Dieckmann C, Márquez JA, McCarthy A, Cipriani F

2019

doi:10.1063/1.5084627.

Structural basis for the bi-functionality of human oxaloacetate decarboxylase FAHD1.

Weiss AKH, Naschberger A, Loeffler JR, Gstach H, Bowler MW, Holzknecht M, Cappuccio E, Pittl A, Etemad S, Dunzendorfer-Matt T, Scheffzek K, Liedl KR, Jansen-Dürr P

The Biochemical journal, 2018

doi:10.1042/BCJ20180750.

Structural basis for Scc3-dependent cohesin recruitment to chromatin.

Li Y, Muir K, Bowler MW, Metz J, Haering CH, Panne D

eLife, 2018

doi:10.7554/eLife.38356.

Structural basis for reactivating the mutant TERT promoter by cooperative binding of p52 and ETS1.

Xu X, Li Y, Bharath SR, Ozturk MB, Bowler MW, Loo BZL, Tergaonkar V, Song H

Nature communications, 2018

doi:10.1038/s41467-018-05644-0.

van der Waals Contact between Nucleophile and Transferring Phosphorus Is Insufficient To Achieve Enzyme Transition-State Architecture

Johnson LA, Robertson AJ, Baxter NJ, Trevitt CR, Bisson C, Jin Y, Wood HP, Hounslow AM, Cliff MJ, Blackburn GM, Bowler MW, Waltho JP

ACS Catalysis, 2018

doi:10.1021/acscatal.8b01612.

A Novel Amyloid Designable Scaffold and Potential Inhibitor Inspired by GAIIG of Amyloid Beta and the HIV-1 V3 loop.

Kokotidou C, Jonnalagadda SVR, Orr AA, Seoane-Blanco M, Apostolidou CP, van Raaij MJ, Kotzabasaki M, Chatzoudis A, Jakubowski JM, Mossou E, Forsyth VT, Mitchell EP, Bowler MW, Llamas-Saiz AL, Tamamis P, Mitraki A

FEBS letters, 2018

doi:10.1002/1873-3468.13096.

Multi-position data collection and dynamic beam sizing: recent improvements to the automatic data-collection algorithms on MASSIF-1

Svensson S, Gilski M, Nurizzo D, Bowler MW

Acta Crystallographica. Section D, Structural Biology, 2018

doi:10.1107/S2059798318003728.

A new MR-SAD algorithm for the automatic building of protein models from low-resolution X-ray data and a poor starting model

Skubak P, Arac D, Bowler MW, Correia A, Hoelz A, Larsen S, Leonard G, McCarthy A, McSweeney S, Mueller-Dieckmann C, Otten H, Salzman G, Pannu N

IUCrJ, 2018

doi:10.1107/S2052252517017961.

Structural Evidence for a Role of the Multi-functional Human Glycoprotein Afamin in Wnt Transport.

Naschberger A, Orry A, Lechner S, Bowler MW, Nurizzo D, Novokmet M, Keller MA, Oemer G, Seppi D, Haslbeck M, Pansi K, Dieplinger H, Rupp B

Structure (London, England : 1993), 2017

doi:10.1016/j.str.2017.10.006.

Observing enzyme ternary transition state analogue complexes by 19F NMR spectroscopy

Ampaw A, Carroll M, von Velsen J, Bhattasali D, Cohen A, Bowler MW, Jakeman DL

Chemical Science; Chem. Sci., 2017

doi:10.1039/C7SC04204C.

FlexED8: the first member of a fast and flexible sample-changer family for macromolecular crystallography

Papp G, Felisaz F, Sorez C, Lopez-Marrero M, Janocha R, Manjasetty B,Gobbo A, Belrhali H , Bowler MW, Cirpriani F

Acta Crystallographica. Section D, Structural Biology, 2017

doi:10.1107/S2059798317013596.

Towards a compact and precise sample holder for macromolecular crystallography.

Papp G, Rossi C, Janocha R, Sorez C, Lopez-Marrero M, Astruc A, McCarthy A, Belrhali H, Bowler MW, Cipriani F

Acta crystallographica. Section D, Structural biology, 2017

doi:10.1107/S2059798317013742.

Assessing the Influence of Mutation on GTPase Transition States using X-ray, 19F NMR, and DFT Approaches.

Jin Y, Molt RW, Pellegrini E, Cliff MJ, Bowler MW, Richards NGJ, Blackburn GM, Waltho JP

Angewandte Chemie (International ed. in English), 2017

doi:10.1002/anie.201703074.

Computational Design of Amyloid Self-Assembling Peptides Bearing Aromatic Residues and the Cell Adhesive Motif Arg-Gly-Asp

Jonnalagadda, S.V.R., Ornithopoulou, E., Orr, A., Mossou, E., Forsyth, T., Mitchell, E.P., Bowler, M.W., Mitraki, A. and Tamamis, P.

Molecular systems design and engineering, 2017

doi:10.1039/C7ME00016B.

Raoult's law revisited: accurately predicting equilibrium relative humidity points for humidity control experiments.

Bowler MG, Bowler DR, Bowler MW

Journal of applied crystallography, 2017

doi:10.1107/S1600576717003636.

Structural Basis for the Subversion of MAP Kinase Signaling by an Intrinsically Disordered Parasite Secreted Agonist.

Pellegrini E, Palencia A, Braun L, Kapp U, Bougdour A, Belrhali H, Bowler MW, Hakimi MA

Structure , 2016

doi:10.1016/j.str.2016.10.011.

Self-assembled amyloid peptides with Arg-Gly-Asp (RGD) motifs as scaffolds for tissue engineering

Deidda G., Jonnalagadda SVR., Spies JW., Ranella A., Mossou E., Forsyth VT., Mitchell EP., Bowler MW., Tamamis P., Mitraki A.

ACS Biomaterials Science and Engineering, 2016

doi:10.1021/acsbiomaterials.6b00570.

Structural basis for blocking PD-1-mediated immune suppression by therapeutic antibody pembrolizumab.

Na Z, Yeo SP, Bharath SR, Bowler MW, Balıkçı E, Wang CI, Song H

Cell research, 2016

doi:10.1038/cr.2016.77.

Structural basis for specific recognition of pre-snRNA by Gemin5.

Tang X, Bharath SR, Piao S, Tan VQ, Bowler MW, Song H

Cell research, 2016

doi:10.1038/cr.2016.133.

RoboDiff: combining a sample changer and goniometer for highly automated macromolecular crystallography experiments.

Nurizzo D, Bowler MW, Caserotto H, Dobias F, Giraud T, Surr J, Guichard N, Papp G, Guijarro M, Mueller-Dieckmann C, Flot D, McSweeney S, Cipriani F, Theveneau P, Leonard GA

Acta crystallographica. Section D, Structural biology, 2016

doi:10.1107/s205979831601158x.

Structural basis of suppression of host translation termination by Moloney Murine Leukemia Virus.

Tang X, Zhu Y, Baker SL, Bowler MW, Chen BJ, Chen C, Hogg JR, Goff SP, Song H

Nature communications, 2016

doi:10.1038/ncomms12070.

Fully automatic macromolecular crystallography: the impact of MASSIF-1 on the optimum acquisition and quality of data

Bowler MW, Svensson O, Nurizzo D

Crystallography Reviews, 2016

doi:10.1080/0889311X.2016.1155050.

MASSIF-1: a beamline dedicated to the fully automatic characterization and data collection from crystals of biological macromolecules.

Bowler MW, Nurizzo D, Barrett R, Beteva A, Bodin M, Caserotto H, Delagenière S, Dobias F, Flot D, Giraud T, Guichard N, Guijarro M, Lentini M, Leonard GA, McSweeney S, Oskarsson M, Schmidt W, Snigirev A, von Stetten D, Surr J, Svensson O, Theveneau P, Mueller-Dieckmann C

Journal of synchrotron radiation, 2015

doi:10.1107/S1600577515016604.

Fully automatic characterization and data collection from crystals of biological macromolecules.

Svensson O, Malbet-Monaco S, Popov A, Nurizzo D, Bowler MW

Acta crystallographica. Section D, Biological crystallography, 2015

doi:10.1107/s1399004715011918.

Purification and characterization of DR_2577 (SlpA) a major S-layer protein from Deinococcus radiodurans.

Farci D, Bowler MW, Esposito F, McSweeney S, Tramontano E, Piano D

Frontiers in microbiology, 2015

doi:10.3389/fmicb.2015.00414.

The sweet quartet: Binding of fucose to the norovirus capsid.

Koromyslova AD, Leuthold MM, Bowler MW, Hansman GS

Virology, 2015

doi:10.1016/j.virol.2015.04.006.

Automation and Experience of Controlled Crystal Dehydration: Results from the European Synchrotron HC1 Collaboration

Bowler MW, Mueller U, Weiss MS, Sanchez-Weatherby J, Sorensen TLM, Thunnissen MMGM, Ursby T, Gobbo A, Russi S, Bowler MG, Brockhauser S, Svensson O, Cipriani F

CRYSTAL GROWTH & DESIGN, 2015

doi:10.1021/cg500890r.

ISPyB for BioSAXS, the gateway to user autonomy in solution scattering experiments.

De Maria Antolinos A, Pernot P, Brennich ME, Kieffer J, Bowler MW, Delageniere S, Ohlsson S, Malbet Monaco S, Ashton A, Franke D, Svergun D, McSweeney S, Gordon E, Round A

Acta crystallographica. Section D, Biological crystallography, 2015

doi:10.1107/s1399004714019609.

The status of the macromolecular crystallography beamlines at the European Synchrotron Radiation Facility

Mueller-Dieckmann C, Bowler MW, Carpentier P, Flot D, McCarthy AA, Nanao MH, Nurizzo D, Pernot P, Popov A, Round A, Royant A, de Sanctis D, von Stetten D, Leonard GA

EUROPEAN PHYSICAL JOURNAL PLUS, 2015

doi:10.1140/epjp/i2015-15070-0.

α-Fluorophosphonates reveal how a phosphomutase conserves transition state conformation over hexose recognition in its two-step reaction.

Jin Y, Bhattasali D, Pellegrini E, Forget SM, Baxter NJ, Cliff MJ, Bowler MW, Jakeman DL, Blackburn GM, Waltho JP

Proceedings of the National Academy of Sciences of the United States of America, 2014

doi:10.1073/pnas.1402850111.

New features of the cell wall of the radio-resistant bacterium Deinococcus radiodurans

Farci D, Bowler MW, Kirkpatrick J, McSweeney S, Tramontano E, Piano D

Biochimica et biophysica acta, 2014

doi:10.1016/j.bbamem.2014.02.014.

Lsm2 and Lsm3 bridge the interaction of the Lsm1-7 complex with Pat1 for decapping activation

Wu D, Muhlrad D, Bowler MW, Jiang S, Liu Z, Parker R, Song H

Cell research, 2013

doi:10.1038/cr.2013.152.

Measurement of the intrinsic variability within protein crystals: implications for sample-evaluation and data-collection strategies

Bowler MG, Bowler MW

Acta crystallographica. Section F, Structural biology communications, 2014

doi:10.1107/s2053230x13032007.

QsIA disrupts LasR dimerization in antiactivation of bacterial quorum sensing

Fan H, Dong Y, Wu D, Bowler MW, Zhang L, Song H

Proceedings of the National Academy of Sciences of the United States of America, 2013

doi:10.1073/pnas.1314415110.

Recent progress in robot-based systems for crystallography and their contribution to drug discovery

Ferrer JL, Larive NA, Bowler MW, Nurizzo D

Expert opinion on drug discovery, 2013

doi:10.1517/17460441.2013.793666.

Conformational dynamics in phosphoglycerate kinase, an open and shut case?

Bowler MW

FEBS letters, 2013

doi:10.1016/j.febslet.2013.05.012.

Automatic processing of macromolecular crystallography X-ray diffraction data at the ESRF

Monaco S, Gordon E, Bowler MW, Delagenière S, Guijarro M, Spruce D, Svensson O, McSweeney SM, McCarthy AA, Leonard G, Nanao MH

Journal of applied crystallography, 2013

doi:10.1107/s0021889813006195.

Le rayonnement synchrotron : comprendre la relation structure-fonction des macromolecules biologiques

Bowler MW, Nurizzo D

Reflets de la physique, 2013

doi:10.1051/refdp/201334048.

Charge-balanced metal fluoride complexes for protein kinase A with adenosine diphosphate and substrate peptide SP20

Jin Y, Cliff MJ, Baxter NJ, Dannatt HR, Hounslow AM, Bowler MW, Blackburn GM, Waltho JP

Angewandte Chemie (International ed. in English), 2012

doi:10.1002/anie.201204266.

Structural basis of the PNRC2-mediated link between mrna surveillance and decapping

Lai T, Cho H, Liu Z, Bowler MW, Piao S, Parker R, Kim YK, Song H

Structure (London, England : 1993), 2012

doi:10.1016/j.str.2012.09.009.

The Ighmbp2 helicase structure reveals the molecular basis for disease-causing mutations in DMSA1

Lim SC, Bowler MW, Lai TF, Song H

Nucleic acids research, 2012

doi:10.1093/nar/gks792.

Reflections on biocatalysis involving phosphorus

Blackburn GM, Bowler MW, Jin Y, Waltho JP

Biochemistry. Biokhimiia, 2012

doi:10.1134/s000629791210001x.

The use of workflows in the design and implementation of complex experiments in macromolecular crystallography

Brockhauser S, Svensson O, Bowler MW, Nanao M, Gordon E, Leal RM, Popov A, Gerring M, McCarthy AA, Gotz A

Acta crystallographica. Section D, Biological crystallography, 2012

doi:10.1107/s090744491201863x.

Near attack conformers dominate β-phosphoglucomutase complexes where geometry and charge distribution reflect those of substrate

Griffin JL, Bowler MW, Baxter NJ, Leigh KN, Dannatt HR, Hounslow AM, Blackburn GM, Webster CE, Cliff MJ, Waltho JP

Proceedings of the National Academy of Sciences of the United States of America, 2012

doi:10.1073/pnas.1116855109.

Measurement of the equilibrium relative humidity for common precipitant concentrations: facilitating controlled dehydration experiments

Wheeler MJ, Russi S, Bowler MG, Bowler MW

Acta crystallographica. Section F, Structural biology and crystallization communications, 2012

doi:10.1107/s1744309111054029.

Crystal structures of Lsm3, Lsm4 and Lsm5/6/7 from Schizosaccharomyces pombe

Wu D, Jiang S, Bowler MW, Song H

PloS one, 2012

doi:10.1371/journal.pone.0036768.

Direct cryocooling of naked crystals: are cryoprotection agents always necessary?

Pellegrini E, Piano D, Bowler MW

Acta crystallographica. Section D, Biological crystallography, 2011

doi:10.1107/s0907444911031210.

Inducing phase changes in crystals of macromolecules: status and perspectives for controlled crystal dehydration.

Russi S, Juers DH, Sanchez-Weatherby J, Pellegrini E, Mossou E, Forsyth VT, Huet J, Gobbo A, Felisaz F, Moya R, McSweeney SM, Cusack S, Cipriani F, Bowler MW

Journal of structural biology, 2011

doi:10.1016/j.jsb.2011.03.002.

Interaction of human 3-phosphoglycerate kinase with its two substrates: is substrate antagonism a kinetic advantage?

Lallemand P, Chaloin L, Roy B, Barman T, Bowler MW, Lionne C

Journal of molecular biology, 2011

doi:10.1016/j.jmb.2011.04.048.

A spring-loaded release mechanism regulates domain movement and catalysis in phosphoglycerate kinase

Zerrad L, Merli A, Schröder GF, Varga A, Gráczer É, Pernot P, Round A, Vas M, Bowler MW

The Journal of biological chemistry, 2011

doi:10.1074/jbc.m110.206813.

MxCuBE: a synchrotron beamline control environment customized for macromolecular crystallography experiments

Gabadinho J, Beteva A, Guijarro M, Rey-Bakaikoa V, Spruce D, Bowler MW, Brockhauser S, Flot D, Gordon EJ, Hall DR, Lavault B, McCarthy AA, McCarthy J, Mitchell E, Monaco S, Mueller-Dieckmann C, Nurizzo D, Ravelli RB, Thibault X, Walsh MA, Leonard GA, McSweeney SM

Journal of synchrotron radiation, 2010

doi:10.1107/s0909049510020005.