Molecular Biophysics
Publications
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2020
Prevotella intermedia produces two proteins homologous to Porphyromonas gingivalis HmuY but with different heme coordination mode
Marcin Bielecki, Svetlana Antonyuk, Richard W. Strange, Klaudia Siemińska, John W. Smalley, Paweł Mackiewicz, Michał Śmiga, Megan Cowan, Michael J. Capper, Paulina Ślęzak, Mariusz Olczak and Teresa Olcza
Biochemical Journal (2020) 477 381-405
https://doi.org/10.1042/BCJ20190607
2019
The biophysics of superoxide dismutase-1 and amyotrophic lateral sclerosis
Gareth S. A. Wright, Svetlana V. Antonyuk and S. Samar Hasnain
Quarterly Reviews of Biophysics 52, e12, 1-39, 29 October 2019.
https://doi.org/10.1017/S003358351900012X
Dimeric structures of quinol-dependant nitric oxide reductase (qNOR) revealed by cryo-Electron microscopy
GC Gopalasingam, R Johnson, GN Chiduza, T Tosha, M Yamamoto, Y Shiro, SV Antonyuk, S Muench, SS Hasnain
Science Advances, July 2019
doi:10.1126/sciadv.aax1803
Crystal Structure of the Japanese Encephalitis Virus Capsid Protein
Poonsiri, T., Wright, G. S. A., Solomon, T., & Antonyuk, S. V. (2019).
VIRUSES-BASEL, 11(7)
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6669762/
doi: 10.3390/v11070623
Catalytically important damage-free structures of a copper nitrite reductase obtained by femtosecond X-ray laser and room-temperature neutron crystallography
Thomas P. Halsted, Keitaro Yamashita, Chai C. Gopalasingam, Rajesh T. Shenoy, Kunio Hirata, Hideo Ago, Go Ueno, Matthew P. Blakeley, Robert R. Eady, Svetlana V. Antonyuk, Masaki Yamamoto and S. Samar Hasnain (2019). IUCRJ, 6, 761-772.
doi:10.1107/S2052252519008285
LAT1 (SLC7A5) and CD98hc (SLC3A2) complex dynamics revealed by single-particle cryo-EM
George N Chiduza, Rachel M Johnson, Gareth SA Wright, Svetlana V Antonyuk, Stephen P Muench, S Samar Hasnain
Acta Crystallographica Section D: Structural Biology, July 2019
http://scripts.iucr.org.liverpool.idm.oclc.org/cgi-bin/paper?S2059798319009094
doi:10.1107/S2059798319009094
Synchrotron science in the UK: NINA, the SRS and Diamond
Hasnain, S. S., & Catlow, C. R. A. (2019).
PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES, 377(2147).
doi:10.1098/rsta.2019.0147
Unexpected Roles of a Tether, Harboring a Tyrosine Gatekeeper Residue in Modular Nitrite Reductase Catalysis
Tobias M. Hedison, Rajesh T. Shenoy, Andreea I. Iorgu, Derren J. Heyes, Karl Fisher, Gareth S. A. Wright, Sam Hay, Robert R. Eady, Svetlana V. Antonyuk, S. Samar Hasnain and Nigel S. Scrutton
ACS Catal.2019, 9, XXX, 6087-6099
Publication Date: May 29, 2019
https://doi.org/10.1021/acscatal.9b01266
Talaromyces marneffei Mp1 protein, a novel virulence factor, carries two arachidonic acid-binding domains to suppress inflammatory responses in hosts. (Journal article)
Wai-Hei Lam, Kong-Hung Sze, Yihong Ke, Man-Kit Tse, Hongmin Zhang, Patrick C. Y. Woo, Susanna K. P. Lau, Candy C. Y. Lau, Simin Xu, Pok-Man Lai, Ting Zhou, Svetlana V. Antonyuk, Richard Y. T. Kao, Kwok-Yung Yuen, Quan Hao (2019).
INFECTION AND IMMUNITY, 87(4). doi:10.1128/IAI.00679-18
The expanding toolkit for structural biology: synchrotrons, X-ray lasers and cryoEM
Stephen P. Muench, Svetlana V. Antonyuk and S. Samar Hasnain
IUCrJ Volume 6, Part 2, March 2019, Pages 167-177
doi.org/10.1107/S2052252519002422
Control and regulation of S-Adenosylmethionine biosynthesis by the regulatory β subunit and quinolone-based compounds.
Panmanee J, Bradley-Clarke J, Mato JM, O'Neill PM, Antonyuk SV, Hasnain SS, The FEBS Journal, 18 February 2019
doi: 10.1111/febs.14790
Molecular recognition and maturation of SOD1 by its evolutionarily destabilised cognate chaperone hCCS
Fernanda A. Sala, Gareth S. A. Wright, Svetlana V. Antonyuk, Richard C. Garratt, S. Samar Hasnain
PLOS Biology, 8 February 2019
doi.org/10.1371/journal.pbio.3000141
2018
Potent Antimalarial 2-Pyrazolyl Quinolone bc(1) (Q(i)) Inhibitors with Improved Drug-like Properties David Hong W, Leung SC, Amporndanai K, Davies J, Priestley RS, Nixon GL, Berry NG, Samar Hasnain S, Antonyuk S, Ward SA, Biagini GA, O'Neill PM (2018).
ACS MEDICINAL CHEMISTRY LETTERS, 9(12), 1205-1210.
doi:10.1021/acsmedchemlett.8b00371
Cellular uptake of the atypical antipsychotic clozapine is a carrier-mediated process
David Dickens, Steffen Rädisch, George N Chiduza, Athina Giannoudis, Michael J Cross, Hassan Malik, Elke Schaeffeler, Rowena L Sison-Young, Emma L Wilkinson, Christopher E Goldring, Matthias Schwab, Munir Pirmohamed, Anne T Nies
Molecular pharmaceutics, 26 June 2018
Identification of a tyrosine switch in copper-haem nitrite reductases
Dong, J., Sasaki, D., Eady, R. R., Antonyuk, S. V., & Hasnain, S. S. (n.d.), IUCrJ, 5(4), 510-518; doi:10.1107/S2052252518008242
Structural and functional insights into the unique CBS–CP12 fusion protein family in cyanobacteria
Hackenberg, C., Hakanpää, J., Cai, F., Antonyuk, S., Eigner, C., Meissner, S., Lamzin, V. S. (n.d.), Proceedings of the National Academy of Sciences, 201806668; doi:10.1073/pnas.1806668115
The cysteine-reactive small molecule ebselen facilitates effective SOD1 maturation
Capper, M. J., Wright, G. S. A., Barbieri, L., Luchinat, E., Mercatelli, E., McAlary, L., Hasnain, S. S. (2018), NATURE COMMUNICATIONS, 9; doi:10.1038/s41467-018-04114-x
Structural Study of the C-Terminal Domain of Nonstructural Protein 1 from Japanese Encephalitis Virus
Poonsiri, T., Wright, G. S. A., Diamond, M. S., Turtle, L., Solomon, T., & Antonyuk, S. V. (2018), JOURNAL OF VIROLOGY, 92(7); doi:10.1128/JVI.01868-17
Architecture of the complete oxygen-sensing FixL-FixJ two-component signal transduction system
Wright, G. S. A., Saeki, A., Hikima, T., Nishizono, Y., Hisano, T., Kamaya, M., Sawai, H. (2018), SCIENCE SIGNALING, 11(525); doi:10.1126/scisignal.aaq0825
Enzyme catalysis captured using multiple structures from one crystal at varying temperatures
Horrell, S., Kekilli, D., Sen, K., Owen, R. U., Dworkowski, F. S. N., Antonyuk, S. V., Hough, M. A. (2018), IUCRJ, 5, 283-292; doi:10.1107/S205225251800386X
Characterization of the quinol-dependent nitric oxide reductase from the pathogen Neisseria meningitidis, an electrogenic enzyme
Gonska, N., Young, D., Yuki, R., Okamoto, T., Hisano, T., Antonyuk, S., Adelroth, P. (2018), SCIENTIFIC REPORTS, 8; doi:10.1038/s41598-018-21804-0
X-ray and cryo-EM structures of inhibitor-bound cytochrome bc(1) complexes for structure-based drug discovery
Amporndanai, K., Johnson, R. M., O'Neill, P. M., Fishwick, C. W. G., Jamson, A. H., Rawson, S., Antonyuk, S. V. (2018), IUCRJ, 5, 200-210; doi:10.1107/S2052252518001616
An unprecedented dioxygen species revealed by serial femtosecond rotation crystallography in copper nitrite reductase.
Halsted, T. P., Yamashita, K., Hirata, K., Ago, H., Ueno, G., Tosha, T., Hasnain, S. S. (2018), IUCRJ, 5, 22-31; doi:10.1107/S2052252517016128
2017
Biophysical and functional characterization of hippocalcin mutants responsible for human dystonia
Helassa, N., Antonyuk, S. V., Lian, L. -Y., Haynes, L. P., & Burgoyne, R. D. (2017), HUMAN MOLECULAR GENETICS, 26(13), 2426-2435; doi:10.1093/hmg/ddx133
Modulation of LAT1 (SLC7A5) transporter activity and stability by membrane cholesterol
David Dickens, George N. Chiduza, Gareth S. A. Wright, Munir Pirmohamed, Svetlana V. Antonyuk
& S. Samar Hasnain, Sci. Rep. 7, 43580; doi: 10.1038/srep43580 (2017).
2016
New paradigms for understanding and step changes in treating active and chronic, persistent apicomplexan infections
Martin McPhillie, Ying Zhou, Kamal El Bissati, Jitender Dubey, Hernan Lorenzi, Michael Capper, Amanda K Lukens, Mark Hickman, Stephen Muench, Shiv Kumar Verma, Christopher R. Weber, Kelsey Wheeler, James Gordon, Justin Sanders, Hong Moulton, Kai Wang, Taek-Kyun Kim, Yuqing He, Tatiana Santos, Stuart Woods, Patty Lee, David Donkin, Eric Kim, Laura Fraczek, Joseph Lykins, Farida Esaa, Fatima Alibana-Clouser, Sarah Dovgin, Louis Weiss, Gael Brasseur, Dyann Wirth, Michael Kent, Leroy Hood, Brigitte Meunieur, Craig W. Roberts, S. Samar Hasnain, Svetlana V. Antonyuk, Colin Fishwick and Rima McLeod
Nature Scientific Reports 6, Article number: 29179 (2016)
Serial crystallography captures enzyme catalysis in copper nitrite reductase at atomic resolution from one crystal
Horrel, S., Antonyuk, S, V., Eady, R. R., Hasnain, S. S., Hough, M. A., and Strange, R. W., IUCrJ. 3, 271-281
A faulty interaction between SOD1 and hCCS in neurodegenerative disease
Wright, G. S. A., Antonyuk, S. V., & Hasnain, S. S. (2016) Scientific Reports, 6, article number: 27691.
Crystallography captures catalytic steps in human methionine adenosyltransferase enzymes
Ben Murray, Svetlana V. Antonyuk, Alberto Marin, Shelly C. Lu, Jose M. Mato, S. Samar Hasnain, and Adriana L. Rojas,
Proceedings of the National Academy of Sciences 2016 113: 2104-2109
Fresh insight to functioning of selected enzymes of the nitrogen cycle
Eady, R. R., Antonyuk, S. V., & Hasnain, S. S. (2016), Current Opinion in Chemical Biology, 31, 103-112.
2015
Three-domain heme-c-Cu nitrite reductases
Svetlana V Antonyuk, Robert R Eady, and S Samar Hasnain, Encyclopedia of Inorganic and Bioinorganic Chemistry, published by John Wiley & Sons, Ltd.
Antimalarial 4(1H)-pyridones bind to the Qi site of cytochrome bc1Capper M.J. et al., (2015) Proceedings of the National Academy of Sciences, doi: 10.1073/pnas.1416611112
2014
Structure and function study of the complex that synthesizes S-adenosylmethionine
Murray B. et al., (2014) IUCrJ 1, 240-249.
Impact of residues remote from the catalytic centre on enzyme catalysis of copper nitrite reductase
Leferink N.G. et al., (2014) Nature Communications 5, 4395.
Macromolecular structures probed by combining single-shot free-electron laser diffraction with synchrotron coherent X-ray imaging
Gallagher-Jones M. et al., Nature Communications 5, 3798 [DOI: 10.1038/ ncomms4798]
Fingerprinting redox and ligand states in haemprotein crystal structures using resonance Raman spectroscopy
Kekilli D. et al., (2014) Acta Cryst D. 70, 1289-1296.
Disease causing mutants of TDP-43 nucleic acid binding domains are resistant to aggregation and have increased stability and half-life
Austin, J.A. et al., (2014) Proceedings of the National Academy of Sciences, doi: 10.1073/pnas.1317317111.
The structure of a purple acid phosphatase involved in plant growth and pathogen defence exhibits a novel immunoglobulin-like fold
Antonyuk, S.V. et al., (2014) IUCrJ 1, 101-109.
2013
Transport of gabapentin by LAT1 (SLC75)
Dickens, D. et al., (2013) Biochemical Pharmacology 85, 1672-1683.
Ligand binding and aggregation of pathogenic SOD1
Wright G.S. et al., (2013) Nature Communications 4, 1758 [DOI: 10.1038/ncomms2750].
Structures of protein–protein complexes involved in electron transfer
Antonyuk, S.V. et al., (2013) Nature 496, 123-126.
X-ray Crystallography and Computational Docking for the Detection and Development of Protein-Ligand Interactions
Kershaw, N et al., (2013) Current Medicinal Chemistry 20, 569-575.
The application of hybrid pixel detectors for in-house SAXS instrumentation with a view to combined chromatographic operation
Wright G et al., (2013) Journal Synchrotron Radiation 20, 283-285.
2012
Structural evidence for a copper-bound carbonate intermediate in the Peroxidase and Dismutase Activities of Superoxide Dismutase
Strange, R.W. et al., (2012) PLOS ONE, 7(9): e44811. doi:10.1371/journal.pone.0044811.
Characterization of a novel copper heme c dissimilatory nitrite reductase from Ralstonia pickettii
Han, C. et al., (2012) Biochemical Journal, 444(2), 19-26.
Laser flash photolysis indicates that internal electron transfer is triggered by proton uptake in Alcaligenes xylosoxidans copper-dependent nitrite reductase
Leferink, N.G. et al., (2012) FEBS Journal, 279, 2174-2181.
Gating mechanisms for biological electron transfer: Integrating structure with biophysics reveals the nature of redox control in cytochrome P450 reductase and copper-dependent nitrite reductase
Leferink, N.G. et al., (2012) FEBS Letters, 586, 578-584.
A Distal Pocket Leu Residue Inhibits the Binding of O2 and NO at the Distal Heme Site of Cytochrome c'
Garten, E.M. et al., (2012) Journal of the American Chemical Society, 134, 1461-1463.
Challenges of sulfur SAD phasing as a routine method in macromolecular crystallography
Doutch, J. et al., (2012) Journal of Synchrotron Radiation 19, 19-29.
2011
Carbon monoxide poisoning is prevented by the energy costs of conformational changes in gas-binding haemproteins
Antonyuk, S.V. et al., (2011) Proceedings of the National Academy of Sciences 108, 15780-15785.
Nitrous Oxide Reductase
Eady R.R. et al., (2011) Handbook of Metalloproteins, Vol. 5 (ed. Messerschmidt, A.) 600-614.
Proton coupled electron transfer in the catalytic cycle of Alcaligenes xylosoxidans copper-dependent nitrite reductase
Leferink, N.G et al., (2011) Biochemistry 50, 4121-4131.
The Structural Plasticity of the Human Copper Chaperone for SOD1 - Insights from Combined Size Exclusion Chromatographic and Solution X-Ray Scattering Studies
Wright G et al., (2011) Biochem. J. 439, 39-44.
Monitoring and validating active site redox states in proteins
Antonyuk S.V. et al., (2011) Biochim. Biophys. Acta 1814, 778-784.
Distal-to-Proximal Conversion in Hemeproteins: the Role of the Proximal Pocket
Hough M.A. et al., (2011) Journal of Molecular Biology 405, 395-409
2010
Structural studies of tri-functional human GART
Welin et al., (2010) Nucleic Acids Research 38, 7308-7319
Characterization of cycP Gene Expression in Achromobacter xylosoxidans NCIMB 11015 and High-Level Heterologous Synthesis of Cytochrome c-prime in Escherichia coli
Harris, R.L. et al., (2010) Journal of Molecular Microbiology and Biotechnology 18, 102-108
Shape and Flexibility in the Titin 11-Domain Super-Repeat
Tskhorebova, L.. et al., (2010) Journal of Molecular Biology 397, 1092-1105
Structural Discovery of Small Molecule Binding Sites in Cu-Zn Human Superoxide Dismutase Familial Amyotrophic Lateral Sclerosis Mutants Provides Insights for Lead Optimization
Antonyuk, S.V. et al., (2010) Journal of Medicinal Chemistry 53, 1402-1406
2009
Structural and biophysical properties of metal-free pathogenic SOD1 mutants A4V and G93A
Galaleldeen, A. et al., (2009) Archives Biochemistry and Biophysics 492, 40-47
Structure of putative 4-amino-4-deoxychorismate lyase from Thermus thermophilus HB8
Padmanahban, B. et al., (2009) Acta F65, 1234-1239
Structure of glyceraldehyde-3-phosphate dehydrogenase from the archaeal hyperthermophile Methanocaldococcus jannaschii
Malay, A.D. et al., (2009) Acta Cryst. F65, 1227-1233
Structure of dihydrodipicolinate synthase from Methanocaldococcus jannaschii
Padmanahban, B. et al., (2009) Acta F65, 1222-1226
Structure of a putative [beta]-phosphoglucomutase (TM1254) from Thermotoga maritima
Strange, R.W. et al., (2009) Acta Cryst. F65, 1218-1221
The structure of an archaeal ribose-5-phosphate isomerase from Methanocaldococcus jannaschii (MJ1603)
Strange, R.W. et al., (2009) Acta Cryst. F65, 1214-1217
Structure of D-lactate dehydrogenase from Aquifex aeolicus complexed with NAD+ and lactic acid (or pyruvate)
Antonyuk, S.V. et al., (2009) Acta Cryst. F65, 1209-1213
Structure of SurE protein from Aquifex aeolicus VF5 at 1.5 Å resolution
Antonyuk, S.V. et al., (2009) Acta Cryst. F65, 1204-1208
Structure of hypothetical Mo-cofactor biosynthesis protein B (ST2315) from Sulfolobus tokodaii
Antonyuk, S.V. et al., (2009) Acta Cryst. F65, 1200-1203
Assessment of long-term molecular dynamics calculations with experimental information on protein shape from X-ray scattering – SOD1 as a case study
Yong, C. et al., (2009) Chemical Physics Letters 481, 112-117
A Tetranuclear Cu(I) Cluster in the Metallochaperone Protein CopZ
Hearnshaw, S. et al., (2009) Biochemistry 48, 9234-9236
Demonstration of proton-coupled electron transfer in the copper-containing nitrite reductases
Brenner, S. et al., (2009) Journal of Biological Chemistry 284, 25973-25983
The structure of human extracellular copper-zinc superoxide dismutase at 1.7A resolution: insights into heparin and collagen binding
Antonyuk, S. V. et al., (2009) Journal of Molecular Biology 388, 310-326.
The structure of the C-terminal actin-binding domain of talin
Gingras, A. R. et al., (2009) Journal of Biological Chemistry 284, 8857-8867.
Digital Ion Trap Mass Spectrometer for Probing the Structure of Biological Macromolecules by Gas Phase X-ray Scattering
McCullough, B. J. et al., (2009) Analytical Chemistry 81, 3392-3397.
Biological x-ray absorption spectroscopy and metalloproteomics
Ascone, I. et al., (2009) Journal of Synchrotron Radiation 16, 413-421.
Crystal structure of human prion protein bound to a therapeutic antibody
Antonyuk, S. V. et al., (2009) Proceedings of the National Academy of Sciences 106, 2554-2558.
2008
Identification of the Proton Channel to the Active Site Type 2 Cu Center of Nitrite Reductase: Structural and Enzymatic Properties of the His254Phe and Asn90Ser Mutants
Hough, M. A. et al., (2008) Biochemistry 47, 13547–13553.
Biological x-ray absorption spectroscopy (BioXAS): a valuable tool for the study of trace elements in the life sciences
Strange, R.W. et al., (2008) Current Opinion in Structural Biology 18, 609-616.
On-line optical and X-ray spectroscopies with crystallography: an integrated approach for determining metalloprotein structures in functionally well defined states
Ellis M. J. et al., (2008) Journal of Synchrotron Radiation 15(5), 433-439.
Structures of the G85R variant of SOD1 in familial amyotrophic lateral sclerosis
Cao, X. et al., (2008) Journal of Biological Chemistry 283 (23), 16169-16177
Modulation of NO binding to cytochrome c' by distal and proximal haem pocket residues
Barbieri S. et al., (2008) Journal of Biological Inorganic Chemistry 13 (4), 531-540
Complementing structural information of modular proteins with small angle neutron scattering and contrast variation
Grossmann J.G. et al., (2008) European Biophysical Journal 37 (5), 603-611
Crystallography with on-line optical and X-ray absorption spectroscopy demonstrates an ordered mechanism in Cu-nitrite reductase
Hough M.A. et al., (2008) Journal of Molecular Biology 378, 353-361
The structure of the C-terminal actin-binding domain of talin
Gingras, A.R. et al., (2008) EMBO Journal 27, 458-469
Identification of Quaternary Structure and Functional Domains of the CI Repressor from Bacteriophage TP901-1
Pedersen, M. et al., (2008) Journal of Molecular Biology 376, 983-996
2007
Insights into the Structure and Domain Flexibility of Full-Length Pro-Matrix Metalloproteinase-9/Gelatinase B
Rosenblum, G. et al., (2007) Structure 15, 1227-1236
Genomic analysis reveals wide-spread occurrence of new classes of copper nitrite reductases
Ellis, M.J. et al., (2007) Journal of Biological Inorganic Chemistry 12, 1119-1127
Molecular dynamics using atomic-resolution structure reveal structural fluctuations that may lead to polymerization of human Cu-Zn superoxide dismutase
Strange, R.W. et al (2007) Proceedings of the National Academy of Sciences 104, 10040-10044.
The structure of the Met144Leu mutant of copper nitrite reductase from Alcaligenes xylosoxidans provides the first glimpse of a protein–protein complex with azurin II
Paraskevopoulos, K. et al. (2007) Journal of Biological Inorganic Chemistry 12, 789-796
X-ray structure analysis of a metalloprotein with enhanced active-site resolution using in situ x-ray absorption near edge structure spectroscopy
Arcovito, A. et al., (2007) Proceedings of the National Academy of Sciences 104, 6211-6216.
NMR analysis of the conformational properties of the trapped on-pathway folding intermediate of the bacterial immunity protein Im7
Whittaker, S. et al., (2007) Journal of Molecular Biology 366, 1001-1015.
Modular structure of the full length DNA gyrase B subunit revealed by small angle x-ray scattering
Costenaro, L. et al., (2007) Structure 15, 329-339.
2006
Structural basis for protein–protein interactions in the 14-3-3 protein family
Yang, X. et al., (2006) Proceedings of the National Academy of Sciences 103, 17237-17242.
Insight into Catalysis of Nitrous Oxide Reductase from High-resolution Structures of Resting and Inhibitor-bound Enzyme from Achromobacter cycloclastes
Paraskevopoulos, K. et al., (2006) Journal of Molecular Biology 362, 55-65.
Active site structures and the redox properties of blue copper proteins: atomic resolution structure of azurin II and electronic structure calculations of azurin, plastocyanin and stellacyanin
Paraskevopoulos, K. et al., (2006) Dalton Transactions 25, 3067-3076.
AAtomic Resolution Crystal Structures, EXAFS, and Quantum Chemical Studies of Rusticyanin and Its Two Mutants Provide Insight into Its Unusual Properties
Barrett, M.L. et al., (2006) Biochemistry 45, 2927-2939
Coordinate synthesis of azurin I and copper nitrite reductase in Alcaligenes xylosoxidans during denitrification
Harris, R.L. et al., (2006) Archives of Microbiology 186, (3), 241-249
Variable Metallation of Human Superoxide Dismutase: Atomic Resolution Crystal Structures of Cu–Zn, Zn–Zn and As-isolated Wild-type Enzymes
Strange, R.W. et al., (2006) Journal of Molecular Biology 356, 1152-1162
Agrobacterium tumefaciens VirB8 structure reveals potential protein-protein interaction sites
Bailey, S. et al., (2006) Proceedings of the National Academy of Sciences 103, 2582-2587.
2005
Atomic resolution structures of resting-state, substrate- and product-complexed Cu-nitrite reductase provide insight into catalytic mechanism
Antonyuk, S. et al., (2005) Proceedings of the National Academy of Sciences 102, 12041-12046
A high-throughput structural biology/proteomics beamline at the SRS on a new multipole wiggler
Cianci, M. et al., (2005) Journal of Synchrotron Radiation 12, 455-466
High Resolution Structural Studies of Mutants Provide Insights into Catalysis and Electron Transfer Processes in Copper Nitrite Reductase
Hough, M.A. et al., (2005) Journal of Molecular Biology 350, 300-309
Combined use of XAFS and crystallography for studying protein-ligand interactions in metalloproteins
Strange, R.W. et al., (2005) Methods in Molecular Biology 305, 167-196
Structural consequences of the familial amyotrophic lateral sclerosis SOD1 mutant His46Arg
Antonyuk, S. et al., (2005) Protein Science 14, 1201-1213
Atomic Resolution Crystallography and XAFS
Strange, R.W. et al., (2005) Coordination Chemistry Reviews 249, 197-208
Small angle x-ray scattering reveals the solution structure of full length DNA gyrase A subunit
Costenaro, L. et al., (2005) Structure 13, 287-296
Heterologous metalloprotein biosynthesis in Escherichia coli: conditions for the overproduction of functional copper-containing nitrite reductase and azurin from Alcaligenes xylosoxidans
Harris, R.L. et al., (2005) Journal of Synchrotron Radiation 12, 13-18
Towards the High-Throughput Expression of Metalloproteins from the Mycobacterium tuberculosis genome
Hall, J.F. et al., (2005) Journal of Synchrotron Radiation 12, 4-7
Metallogenomics and biological X-ray absorption spectroscopy
Ascone, I. et al., (2005) Journal of Synchrotron Radiation 12, 1-3
2004
Insights into Redox Partner Interactions and Substrate Binding in Nitrite Reductase from Alcaligenes xylosoxidans: Crystal Structures of the Trp138His and His313Gln Mutants
Barrett, M.L. et al., (2004) Biochemistry 43, (51), 16311-16319
Observation of an Unprecedented Cu Bis-His Site: Crystal Structure of the H129V Mutant of Nitrite Reductase
Ellis, M.J. et al., (2004) Inorganic Chemistry 43, (24), 7591-7593
Dimer destabilization in superoxide dismutase may result in disease-causing properties: Structures of motor neuron disease mutants
Hough, M.A. et al., (2004) Proceedings of the National Academy of Science 101, (16), 5976-5981
Synchrotron techniques for metalloproteins and human disease in post genome era
Hasnain, S.S. (2004) Journal of Synchrotron Radiation 11, (1), 7-11
2003
Structure of fully reduced bovine copper zinc superoxide dismutase at 1.15 A
Hough MA and Hasnain SS (2003) Structure 11, (8), 937-946
Amyloid-like filaments and water-filled nanotubes formed by SOD1 mutant proteins linked to familial ALS
Elam JS, et al., (2003) Nature Structural Biology 10, (6), 461-467
The Structure of Holo and Metal-deficient Wild-type Human Cu, Zn Superoxide Dismutase and its Relevance to Familial Amyotrophic Lateral Sclerosis
Strange RW, et al., (2003) Journal of Molecular Biology 328, (4), 877-891
Atomic Resolution Structures of Native Copper Nitrite Reductase from Alcaligenes xylosoxidans and the Active Site Mutant Asp92Glu
Ellis MJ, et al., (2003) Journal of Molecular Biology 328, (2), 429-438
The structure of glyceraldehyde 3-phosphate dehydrogenase from Alcaligenes xylosoxidans at 1.7A resolution
Antonyuk SV, et al., (2003) Acta Crystallographica D59,835-842
XAFS studies of nitrogenase: the MoFe and VFe proteins and the use of crystallographic coordinates in three-dimensional EXAFS data analysis
Strange RW, et al., (2003) Journal of Synchrotron Radiation 10, ( 1), 71-75
Marriage of XAFS and crystallography for structure-function studies of metalloproteins
Hasnain SS, et al., (2003) Journal of Synchrotron Radiation 10, ( 1), 9-15
Dentrification
Eady, RR & Hasnain, SS (2003) in Bio-coordination Chemistry: Comprehensive Coordination Chemistry II, 8, 759-786; (Que, L. & Tolman, W. B., Eds.) Elsevier, Oxford.
2002
Metal-Ligand Interplay in Blue Copper Proteins Studied by (1)H NMR Spectroscopy: Cu(II)-Pseudoazurin and Cu(II)-Rusticyanin.
Donaire A, et al., (2002) Journal of American Chemical Society 124, (46), 13698-13708
Crystal Structure of the Met148Leu and Ser86Asp Mutant of Rusticyanin from Thiobacillus ferrooxidans: Insights into the Structural Relationship with the Cupredoxins and the Multi Copper Proteins
Kanbi LD, et al., (2002) Journal of Molecular Biology 320, (2), 263-275
The N-terminal extension of rusticyanin is not responsible for its acid stability
Grossmann JG, et al., (2002) Biochemistry 41, (11), 3613-3619
Resolution improvement from 'in-situ annealing' of copper nitrite reductase crystals
Ellis MJ, et al., (2002) Acta Crystallographica D58, 456-458
Biochemical and Crystallographic Studies of the Met144Ala, Asp92Asn and His254Phe Mutants of the Nitrite Reductase from Alcaligenes xylosoxidans Provide Insight into the Enzyme Mechanism.
Ellis MJ, et al., (2002) Journal of Molecular Biology 316, (1), 51-64
Electron Donation Between Copper Containing Nitrite Reductases and Cupredoxins: the Nature of Protein-protein Interaction in Complex Formation.
Murphy LM, et al., (2002) Journal of Molecular Biology 315, (4), 859-871
Shape Determination of Biomolecules in Solution from Synchrotron X-ray Scattering
Grossmann, J.G. (2002) in Scattering, Volume 2, 1123-1139 (R. Pike & P. Sabatier Eds) Academic Press.
2001
New Synchrotron Radiation Sources and the next-generation Light Sources.
Hasnain SS, et al., (2001) Journal of Synchrotron Radiation 8, 1171-1171
Xafs study of the high-affinity copper-binding site of human prp(91-231) and its low-resolution structure in solution.
Hasnain SS, et al., (2001) Journal of Molecular Biology 311, (3), 467-473
X-ray structure of a blue copper nitrite reductase at high pH and in copper-free form at 1.9 A resolution.
Ellis MJ, et al., (2001) Acta Crystallographica D57, (8), 1110-1118
Structure of the M148Q mutant of rusticyanin at 1.5Å: a model for the copper site of stellacyanin
Hough MA, et al., (2001) Acta Crystallographica D57, (3), 355-360
Electronic characterization of the oxidized state of the blue copper protein rusticyanin by 1H NMR: is the axial methionine the dominant influence for the high redox potential?
Donaire A, et al., (2001) Biochemistry 40, (3), 837-846
XAFS XI and new Sources in Europe - SLS, SOLEIL and DIAMOND
Hasnain SS, et al., (2001) Journal of Synchrotron Radiation 8, 47-48
2000
Evidence for the selective population of FeMoco sites in MoFe protein and its molecular recognition by the Fe protein in transition state complex analogues of nitrogenase
Grossmann JG, et al., (2000) Journal of Biological Chemistry 276, (9), 6582-6590
Conformational variability of the Cu site in one subunit of bovine CuZn superoxide dismutase: the importance of mobility in the Glu119-Leu142 loop region for catalytic function
Hough MA, et al., (2000) Journal of Molecular Biology 203, (2), 231-241
Phase II of the Genomic Effort
Hasnain SS, et al., (2000) Journal of Synchrotron Radiation 7, 355-355
Implementation of cluster analysis for ab initio phasing using the molecular envelope from solution x-ray scattering
Ockwell DM, et al., (2000) Acta Crystallographica D56,(8), 1002-1006
X-ray absorption spectroscopy in biology : Present and Future
Meyer-Klaucke M, & Strange, RW (2000) Synchrotron Radiation News 13,(5), 17-22
SR Source to Science
Hasnain SS, et al., (2000) Journal of Synchrotron Radiation 7, 115-115
Structures of oxidized and reduced azurinII from Alcaligenes xylosoxidans at 1.75 Angstroms resolution
Dodd FE, et al., (2000) Acta Crystallographica D56, (6), 690-696
3D EXAFS refinement of the Cu site of azurin sheds light on the nature of structural change at the metal centre in an oxidation-reduction process: an integrated approach combining EXAFS and crystallography
Cheung KC, et al., (2000) Acta Crystallographica D56, (6), 697-704
Low resolution molecular structures of isolated functional units from arthropodan and molluscan hemocyanin
Grossmann JG, et al., (2000) Biophysical Journal, 78, (2), 977-981
Can hair be used to screen for breast cancer?
Howell A, et al., (2000) Journal of Medical Genetics, 37, (4), 297-298
1999
Synchrotron Radiation Sources in the News and JSR goes online
Hasnain SS, et al., (1999) Journal of Synchrotron Radiation 6, 1069-1070
Role of the axial ligand in type 1 Cu centers studied by point mutations of Met148 in rusticyanin
Hall JF, et al., (1999) Biochemistry, 38, (39), 12675-12680
Is single wavelength anomalous scattering sufficient for solving phases? A comparison of different methods for a 2.1� structure solution
Yu-Dong L, et al., (1999) Acta Crystallographica, D55, (9), 1620-1622
Iron coordination structures of oxygen sensor FixL characterized by Fe K-edge extended x-ray absorption fine structure and resonance raman spectroscopy
Miyatake H, et al., (1999) Journal of Biological Chemistry, 274, (33), 23176-23184
Structure of metal centres in proteins at subatomic resolution
Hasnain & Hodgson (1999) Journal of Synchrotron Radiation, 6, (4), 852-864
Synchrotron Radiation and Structural Biology
Hasnain SS, et al., (1999) Journal of Synchrotron Radiation 6, 809-811
Conversion of the oldest XAFS station at the first dedicated SR source to a state-of-the-art XAFS facility
Cheung, KC, et al., (1999) Journal of Synchrotron Radiaion 6, (3) 161-163
Structural and kinetic evidence for an ordered mechanism of copper nitrite reductase
Strange RW, et al., (1999) Journal of Molecular Biology, 287, (5), 1001-1009
A low profile monolithic multi-element Ge detector for X-ray fluorescence applications
Derbyshire G, et al., (1999) Journal of Synchrotron Radiation 6, (2), 62-63
Comparing crystallographic and solution structures of nitrogenase complexes
Grossman JG, et al., (1999) Acta Crystallographica, D55, (4), 727-728
Crystallographic structures of bovine copper-zinc superoxide dismutase reveal asymmetry in two subunits: functionally important three and five coordinate copper sites captured in the same crystal
Hough MA, et al., (1999) Journal of Molecular Biology, 287, (3), 579-592
Biochemical characterization and solution structure of nitrous oxide reductase from Alcaligenes xylosoxidans
Ferretti S, et al., (1999) European Journal of Biochemistry, 259, (3), 651-659
Ab initio phasing using molecular envelope from solution x-ray scattering
Hao Q, et al., (1999) Acta Crystallographica, D55, (1), 243-246
1998
X-ray structure of a blue copper nitrite reductase in two crystal forms. the nature of the copper sites, mode of substrate binding and recognition by redox partner
Dodd FE, et al., (1998) Journal of Molecular Biology, 282, (2), 369-382
Modulating the redox potential and acid stability of rusticyanin by site directed mutagenesis of Ser86
Hall JF, et al., (1998) Biochemistry, 37, (33), 11451-11458
Structure determination of a 16.8 KDa copper protein at 2.1 Angstroms resolution using anomalous scattering data with direct methods
Harvey I, et al., (1998) Acta Crystallographica, D54, (4), 629-635
The nature of ligand induced conformational change in transferrin in solution. an investigation using x-ray scattering, XAFS and site directed mutants
Grossmann JG, et al., (1998) Journal of Molecular Biology, 279, (2), 461-472
X-ray absorption spectroscopic studies of the binding of ligands to FeMoCo of nitrogenase from Klebsiella pneumoniae
Harvey I, et al., (1998) Inorganica Chimica Acta, 276, 150-158
1997
Fifty Years of Synchrotron Radiation
Hasnain SS, et al., (1997) Journal of Synchrotron Radiation, 4, 315-315
Does the Imadazole Bridge Break During Catalysis in Cu, Zn Superoxide Dismutase? Judgement from XAFS and Crystallography
Murphy LM, et al., (1997) Journal De Physique IV, 7,(C2), 599-602
Difference EXAFS Studies of Nitrogenase and Nitrite Reductase Enzymes of the Nitrogen Cycle
Eady RR, et al., (1997) Journal De Physique IV, 7, (C2), 611-614
A critical assessment of the evidence from XAFS and crystallography for the breakage of the imidazolate bridge during catalysis in CuZn superoxide dismutase
Murphy LM, et al., (1997) Structure, 5, (3), 371-379
X-ray scattering studies of metalloproteins in solution: a quantitative approach for studying molecular conformations
Grossmann JG & Hasnain SS (1997) Journal of Applied Crystallography, 30, 770-775
Structures of a blue copper nitrite reductase and its substrate bound complex
Dodd FE, et al., (1997) Acta Crystallographica, D53, 406-418
The first glimpse of a complex of nitrogenase component proteins by solution x-ray scattering: conformation of the electron transfer transition state complex of Klebsiella pneumoniae nitrogenase
Grossman JG, et al., (1997) Journal of Molecular Biology, 266, (4), 642-648
1996
Anaerobic crystallisation of an isopenicillin N-synthase Fe(II) substrate complex demonstrated by X-ray studies
Roach PL, et al., (1996) European Journal of Biochemistry242, (3), 736-740
JSR: Required Reading
Hasnain SS, et al., (1996) Journal of Synchrotron Radation 3, (4), 247
State of the art analysis of whole x-ray absorption spectra
Binsted N & Hasnain SS (1996) Journal of Synchrotron Radation 3, (4), 185-196
Effect of pH and ligand binding on the structure of the cu site of the Met121Glu mutant of azurin from Pseudomonas aeruginosa
Strange RW, et al., (1996) Biochemistry, 35, (50),16391-16398
Direct method structure determination of the native azurin II protein using one wavelength anomalous scattering data
Xiao-Feng et al., (1996) Acta Crystallographica D52, 937-941
The structural gene for rusticyanin from Thiobacillus ferrooxidans: cloning and sequencing of the rusticyanin gene
Hall JF, et al., (1996) FEMS Microbiology Letters, 137, (1), 85-89
Structure solution of azurin II from Alcaligenes xylosoxidans using the laue method: possibility of studying in situ redox changes using x-rays
Debenham MJ, et al., (1996) Journal of Synchrotron Radiation, 3, 14-19
1995
The substrate binding site in Cu nitrite reductase and its similarity to Zn carbonic anhydrase
Strange RW, et al., (1995) Nature Structural Biology, 2, (10), 287-292
Structure of a new azurin from the denitrifying bacterium Alcaligenes xylosoxidans at high resolution
Dodd FE, et al., (1995) Acta Crystallographica, D51, 1052-1064
Evidence for 2 distinct azurins in Alcaligenes xylosoxidans (NCIMB 11015): potential electron donors to nitrite reductase
Dodd FE, et al., (1995) Biochemistry, 34, (32), 10180-10186
Quick fluorescence EXAFS: an improved method for collection of conventional xafs data and for studying reaction intermediates in dilute systems
Murphy LM, et al., (1995) Journal of Synchrotron Radiation, 2, 64-69
Structural and spectroscopic studies of the copper site of stellacyanin
Strange RW, et al., (1995) Biochemistry, 34, (1), 220-231
X-ray absorption studies and homology modeling define the structural features that specify the nature of the copper site in rusticyanin
Grossmann JG, et al., (1995) Biochemistry, 34, (26), 8406-8414
1994(Selected)
Characterization and structural analysis of a functional human serum transferrin variant and implications for receptor recognition
Evans J. et al., (1994) Biochemistry 33, 12512-12520
X-Ray Structural Studies of Some Metalloproteins
Hasnain S.S. (1994) Pure & Appl. Chem. 66, 51-56.
1993 (Selected)
Structural characterization of azurin from Pseudomonas aeruginosa and some of its methionine 121 mutants
Murphy LM, et al., (1993) Biochemistry, 32, (8), 1965-1975
X-ray scattering using synchrotron radiation shows nitrite reductase from Achromobacter xylosoxidans to be a trimer in solution
Grossmann JG, et al., (1993) Biochemistry, 32, (29), 7360-7366
Asp ligand provides the trigger for closure of transferrin molecules: direct evidence from x-ray scattering studies of site specific mutants of the N-terminal half molecule of human transferrin
Grossmann JG, et al., (1993) Journal of Molecular Biology 231, (3), 554-558
Metal induced conformational changes in transferrins
Grossmann JG, et al., (1993) Journal of Molecular Biology, 229, (3), 585-590
1992 (Selected)
X-ray solution scattering reveals conformational changes upon iron uptake in lactoferrin, serum and ovo-transferrins
Grossmann JG, et al., (1992) Journal of Molecular Biology, 225, (3), 811-819
Constrained and restrained refinement in EXAFS data analysis with curved wave theory
Binsted N, et al., (1992) Biochemistry 31, (48), 12117-12125
An e.x.a.f.s. study of the manganese O2-evolving complex in purified Photosystem II membrane fractions. The S1 and S2 states
Maclachlan et al., (1992) Biochem J. 285 569-576.
1991 (Selected)
Copper K-extended x-ray absorption fine structure studies of oxidized and reduced dopamine beta-hydroxylase. Confirmation of a sulfur ligand to copper(I) in the reduced enzyme
Blackburne et al., J Biol Chem. 266 (34) 23120-23127
X.a.f.s. studies of chicken dicupric ovotransferrin
Garratt et al., (1991) Biochem J. 280, 151-155.
Carbonmonoxy dopamine beta-hydroxylase. Structural characterization by Fourier transform infrared, fluorescence, and x-ray absorption spectroscopy
Pettingill et al., (1991) J Biol Chem. 266(26),16996-7003.
1990 (Selected)
An Understanding of the X-ray Absorption Near-Edge Structure of Copper(II) Imidazole Complexes.
Strange, R.W. et al (1990) J. Am. Chem. Soc. 112, 4265-4268
Recent advances in XAFS data analysis.In Biophysics and Synchrotron Radiation
Hasnain, S. S. & Strange, R. W. (1990) pp. 104-122, (Hasnain, S. S., ed.) Ellis Horwood Ltd, Chichester, U.K.
Iron K-edge x-ray absorption spectroscopy of the iron-vanadium cofactor of the vanadium nitrogenase from Azotobacter chroococcum
Harvey I, et al., (1990) Biochemical Journal, 266, (3), 929-931
Selected publications from pre-1990:
X-Ray Absorption Spectroscopy of Metal-Histidine Coordination in Metalloproteins. Exact Simulation of the EXAFS of Tetrakis(imidazole)copper(II) Nitrate and other Copper-Imidazole Complexes by the Use of a Multiple Scattering Treatment.
Strange, R. W., Blackburn, N. J., Knowles, P. F. & Hasnain, S. S. (1987). J. Am. Chem. Soc. 109, 7157-7162.
Anion Binding to Bovine Erythrocyte Superoxide Dismutase Studied by X-Ray absorption Spectroscopy. A Detailed Structural Analysis of the Native Enzyme and the Azido and Cyano Derivatives Using a Multiple Scattering Approach.
Blackburn, N. J., Strange, R. W., McFadden, L. M. & Hasnain, S. S. (1987). J. Am. Chem. Soc. 109, 7162-7170.
Vanadium K-edge X-ray absorption spectrum of the VFe protein of the Vanadium nitrogenase of Azotobacter chroococcum
Arber, J. M., Dobson, B. R., Eady, R. R., Stevens, P., Hasnain, S. S., Garner, C. D. & Smith, B. E. (1987). Nature 325, 372-375.
Structural study of the copper and zinc sites in metallothioneins by using extended X-ray-absorption fine structure
Abrahams, I.L., Bremner, I. Diakun, G.P., Garner, C.D., Hasnain, S.S., Ross, I. & Vasak, M. (1986). Biochem. J; 236, 585-589.
Extended-X-ray-absorption-fine-structure investigations of zinc in 5-aminolaevulinate dehydratase
Hasnain SS, Wardell EM, Garner CD, Schlosser M, Beyersmann D. (1985) Biochem J. 230 (3), 625-633.
The CO bond angle of carboxymyoglobin determined by angular-resolved XANES spectroscopy
Bianconi A, Congiu-Castellano A, Durham PJ, Hasnain SS, Phillips S. (1985) Nature 318, 685-687.
The nickel ion environment in jack bean urease
Alagna L, Hasnain SS, Piggott B, Williams DJ. (1984) Biochem J. 220 (2), 591-595.
An extended-X-ray-absorption-fine-structure study of bovine erythrocyte superoxide dismutase in aqueous solution. Direct evidence for three-co-ordinate Cu(I) in reduced enzyme
Blackburn NJ, Hasnain SS, Binsted N, Diakun GP, Garner CD, Knowles PF. (1984) Biochem J. 219(3 985-990.
X-ray absorption near edge structure (XANES) for CO, CN and deoxyhaemoglobin: geometrical information
Durham P, Bianconi A, Congiu-Castellano A, Giovannelli A, Hasnain SS, Incoccia L, Morante S, Pendry JB. (1983) EMBO J. 2(9):1441-1443.
Stereochemistry of iron in deoxyhaemoglobin
Perutz MF, Hasnain SS, Duke PJ, Sessler JL, Hahn JE. (1982) Nature 295, 535-538.
X-ray absorption spectroscopy of xanthine oxidase. The molybdenum centres of the functional and the desulpho forms
Bordas J, Bray RC, Garner CD, Gutteridge S, Hasnain SS. (1980) Biochem J. 191(2) 499-508.
Sam Horrell,a Svetlana V. Antonyuk,b* Robert R. Eady,b S. Samar Hasnain,b Michael A. Hougha and Richard W. Strangea