Research output per year
Research output per year
- 1 - 50 out of 118 results
Search results
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2023
How is substrate halogenation triggered by the vanadium haloperoxidase from Curvularia inaequalis?
Gerard, E., Mokkawes, T., Johannissen, L., Warwicker, J., Spiess, R., Blanford, C. F., Hay, S., Heyes, D. & De Visser, S., 19 May 2023, (Accepted/In press) In: ACS Catalysis.Research output: Contribution to journal › Article › peer-review
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Photoinduced Electron Transfer from a 1,4,5,6-Tetrahydro Nicotinamide Adenine Dinucleotide (Phosphate) Analog to Oxidized Flavin in an Ene-Reductase Flavoenzyme
Speirs, M., Hardman, S., Iorgu, A. I., Johannissen, L., Heyes, D., Scrutton, N., Sazanovich, I. V. & Hay, S., 23 Mar 2023, (Accepted/In press) In: Journal of Physical Chemistry Letters.Research output: Contribution to journal › Article › peer-review
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Reactivity Differences of Trigonal Pyramidal Nonheme Iron(IV)‐Oxo and Iron(III)‐Oxo Complexes: Experiment and Theory.
Cao, Y., Valdez-Moreira, J. A., Hay, S., Smith, J. M. & De visser, S. P., 9 May 2023, (E-pub ahead of print) In: Chemistry – A European Journal.Research output: Contribution to journal › Article › peer-review
Open AccessFile4 Downloads (Pure) -
2022
A Vitamin B2-Photocatalysed Approach to Methionine Analogues
Knowles, O. J., Johannissen, L. O., Crisenza, G. E. M., Hay, S., Leys, D. & Procter, D. J., 5 Dec 2022, In: Angewandte Chemie. International Edition. 61, 50Research output: Contribution to journal › Article › peer-review
Open Access -
Chelator-based parameterization of the 12-6-4LJ molecular mechanics potential for more realistic metal ion-protein interactions
Kantakevičius, P., Mathiah, C., Johannissen, L. & Hay, S., 10 Mar 2022, (Accepted/In press) In: Journal of Chemical Theory and Computation.Research output: Contribution to journal › Article › peer-review
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Combined pulsed electron double resonance EPR and molecular dynamics investigations of calmodulin suggest effect of crowding agents on protein structure
Shanmugam, M., Kutta, R., Scrutton, N., Lovett, J. & Hay, S., 9 Aug 2022, (Accepted/In press) In: Biochemistry.Research output: Contribution to journal › Article › peer-review
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How a 10-epi-cubebol Synthase Avoids Premature Reaction Quenching to Form a Tricyclic Product at High Purity
Whitehead, J. N., Leferink, N. G. H., Komati Reddy, G., Levy, C. W., Hay, S., Takano, E. & Scrutton, N. S., 7 Oct 2022, In: ACS Catalysis. 12, 19, p. 12123–12131Research output: Contribution to journal › Article › peer-review
Open Access -
How Photoactivation Triggers Protochlorophyllide Reduction: Computational Evidence of a Stepwise Hydride Transfer During Chlorophyll Biosynthesis
Johannissen, L., Taylor, A., Hardman, S., Heyes, D., Scrutton, N. & Hay, S., 8 Mar 2022, (Accepted/In press) In: ACS Catalysis.Research output: Contribution to journal › Article › peer-review
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Molecular determinants of carbocation cyclisation in bacterial monoterpene synthases
Leferink, N., Escorcia, A. M., Ouwersloot, B. R., Johanissen, L. O., Hay, S., van der Kamp, M. W. & Scrutton, N., 10 Jan 2022, In: CHEMBIOCHEM.Research output: Contribution to journal › Article › peer-review
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2021
A Noncanonical Tryptophan Analogue Reveals an Active Site Hydrogen Bond Controlling Ferryl Reactivity in a Heme Peroxidase
Ortmayer, M., Hardy, F. J., Quesne, M. G., Fisher, K., Levy, C., Heyes, D. J., Catlow, C. R. A., Visser, S. P. D., Rigby, S. E. J., Hay, S. & Green, A. P., 26 Jul 2021, In: JACS Au.Research output: Contribution to journal › Article › peer-review
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A non-canonical tryptophan analogue reveals an active site hydrogen bond controlling ferryl reactivity in a heme peroxidase
Ortmayer, M., Hardy, F., Quesne, M., Fisher, K., Levy, C., Heyes, D., Catlow, C. R. A., De Visser, S., Rigby, S., Hay, S. & Green, A., 23 Apr 2021, (Accepted/In press) In: JACS Au.Research output: Contribution to journal › Article › peer-review
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Blood, sweat and tears: extraterrestrial regolith biocomposites with in vivo binders
Roberts, A., Whittall, D., Breitling, R., Takano, E., Blaker, J., Hay, S. & Scrutton, N., 3 Sep 2021, (Accepted/In press) In: Materials Today Bio.Research output: Contribution to journal › Article › peer-review
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Engineering an Efficient and Enantioselective Enzyme for the Morita-Baylis-Hillman Reaction
Crawshaw, R., Crossley, A., Johannissen, L., Burke, A., Hay, S., Levy, C., Baker, D., Lovelock, S. & Green, A., 16 Dec 2021, In: Nature Chemistry.Research output: Contribution to journal › Article › peer-review
Open AccessFile24 Downloads (Pure) -
Interplay Between Chromophore-Binding and Domain Assembly by the B12-Dependent Photoreceptor Protein, CarH
Camacho, I., Black, R., Heyes, D., Johannissen, L. O., Ramakers, L. A. I., Bellina, B., Barran, P., Hay, S. & Jones, A. R., 5 May 2021, In: Chemical Science.Research output: Contribution to journal › Article › peer-review
Open Access -
Predicting New Protein Conformations from Molecular Dynamics Simulation Conformational Landscapes and Machine Learning
Jin, Y., Johannissen, L. & Hay, S., 25 Feb 2021, (E-pub ahead of print) In: Proteins: structure, function, and bioinformatics .Research output: Contribution to journal › Article › peer-review
Open Access -
Structure and mechanism of Pseudomonas aeruginosa PA0254/HudA, a prFMNdependent pyrrole-2-carboxylic acid decarboxylase linked to virulence
Payne, K., Marshall, S., Fisher, K., Rigby, S., Cliff, M., Spiess, R., Cannas, D., Larrosa, I., Hay, S. & Leys, D., 5 Feb 2021, (Accepted/In press) In: ACS Catalysis.Research output: Contribution to journal › Article › peer-review
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Structure and Mechanism of Pseudomonas aeruginosa PA0254/HudA, a prFMN-Dependent Pyrrole-2-carboxylic Acid Decarboxylase Linked to Virulence
Payne, K. A. P., Marshall, S. A., Fisher, K., Rigby, S. E. J., Cliff, M. J., Spiess, R., Cannas, D. M., Larrosa, I., Hay, S. & Leys, D., 5 Mar 2021, In: ACS Catalysis. 11, 5, p. 2865-2878 14 p.Research output: Contribution to journal › Article › peer-review
Open Access -
2020
Assessing the Covalent Attachment and Energy Transfer Capabilities of Upconverting Phosphors With Cofactor Containing Bioactive Enzymes
Burgess, L., Wilson, H., Jones, A. R., Hay, S. & Natrajan, L. S., 21 Dec 2020, In: Frontiers in Chemistry. 8, 613334.Research output: Contribution to journal › Article › peer-review
Open Access -
Covalent attachment of active enzymes to upconversion phosphors allows ratiometric detection of substrates
Natrajan, L., Hay, S., Burgess, L., Harvey, P. & Jones, A., 31 May 2020, In: Chemistry – A European Journal.Research output: Contribution to journal › Article › peer-review
Open AccessFile31 Downloads (Pure) -
Dual Role of the Active Site ‘Lid’ Regions of Protochlorophyllide Oxidoreductase in Photocatalysis and Plant Development
Zhang, S., Godwin, A., Taylor, A., Hardman, S., Jowitt, T., Johannissen, L., Hay, S., Baldock, C., Heyes, D. & Scrutton, N., 31 Aug 2020, (E-pub ahead of print) In: The FEBS Journal.Research output: Contribution to journal › Article › peer-review
Open Access -
Enzymatic C-H activation of aromatic compounds through CO2 fixation
Aleku, G., Saaret, A., Bradshaw Allen, R., Derrington, S., Titchiner, G., Gostimskaya, I., Gahloth, D., Parker, D. A., Hay, S. & Leys, D., 1 Nov 2020, In: Nature chemical biology. 16, 11, p. 1255-1260 6 p.Research output: Contribution to journal › Article › peer-review
Open AccessFile112 Downloads (Pure) -
Evaluating spectral overlap with the degree of quenching in UCP luminescence energy transfer systems
Burgess, L., Wilson, H., Jones, A., Hay, S. & Natrajan, L., 7 Jul 2020, (Accepted/In press) In: Methods and Applications in Fluorescence.Research output: Contribution to journal › Article › peer-review
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How do vanadium chloroperoxidases generate hypochlorite from hy-drogen peroxide and chloride? A computational study.
Bin Mubarak, M. Q. E., Gerard, E., Blanford, C. F., Hay, S. & De Visser, S., 17 Nov 2020, In: ACS Catalysis.Research output: Contribution to journal › Article › peer-review
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Non-covalent protein-based adhesives for transparent substrates – bovine serum albumin vs. recombinant spider silk
Roberts, A., Finnigan, W., Kelly, P., Faulkner, M., Breitling, R., Takano, E., Scrutton, N., Blaker, J. & Hay, S., 10 Jul 2020, In: Materials Today Bio. 7, p. 100068Research output: Contribution to journal › Article › peer-review
Open Access -
Pressure and temperature effects on formation of aminoacrylate intermediates of tyrosine phenol-lyase demonstrate reaction dynamics
Phillips, R. S., Craig, S., Kovalevsky, A. Y., Gerlits, O. O., Weiss, K. L., Iorgu, A. I., Heyes, D. J. & Hay, S., 2020, In: ACS Catalysis.Research output: Contribution to journal › Article › peer-review
Open AccessFile67 Downloads (Pure) -
Rewiring the ‘Push-Pull’ Catalytic Machinery of a Heme Enzyme using an Expanded Genetic Code
Ortmayer, M., Fisher, K., Basran, J., Wolde-Michael, E. M., Heyes, D. J., Levy, C., Lovelock, S. L., Anderson, J. L. R., Raven, E. L., Hay, S., Rigby, S. E. J. & Green, A. P., 2020, In: ACS Catalysis. 10, 4, p. 2735-2746 12 p.Research output: Contribution to journal › Article › peer-review
Open AccessFile59 Downloads (Pure) -
Taming the reactivity of monoterpene synthases to guide regioselective product hydroxylation
Leferink, N., Ranaghan, K. E., Battye, J., Johannissen, L., Hay, S., Kamp, M. W. V. D., Mulholland, A. J. & Scrutton, N., 2020, In: CHEMBIOCHEM. 20, p. 1-7 7 p.Research output: Contribution to journal › Article › peer-review
Open Access -
Ultrafast Vibrational Energy Transfer between Protein and Cofactor in a Flavoenzyme
Hardman, S. J. O., Iorgu, A. I., Heyes, D. J., Scrutton, N. S., Sazanovich, I. V. & Hay, S., 4 Jun 2020, (E-pub ahead of print) In: The Journal of Physical Chemistry B.Research output: Contribution to journal › Article › peer-review
Open Access -
2019
Enzymatic control of cycloadduct conformation ensures reversible 1,3 dipolar cycloaddition in a prFMN dependent decarboxylase
Bailey, S., Payne, K., Saaret, A., Marshall, S., Gostimskaya, I., Kosov, I., Fisher, K., Hay, S. & Leys, D., 16 Sep 2019, In: Nature Chemistry. 11, p. 1049-1057Research output: Contribution to journal › Article › peer-review
Open AccessFile35 Downloads (Pure) -
Equatorial active site compaction and electrostatic reorganization in catechol-O-methyltransferase
Czarnota, S., Johannissen, L. O., Baxter, N. J., Rummel, F., Wilson, A., Cliff, M. J., Levy, C. W., Scrutton, N. S., Waltho, J. P. & Hay, S., 2019, In: ACS Catalysis. 9, 5, p. 4394-4401 8 p.Research output: Contribution to journal › Article › peer-review
Open Access -
Graphene–aramid nanocomposite fibres via superacid co-processing
Roberts, A., Kelly, P., Bain, J., Morrison, J., Wimpenny, I., Barrow, M., Woodward, R. T., Gresil, M., Blanford, C. F., Hay, S., Blaker, J., Yeates, S. & Scrutton, N., 11 Sep 2019, In: Chemical Communications.Research output: Contribution to journal › Article › peer-review
Open Access -
Isotopically labeled flavoenzymes and their uses in probing reaction mechanisms
Iorgu, A. I., Cliff, M., Waltho, J., Scrutton, N. & Hay, S., 2019, In: Methods in Enzymology.Research output: Contribution to journal › Article › peer-review
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MhuD from Mycobacterium tuberculosis - probing a dual role in heme storage and degradation
Matthews, S., Pacholarz, K., France, A., Jowitt, T., Hay, S., Barran, P. & Munro, A., 2019, In: ACS Infectious Diseases. 8, 5(11), p. 1855-1866 12 p., doi: 10.1021/acsinfecdis.9b00181.Research output: Contribution to journal › Article › peer-review
Open AccessFile26 Downloads (Pure) -
Selectivity through discriminatory induced fit enables switching of NAD(P)H coenzyme specificity in Old Yellow Enzyme ene-reductases
Iorgu, A. I., Hedison, T., Hay, S. & Scrutton, N., 2019, In: The FEBS Journal.Research output: Contribution to journal › Article › peer-review
Open Access -
Structural basis for enzymatic photocatalysis in chlorophyll biosynthesis
Zhang, S., Heyes, D. J., Feng, L., Sun, W., Johannissen, L. O., Liu, H., Levy, C. W., Li, X., Yang, J., Yu, X., Lin, M., Hardman, S. J. O., Hoeven, R., Sakuma, M., Hay, S., Leys, D., Rao, Z., Zhou, A., Cheng, Q. & Scrutton, N. S., 23 Oct 2019, In: Nature. 574, p. 722-725Research output: Contribution to journal › Article › peer-review
Open AccessFile385 Downloads (Pure) -
Synthetic biology for fibres, adhesives and active camouflage materials in protection and aerospace
Roberts, A., Finnigan, W., Wolde-Michael, E., Kelly, P., Blaker, J., Hay, S., Breitling, R., Takano, E. & Scrutton, N., 2019, In: MRS Communications.Research output: Contribution to journal › Article › peer-review
Open Access -
The Photochemical Spin Dynamics of the Vitamin B12 Derivative, Methylcobalamin
Lukinović, V., Woodward, J. R., Marrafa, T. C., Shanmugam, M., Heyes, D. J., Hardman, S. J. O., Scrutton, N. S., Hay, S., Fielding, A. J. & Jones, A. R., 2019, In: The Journal of Physical Chemistry B.Research output: Contribution to journal › Article › peer-review
Open AccessFile83 Downloads (Pure) -
Unexpected Roles of a Tether Harboring a Tyrosine Gatekeeper Residue in Modular Nitrite Reductase Catalysis
Hedison, T., Shenoy, R., Iorgu, A. I., Heyes, D., Fisher, K., Wright, G., Hay, S., Eady, R. R., Antonyuk, S., Hasnain, S. S. & Scrutton, N. S., 2019, In: ACS Catalysis.Research output: Contribution to journal › Article › peer-review
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What are the signatures of tunnelling in enzyme-catalysed reactions?
Johannissen, L. O., Iorgu, A. I., Scrutton, N. & Hay, S., 2019, In: Faraday Discussions.Research output: Contribution to journal › Article › peer-review
Open AccessFile27 Downloads (Pure) -
2018
H-1, N-15 and C-13 backbone resonance assignments of pentaerythritol tetranitrate reductase from Enterobacter cloacae PB2
Iorgu, A. I., Baxter, N. J., Cliff, M. J., Waltho, J. P., Hay, S. & Scrutton, N. S., Apr 2018, In: Biomolecular NMR Assignments. 12, 1, p. 79-83 5 p.Research output: Contribution to journal › Article › peer-review
Open Access -
Non-equivalence of second sphere ‘non-catalytic’ residues in pentaerythritol tetranitrate reductase in relation to local dynamics linked to H-transfer in reactions with NADH and NADPH coenzymes
Iorgu, A. I., Baxter, N. J., Cliff, M. J., Levy, C., Waltho, J. P., Hay, S. & Scrutton, N. S., 7 Dec 2018, In: ACS Catalysis. 8, 12, p. 11589-11599 11 p.Research output: Contribution to journal › Article › peer-review
Open Access -
Pressurized CO2 as Carboxylating Agent for the Biocatalytic ortho-Carboxylation of Resorcinol
Plasch, K., Hofer, G., Keller, W., Hay, S., Heyes, D., Dennig, A., Glueck, S. M. & Faber, K., 2018, In: Green Chemistry.Research output: Contribution to journal › Article › peer-review
Open Access -
Trapping methods for probing functional intermediates in nitric oxide synthases and related enzymes
Hedison, T., Hay, S. & Scrutton, N., 1 Jun 2018, In: Frontiers in Bioscience. 23, 10, p. 1874-1888 14 p.Research output: Contribution to journal › Article › peer-review
Open AccessFile167 Downloads (Pure) -
2017
1H, 15N, 13C backbone resonance assignments of human soluble catechol Omethyltransferase in complex with S-adenosyl-L-methionine and 3,5-dinitrocatechol
Czarnota, S., Baxter, N. J., Cliff, M. J., Waltho, J. P., Scrutton, N. S. & Hay, S., Apr 2017, In: Biomolecular NMR Assignments. 11, 1, p. 57-61 5 p.Research output: Contribution to journal › Article › peer-review
Open Access -
A common mechanism for coenzyme cobalamin-dependent reductive dehalogenases
Johannissen, L., Leys, D. & Hay, S., 2017, In: Physical Chemistry Chemical Physics. 19, 8, p. 6090-6094 5 p.Research output: Contribution to journal › Article › peer-review
Open Access -
A perspective on conformational control of electron transfer in nitric oxide synthases
Hedison, T., Hay, S. & Scrutton, N., 28 Feb 2017, In: Nitric Oxide: Biology and Chemistry. 63, p. 61-67 7 p.Research output: Contribution to journal › Article › peer-review
Open Access -
Convergence of Theory and Experiment on the Role of Preorganization, Quantum Tunneling, and Enzyme Motions into Flavoenzyme-Catalyzed Hydride Transfer
Delgado, M., Gorlich, S., Longbotham, J. E., Scrutton, N., Hay, S., Moliner, V. & Tuñón, I., 2017, In: ACS Catalysis. 7, p. 3190–3198Research output: Contribution to journal › Article › peer-review
Open AccessFile150 Downloads (Pure) -
Decoupled Associative and Dissociative Processesin Strong yet Highly Dynamic Host-Guest Complexes
Appel, E. A., Biedermann, F., Hoogland, D., del Barrio, J., Driscoll, M. D., Hay, S., Wales, D. J. & Scherman, O. A., 29 Jun 2017, In: Journal of the American Chemical Society. 139, 37, p. 12985-12993Research output: Contribution to journal › Article › peer-review
Open AccessFile239 Downloads (Pure) -
Expanding the scope of biomolecule monitoring with ratiometric signaling from rare-earth upconverting phosphors
Natrajan, L., Hay, S., Jones, A., Harvey, P., Oakland, C., Burgess, L. & Andrews, M., 3 Aug 2017, In: European Journal of Inorganic Chemistry. 10 p.Research output: Contribution to journal › Article › peer-review
Open AccessFile92 Downloads (Pure) -
Liver microsomal lipid enhances the activity and redox coupling of colocalized cytochrome P450 reductase-cytochrome P450 3A4 in nanodiscs
Liu, K-C., Hughes, J., Hay, S. & Scrutton, N., 17 Jul 2017, In: The FEBS Journal. 284, 14, p. 2302-2319 18 p.Research output: Contribution to journal › Article › peer-review
Open Access