Sam Hay

Search results

• 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

  • Lysozyme 100%
  • Vanadium 100%
  • Halogenation 100%
  • Curvularia 100%
  • Haloperoxidase 100%

• 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

  • Electron Transport 100%
  • Reductase 75%
  • Flavoenzyme 75%
  • Flavin 50%
  • Electric Potential 25%

• 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 Access

  File

  • Iron 100%
  • Reactivity 100%
  • Metal 28%
  • Chemical Reaction 28%
  • Coordination Sphere 28%
  6 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, 50

  Research output: Contribution to journal › Article › peer-review

  Open Access

  • Methionine 100%
  • Peptide 75%
  • Amino Acid 50%
  • Vitamin 50%
  • Water Type 25%

• 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

  • Protein 100%
  • Binding Energy 100%
  • Procedure 66%
  • Chelating Agent 66%
  • Metal Ion 66%

• 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

  • Calmodulin 100%
  • Protein 37%
  • Molecular Dynamics 25%
  • Electron-Electron Double Resonance 25%
  • Dynamics 12%

• 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. 12123–12131

  Research output: Contribution to journal › Article › peer-review

  Open Access

  • Terpene 100%
  • Synthase 100%
  • Chemical Reaction Product 71%
  • Cubebol 57%
  • Chemical Reaction 28%

• 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

  • Protochlorophyllide 100%
  • NADPH 42%
  • Biosynthesis 28%
  • Photochemical Reaction 28%
  • Chlorophyll 28%

• 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

  • Synthase 100%
  • Cineole 77%
  • Carbocation 66%
  • Monoterpene 33%
  • Linalool 33%
• 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

• 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

  • Reactivity 100%
  • Heme 80%
  • Active Site 80%
  • Metal 60%
  • Structure 40%

• 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

  • Regolith 100%
  • Serum 62%
  • Albumin 62%
  • Compressive Strength 50%
  • Blood 37%

• 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 Access

  File

  • Lysozyme 100%
  • Chemical Transformation 50%
  • Baylis-Hillman Reaction 50%
  • Chemical Reaction 33%
  • Carbon 33%
  24 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

  • DNA 100%
  • Light 100%
  • Drive 100%
  • Photoreceptor Protein 100%
  • Transcription 50%

• Photocatalysis as the ‘master switch’ of photomorphogenesis in early plant development

  Heyes, D., Zhang, S., Taylor, A., Johannissen, L., Hardman, S., Hay, S. & Scrutton, N., 8 Mar 2021, In: Nature Plants.

  Research output: Contribution to journal › Review article › peer-review

  Open Access

  File

  • Photocatalysis 100%
  • Plant Development 50%
  • Photomorphogenesis 37%
  • Protochlorophyllide 37%
  • Pigment 37%
  189 Downloads (Pure)

• 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

  • Molecular Dynamics 100%
  • Sampling 60%
  • Learning 40%
  • Sample 20%
  • Solution and Solubility 20%

• Quantum Biology: An Update and Perspective

  Kim, Y., Bertagna, F., D’Souza, E. M., Heyes, D. J., Johannissen, L. O., Nery, E. T., Pantelias, A., SanchezPedreno, A., Slocombe, L., Spencer, M. G., Al-Khalili, J., Engel, G. S., Hay, S., Hingley-Wilson, S. M., Jeevaratnam, K., Jones, A., Kattnig, D., Lewis, R., Sacchi, M., Scrutton, N., & 2 othersSilva, S. R. P. & McFadden, J., 26 Jan 2021, In: Quantum Reports. 3, 1, p. 80-126

  Research output: Contribution to journal › Review article › peer-review

  Open Access

  • Ion Channels 100%
  • Channel Protein 100%
  • Procedure 66%
  • Comprehension 66%
  • Life 66%

• 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

  • Pyrrole 100%
  • Carboxylyase 100%
  • Flavine Mononucleotide 100%
  • Pseudomonas aeruginosa 100%
  • FMN 100%

• 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

  • Flavine Mononucleotide 100%
  • FMN 100%
  • Pyrrole 75%
  • Carboxylyase 75%
  • Pseudomonas aeruginosa 75%
• 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

  • Phosphor 100%
  • Surface Property 57%
  • Biomolecules 57%
  • Energy 28%
  • Energy Transfer 28%

• 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 Access

  File

  • Phosphor 100%
  • Reductase 60%
  • Surface Property 40%
  • Energy 40%
  • Green Fluorescent Protein 40%
  31 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

  • Protochlorophyllide 100%
  • Oxidoreductase 53%
  • Photocatalysis 53%
  • Structure 33%
  • Cryo-Electron Microscopy 26%

• 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 Access

  File

  • Aromatic Compound 100%
  • Carbon Dioxide 75%
  • Chemical Activation 50%
  • Carboxylation 50%
  • Microbial Biodegradation 50%
  112 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

  • Fluorescence Resonance Energy Transfer 100%
  • Phosphor 100%
  • Luminiscence Type 75%
  • Dye 75%
  • Procedure 25%

• 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

  • Vanadium 100%
  • Hypochlorite 50%
  • Chemical Reaction 40%
  • Chloride 30%
  • Ligand 20%

• 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. 100068

  Research output: Contribution to journal › Article › peer-review

  Open Access

  • Adhesive Agent 100%
  • Protein 75%
  • Spider 50%
  • Bovine Serum Albumin 50%
  • Hydrogen 25%

• 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 Access

  File

  • Tyrosine 100%
  • Phenol 50%
  • L-Tyrosine 50%
  • Ethyl 37%
  • L-Cysteine 37%
  67 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 Access

  File

  • Electron 100%
  • Histidine 83%
  • Cytochrome 50%
  • Peroxidase 50%
  • Proton 33%
  59 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

  • Cineole 100%
  • Synthase 83%
  • Cyclization Reaction 66%
  • Monoterpene 66%
  • Cyclization 66%

• 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

  • Protein 100%
  • Cofactors 80%
  • Probe 80%
  • Cofactor 80%
  • Energy Transfer 60%
• 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. 1049-1057

  Research output: Contribution to journal › Article › peer-review

  Open Access

  File

  • Strain 100%
  • 1,3-cycloaddition 100%
  • Cinnamic Acid 100%
  • Enzyme 100%
  • Acid 100%
  36 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

  • O-Methyltransferase 100%
  • Static Electricity 80%
  • Active Site 80%
  • Methionine 60%
  • S-Adenosyl-L-Methionine 60%

• 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

  • Graphene 100%
  • Nanocomposites 50%
  • Polymer 50%
  • Nanocomposite 50%
  • Fiber 33%

• 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

  • Protein 100%
  • Reductase 100%
  • Lysozyme 66%
  • Cofactors 66%
  • Flavoenzyme 66%

• 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 Access

  File

  • Heme 100%
  • Mycobacterium Tuberculosis 30%
  • Iron 30%
  • Solvent 30%
  • Degradation 20%
  26 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

  • Reductase 100%
  • Lysozyme 62%
  • Mutagenesis 25%
  • Arginine 25%
  • Introspection 12%

• 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. 722-725

  Research output: Contribution to journal › Article › peer-review

  Open Access

  File

  • Light 100%
  • Active Site 100%
  • Anabolism 66%
  • Reduction (Chemistry) 66%
  • Photocatalysis 66%
  386 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

  • Synthetic Biology 100%
  • Process Engineering 100%
  • Biochemical 100%
  • Fields 50%
  • Fiber 50%

• 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 Access

  File

  • Methylcobalamin 100%
  • Acceleration 100%
  • Electron Spin 83%
  • Dynamics 66%
  • Photolysis 50%
  83 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

  • Copper 100%
  • Catalysis 37%
  • Nitrite 37%
  • Lysozyme 25%
  • Electron 25%

• 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 Access

  File

  • Tunneling 100%
  • Chemical Reaction 55%
  • Enzymatic Reaction 33%
  • Enzyme 33%
  • Signature 33%
  27 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

  • Reductase 100%
  • Lysozyme 40%
  • Cofactors 40%
  • Flavoenzyme 40%
  • Flavin Mononucleotide 40%

• 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

  • Pentaerythritol Tetranitrate 100%
  • Reductase 100%
  • Dynamics 44%
  • Sphere 33%
  • NADPH 33%

• 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

  • Carbon Dioxide 100%
  • Carboxylation 100%
  • Resorcinol 100%
  • Procedure 50%
  • Optimization 50%

• 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 Access

  File

  • Nitric Oxide Synthase 100%
  • Nitric Oxide 50%
  • Lysozyme 33%
  • Molecule 16%
  • Isoform 16%
  167 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

  • O-Methyltransferase 100%
  • Chemical Shift 33%
  • Neurotransmitter 33%
  • Methionine 33%
  • Lysozyme 16%

• 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

  • Cobalamin 100%
  • Chemical Reaction 40%
  • Adduct 40%
  • Density Functional Theory 40%
  • Dehalogenation 40%

• 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

  • Nitric Oxide Synthase 100%
  • Protein 33%
  • Molecule 33%
  • Catalysis 33%
  • Enzyme Metabolism 33%

• 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. 3190–3198

  Research output: Contribution to journal › Article › peer-review

  Open Access

  File

  • Tunneling 100%
  • Chemical Reaction 66%
  • Simulation 66%
  • Rate Constant 66%
  • Catalysis 33%
  150 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. 12985-12993

  Research output: Contribution to journal › Article › peer-review

  Open Access

  File

  • Application 100%
  • Thermodynamics 75%
  • Pressure 75%
  • Procedure 50%
  • Structure 50%
  239 Downloads (Pure)