Research Articles

69

Ion binding with charge inversion combined with screening modulates DEAD box helices phase transitions. Crabtree MD, Holland J, Pillai AS, Kompella PS, Babl L, Tuner NN, Eaton JT, Hochberg GKA, Arts DGAL, Redfield C, Baldwin AJ, Nott TJ. . Cell Reports 42 (11), (2023)
Link to open access publication

68

Biocatalytic reductive lamination as a route to isotopically labelled amino acids suitable for analysis of larger protein by NMR
Rowbotham JS, Nicholson JH, Ramirez MA, Urata K, Todd PMT, Karunanithy G, Lauterbach L, Reeve HA, Baldwin AJ, Vincent KA
Chemical Science 14 12160, (2023)
Link to OA publication

67

Uncovering the role of N-glycan occupancy on the cooperative assembly of Spike and Angiotensin converting enzyme 2 complexes insights from glycoengineering and native mass spectrometry
El-Baba TJ, Lutomski CA, Burnap S, Bolla J, Baker LA, Baldwin AJ, Struwe W, Robinson C
JACS 145 (14) 8021-8032 (2023)
Link to publication

66

Posttranslational, site-directed photochemical fluorine editing of protein side chains to probe residue oxidation state via 19F-nuclear magnetic resonance
Isenegger PG, Josephson B, Gaunt B, Davy MJ, Gouverneur V, Baldwin AJ, Davis B
Nature Protocols 18, 1543-1562 (2023)
Link to publication

65

Efficiently computing the Uhlman fidelity for density matrices
Baldwin AJ, Jones J
Physical Review A 107 012427 (2023)
Link to publication

64

Pathogen-sugar interactions revealed by universal saturation transfer analysis
Buchanan, C.J., Gaunt, B., Harrison, P., Yang, Y., Liu, J., Khan, A., Giltrap, A.M., Le Bas, A., Ward, P.N., Gupta, K., Dumoux, M., Tan, T.K., Schimaski, L., Daga, S., Picchiotti, N., Baldassari, M., Benetti, E., Fallerini, C., Fava, F., Gilberto, A., Koukos, P.I., Davy, M.J., Lakshminarayanan, A., Xue, X., Papadakis, G., Deimel, L.P., Casablancas-Antras, V., Claridge, T.D.W., Bonvin, A.M.J.J., Sattentau, Q.J., Furrini, S., Gori, M., Huo, J., Owens, R.J., Schaffitzel, C., Berger, I., Renieri, A., Naismith, J.H., Baldwin, A.J., Davis, B.G.
Science 377 (6604) (2022)
Pre-publication on science

63

Reductive site-selective atypical C,Z-type/N2-C2 cleavage allows C-terminal protein amidation
Mollner, T.A., Giltrap, A.M., Zeng, Y., Demyanenko, Y., Buchanan, C., Oehlrich, D., Baldwin, A.J., Anthony, D.C., Mohammed, S., Davis, B.G.
Science Advances 8 (14) (2022)

62

Quantitative chemical exchange saturation transfer imaging of nuclear Overhauser effects in acute ischemic stroke
Msayib, Y., Harston, G.W.J., Ray, K.J., Larkin, J.R., Sutherland, B.A., Sheeran, F., Blockley, N.P., Odell, T.W., Jezzard, P., Baldwin, A., Simson, N.R., Kennedy, J., Chappell, M.
Magnetic Resonance in Medicine (2022)

61

Post-translational insertion of boron in proteins to probe and modulate function
Mollner, T.A., Isenegger, P.G., Josephson, B., Buchanan, C., Lercher, L., Oehlrich, D, Flemming Hansen D., Mohammed, S., Baldwin, A.J., Gouverneur, V., Davis, B.G.
Nature Chemical Biology 17 (2021)

60

A weakened interface in the P182L variant of HSP27 associated with sever Charcot-Marie-Tooth neuropathy causes aberrant binding to interacting proteins
Alderson, T.R., Adriaenssens, E., Asselbergh, B., Pritisanac, I., Van Lent, J., Gastall, H.Y., Waelti, M.A., Louis, J.M., Timmermann, V., Baldwin, A.J., Benesch, J.L.P.
The EMBO journal 49 (8) (2021)
Link

59

Fast molecular compression by a hyper thermal collision gives bond-selective mechanochemistry
Krumbein, L., Anggara, K., Stella, M., Michnowicz, T., Ochner, H., Abb, S., Rinke, G., Portz, A., Duerr, M., Schlickum, U., Baldwin, A., Floris, A., Kern, K., Rauschenbach, S.
Physical Review Letters 126 (5) (2021)
Link

57

Cell-permable Ianthanide-platinum (IV) anti-cancer prodrugs
Yao, K. Karunanithy, G., Howarth, A., Holdship, P., Thompson, A.L., Christensen, K.E., Baldwin, A.J., Faulkner, S., Farrer, N.J.
Dalton Transactions 50(25) (2021)
Link

54

Light-driven post-translational installation of reactive protein side chains
Josephson, B., Fehl, C., Isenegger, P.G., Nadal, S., Wright, T.H., Pop, A.W.J., Bower, B.J., Giltrap, A.M., Chen, L., Batchelor-McAuley, C., Roper, G., Arisa, O., Sap, J.B.I., Kawamura, A., Baldwin, A.J., Mohammed, S., Compton, R.G., Gouverneur, V., Davis, B.G.
Nature 585 (7826) 530-537 (2020)
Link

53

Local frustration determines loop opening during catalytic cycle of an oxidoreductase
Stelzl, L.S., Mavridou, D.A., Saridakis, E., Gonzalez, D., Baldwin, A.J., Ferguson, S.J., Sansom, M.S.P., Redfield, C.
eLife 9 e54661 (2020)
Link

52

Conditional disorder in small heat-shock proteins
Alderson, T.R., Ying, J., Bax, A., Benesch, J.L.P., Baldwin, A.J.
Journal of molecular biology 432 (9), 3033-3-49 (2020)
Link

51

Dynamic design: manipulation of millisecond timescale motions on the energy landscape of cyclophilin A
Juarez-Jimenez, J., Gupta, A.A., Karunanithy, G., Mey, A.S.J.S., Georgiou, C., Ioannidis, H., De Simone, A., Barlow, P.N., Hulme, A.N., Walkingshaw, M.D., Baldwin, A.J., Michel, J.
Chemical Science 11(10) 2021
Link

50

An in-cell diffusion method to characterize the size, abundance and permeability of cells
Karunanithy G, Wheeler RJ, Tear L, Farrer NJ, Faulkner S, Baldwin AJ*
JMR 302 1-13 (2018)
INDIANA software: http://indiana.chem.ox.ac.uk/

49

HspB1 phosphorylation regulates its intramolecular dynamics and mechanosensitive molecular chaperone interaction with filamin C
Collier, M., Alderson, T.R., de Villiers, C., Nicholls, D., Gastall, H., Allison, T., Degiacomi, M., Fuerst, D., van de Ven, P., Djinovic-Carugo, K., Baldwin, AJ, Watkins, H., Gehmlich, K., Benesch, J.L.P.
Science Advances 5 eeaav8421(2019)
Link

48

Local unfolding of the HSP27 monomer regulates chaperone activity
Alderson TR, Roche J, Dias DM, Gastall HY, Pritišanac I, Ying J, Bax A, Benesch JLP, Baldwin AJ*
Nature communications, 10 1068 (2019)
Link

46

Measuring Diffusion Constants of Invisible Protein Conformers by Triple Quantum 1H CPMG Relaxation Dispersion
Yuwen T, Sekhar A, Baldwin AJ, Vallurupalli P, Kay LE
Angewandte Chemie Int Ed. 57 51(2018)
link

45

Formation of a translocation competent protein complex by a dynamic wrap-around binding mechanism
Gupta AA, Reinartz I, Karunanithy G, Spilotros A, Jonna VR, Hofer A, Svergun DI, Baldwin AJ, Schug A, Wolf-Watz M
JMB 14:430:3157-3169 (2018)
link

44

Structural principles that enable oligomeric small heat-shock protein paralogs to evolve distinct functions
Hochberg GKA, Shepherd DA, Marklund EG, Santhanagoplan I, Degiacomi MT, Laganowsky A, Allison TM, Basha E, Marty M, Galpin MR, Struew WB, Baldwin AJ, Vierling E, Benesch LP
Science 359, 6378 930 2018
link
pdf

43

Selective radical trifluoromethylation of native residues in proteins
Imiołek M, Karunanithy G, Ng WL, Baldwin AJ, Gouverneur VE, Davis BG
JACS 140(5) 1568 2018
link

42

Structural and hydrodynamic properties of intrinsically disordered Ddx4 molecules upon phase separation
Brady J, Farber PJ, Shekhar A, Lin Y-H, Huang R, Bah A, Nott TJ, Chan HS, Baldwin AJ, Forman-Kay J, Kay LE
PNAS 114(39) 2017
link

41


Accommodating protein dynamics in the modelling of chemical cross links
Degiacomi MT, Schmidt C, Baldwin AJ, Benesch JLP
Structure 25(11) 1751 2017 2017
Software download: DynamXL
link

40

Proline isomerization in the C-terminal region of HSP27
Alderson R, Benesch JLP, Baldwin AJ,
Cell and cell stress 22(4):639-651 2017

39


Automatic assignment of methyl-NMR spectra of supra-molecular machines using graph theory
Pritisanac I, Degiacomi M, Alderson R, Carneiro M, Eiso AB, Siegal G, Baldwin AJ,
J. Am. Chem. Soc. 139 (28), 9523–9533 2017
link
Software: MAGMA

38


Monitoring the disassembly of virus-like particles by 19F-NMR
Leung RLC, Robinson MDM, Alaa AAA, Karunanithy G, Lyons B, Raj R, Raoufmoghaddam S, Mohammed S, Claridge TDW, Baldwin AJ, Davis BG
J. Am. Chem. Soc. (2017) 139 5277
link

37


The role of interfacial lipids in stabilising membrane protein oligomers
Gupta K, Donlan JAC, Hopper JTS, Uzdavinys P, Landreh M, Struwe WB, Drew D, Baldwin AJ, Stansfeld PJ, Robinson CV
Nature (2017) 541, 421–424
link

36


Post-translational mutagenesis: a chemical strategy for exploring protein side-chain diversity
Wright TH, Bower BJ, Chalker JM, Bernardes GJL, Wiewiora R, Ng WL, Raj R, Faulkner S, Vallée MRJ, Phanumartwiwath A, Coleman OD, Thézénas ML, Khan M, Galan SRG, Lercher L, Schombs MW, Gerstberger S, Palm-Espling MEP, Baldwin AJ, Kessler BM, Claridge TDW, Mohammed S, Davis BG
Science (2016) 354, 596 and aag1465 2016
pdf

Featured in a Perspective in Science, a Research Highlight in Nature Methods and in an Article in Chemical & Engineering News.

35

Determination of an optimally sensitive and specific Chemical Exchange Saturation Transfer MRI quantification metric in relevant biological phantoms
Ray KJ, Larkin JR, Tee YK, Khrapitchev AA, Karunanithy G, Barber M, Baldwin AJ, Chappell MA, Sibson NR
NMR in biomedicine (2016) 29 (11), 1624-1633
pdf
supp

34



Harnessing NMR relaxation interference effects to characterise supramolecular assemblies
Karunanithy G, Cnossen A, Müller H, Peeks MD, Rees NH, Claridge TDW, Anderson HL, Baldwin AJ
Chemical Communications (2016) 52, 7450-7453
pdf
supp
(Cover Art, right)

33


Membraneless organelles can melt nucleic acid duplexes and act as biomolecular filters
Nott TJ, Craggs TD, Baldwin AJ
Nature Chemistry (2016) 8, 569-575
link
Nature Chemistry News and Views link
Editors choice, Science link
Health Medicinet link
Phys.org link

32


Quantifying the stabilizing effects of protein-ligand interactions in the gas phase
Allison TM, Reading E, Liko I, Baldwin AJ, Laganowsky A, Robinson CV
Nature Communications (2015) DOI: 10.1038/ncomms9551
pdf

31


Investigating the Mechanisms of Amylolysis of Starch Granules by Solution-State NMR
Baldwin AJ, Egan D, Warren F, Barker PD, Dobson CM, Butterworth P, Ellis P
Biomacromolecules (2015) 16, 1614−1621
pdf

30


Bayesian Deconvolution of Mass and Ion Mobility Spectra: From Binary Interactions to Polydisperse Ensembles
Marty MT, Baldwin AJ, Marklund EG, Hochberg GKA, Benesch JLP, Robinson CV
Anal. Chem. (2015) 87 (8) 4370-4376
pdf

29


Collision Cross Sections for Structural Proteomics
Markland EG, Degiacomi MT, Robinson CV, Baldwin AJ, Benesch JLP
Structure (2015) 23(4):791-9
pdf

28

Combining tandem mass spectrometry with ion mobility separation to determine the architecture of polydisperse proteins
Shepherd DA, Marty MT, Giles K, Baldwin AJ, Benesch JLP
Int. J mass spec. (2015) 377(1)
pdf

27

Phase transition of a disordered Nuage protein generates environmentally responsive membraneless organelles
Nott TJ, Petsalaki E, Farber P, Jervis D, Fussner E, Plochowietz A, Craggs T, Bazett-Jones DP, Pawson T, Forman-Kay JP, Baldwin AJ
Molecular Cell (2015) 57 936-947
pdf
supp

26

Membrane proteins bind lipids selectively to modulate their structure and function
Laganowsky A, Reading E, Allison T, Ulmschneider MB, Degiacomi MT, Baldwin AJ, Robinson CV
Nature (2014), 510 7503, 172-175
link




25

The structured core domain of αB-crystallin can prevent amyloid fibrillation and associated toxicity
Hochberg GKA, Ecroyd H, Liu C, Cox D, Csciod D, Sawaya MR, Colliera MP, Stroud J, Carver JA, Baldwin AJ, Robinson CV, Eisenberg DS, Benesch JLP, Laganowsky A
PNAS (2014) 111, E1562-70
pdf
supp
commentary

24


An exact solution for R2,eff in CPMG experiments in the case of two site chemical exchange
Baldwin AJ
JMR (2014), 244, 114-124
pdf
supp
See Resources for implementation in C and python.

23

An R expression for a spin in chemical exchange between two sites with unequal transverse relaxation rates
Baldwin AJ, Kay LE
J. Biol. NMR (2013), 55:211-218
pdf

22

C-terminal Interactions Mediate the Quaternary Dynamics of αB-crystallin
Hilton GR, Hochberg GKA, Laganowsky A, McGinnigle SI, Baldwin AJ, Benesch JLP
Phil. Trans. R. Soc. B. (2013) 368 20110405
pdf
supp

20

Twisting Transition between Crystalline and Fibrillar Phases of Aggregated Peptides
Knowles TPJ, Simone AD, Fitzpatrick AW, Baldwin AJ, Meehan S, Rajah L, Vendruscolo M, Welland ME, Dobson CM, Terentjev EM
PRL (2012) 109(15) 15101
pdf

18


Probing dynamic conformations of the high molecular weight αB-crystallin heat shock protein ensemble by NMR spectroscopy
Baldwin AJ, Walsh P, Hansen DF, Hilton GR, Benesch JLP, Sharpe S, Kay LE
J. Am. Chem. Soc. (2012) 134(37) 15343-50
pdf
supp

17

Dissecting heterogeneous molecular chaperone complexes using a mass spectrum deconvolution approach
Baldwin AJ*, Stengel F*, Bush MF, Hilton GR, Lioe H, Basha E, Jaya N, Vierling E, Benesch JLP
Chem & Biol. (2012) 19: 599-607
pdf
supp
commentary Slingsby C, Clark AR

16

Measurement of the signs of methyl chemical shift differences between ground and excited protein states by R: an application to αB-crystallin
Baldwin AJ, Kay LE
J. Biol. NMR (2012) 53(1): 1
pdf

15

The morphology of decorated amyloid fibers is controlled by the conformation and position of the displayed protein
Forman CJ, Nickson AA, Anthony-Cahill SJ, Baldwin AJ, Kaggwa G, Feber U, Sheikh K, Jarvis SP, Barker PD
ACS Nano. (2012) 6: 1332-1346
pdf
supp

14

The polydispersity of αB-crystallin is rationalised by an interconverting polyhedral architecture
Baldwin AJ, Lioe H, Hilton GR, Baker LA, Rubinstein JL, Kay LE, Benesch JLP
Structure (2011) 19: 1855-63
pdf
supp

13

Quaternary dynamics of αB-crystallin as a direct consequence of localised tertiary fluctuations in the C-terminus
Baldwin AJ, Hilton GR, Lioe H, Bagnéris C, Benesch JLP, Kay LE
J. Mol. Biol. (2011) 413: 310-20
pdf
supp
commentary Carver JA

12

αB-crystallin polydispersity is a consequence of unbiased quaternary dynamics
Baldwin AJ, Lioe H, Robinson CV, Kay LE, Benesch JLP
J. Mol. Biol. (2011) 413: 297-309
pdf
supp
commentary Carver JA

11


Metastability of native proteins towards amyloid formation
Baldwin AJ, Knowles TPJ, Devlin GL, Shammas SL, Fitzpatrick AW, Waudby C, Mossuto MF, Meehan S, Gras SL, Christodoulou J, Anthony-Cahill SJ, Barker PD, Vendruscolo M, Dobson CM
JACS (2011) 133: 14160-14163
pdf
supp
commentary Thirumalai D, Reddy G, Nature Chemistry

10

Perturbation of the stability of amyloid fibrils through alteration of electrostatic interactions
Shammas S, Knowles TPJ, Baldwin AJ, MacPhee CE, Welland ME, Dobson CM, Devlin GL
Biophysical Journal (2011) 100: 2783-2791
pdf
supp

9


The quaternary organization and dynamics of the molecular chaperone HSP26 are thermally regulated
Benesch JLP, Aquilina JA, Baldwin AJ, Rekas A, Stengel F, Lindner R, Basha E, Devlin G, Horwitz J, Vierling E, Carver JA, Robinson CV
Chem. Biol. (2010) 17: 1008-17
pdf

8


CHD2 methyl group probes ms timescale exchange in proteins by 1H relaxation dispersion: An application to proteosome gating residue dynamics
Baldwin AJ, Religa TLR, Hansen DF, Bouvignies G, Kay LE
JACS (2010) 132: 10992-5
pdf
supp

7

Quaternary dynamics and plasticity underlie small heat shock protein chaperone function
Stengel, F, Baldwin, AJ, Painter AJ, Jaya N, Basha E, Kay LE, Vierling E, Robinson CV, Benesch JLP
Proc. Natl. Acad. Sci. U.S.A. (2010), 107: 2007-12
pdf
supp
commentary, Eyles S, Gierasch LM

5


Measurement of methyl Axis orientations in invisible excited states of proteins by relaxation dispersion NMR spectroscopy
Baldwin AJ, Hansen DF, Vallurupalli P, Kay LE
JACS (2009) 131: 11939-11948
pdf
supp

4


Measurement of amyloid fibril length distribution by inclusion of rotational motion in solution NMR diffusion measurements
Baldwin AJ, Anthony-Cahill SJ, Knowles TPJ, Lippens G, Christodoulou J, Barker PD, Dobson CM
Angewandte Chemie, Int Ed. (2008) 47: 3385-3387
pdf
supp

3

Characterisation of amyloid fibril formation by the small heat-shock protein αB-crystallin and manipulation of the protofilament substructure
Meehan S, Knowles TPJ, Baldwin AJ, Smith J, Squires AM, Clements P, Treweek TM, Ecroyd H, Tartaglia GG, Vendruscolo M, MacPhee CM, Dobson CM, Carver JA
J Mol. Biol. (2007) 372: 470-484
pdf

2

Contribution of rotational diffusion to PFGSE measurements
Baldwin AJ, Christodoulou J, Dobson CM, Lippens G.
J. Chem. Phys. (2007) 127: 114505-8
pdf

1


Cytochrome display on amyloid fibrils
Baldwin AJ, Bader R, Christodoulou J, MacPhee CE, Barker PD, Dobson CM
JACS (2006) 128: 7 2162
pdf
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