On this page you can find out about publications based on research conducted in the Biomolecular NMR facility.


Williamson MP
Drawing single NMR spins and understanding relaxation
Natural Product Communications, 2019, 14, 1-9

Iorgu AI, Baxter NJ, Cliff MJ, Levy C, Waltho JP, Hay S, Scrutton NS
Nonequivalence of second sphere "noncatalytic" residues in pentaerythritol tetranitrate reductase in relation to local dynamics linked to H-transfer in reactions with NADH and NADPH coenzymes
ACS Catal. 2018;8(12):11589-11599

Czarnota S, Johannissen LO, Baxter NJ, Rummel F, Wilson AL, Cliff MJ, Levy CW, Scrutton NS, Waltho JP, Hay S
Equatorial active site compaction and electrostatic reorganization in catechol-O-methyltransferase
ACS Catal. 2019;9(5):4394-4401

Williamson MP
The nuclear Overhauser effect
in Nuclear Magnetic Resonance Spectroscopy, Encyclopedia of Analytical Science, Elsevier, 2019, 3rd Ed (P. Worsfold, C. Poole, A. Townshend and M. Miró, Eds), Vol 7, pp 264-271

Iorgu AI, Cliff MJ, Waltho JP, Scrutton NS, Hay S
Isotopically labeled flavoenzymes and their uses in probing reaction mechanisms
Methods Enzymol. 2019;620:145-166

Smith RE, Salamaga B, Szkuta P, Hajdamowicz N, Prajsnar TK, Bulmer GS, Fontaine T, Kołodziejczyk J, Herry JM, Hounslow AM, Williamson MP, Serror P, Mesnage S
Decoration of the enterococcal polysaccharide antigen EPA is essential for virulence, cell surface charge and interaction with effectors of the innate immune system
PLoS Pathog. 2019;15(5):e1007730

Fairbanks SD, Robertson CC, Keene FR, Thomas JA, Williamson MP
Structural investigation into the threading intercalation of a chiral dinuclear ruthenium(II) polypyridyl complex through a B-DNA oligonucleotide
J Am Chem Soc. 2019;141(11):4644-4652

Williamson MP, Kitahara R
Characterization of low-lying excited states of proteins by high-pressure NMR
Biochim Biophys Acta Proteins Proteom. 2019;1867(3):350-358


Pandya MJ, Schiffers S, Hounslow AM, Baxter NJ, Williamson MP
Why the energy landscape of barnase is hierarchical
Front Mol Biosci. 2018;5:115

Southam HM, Smith TW, Lyon RL, Liao C, Trevitt CR, Middlemiss LA, Cox FL, Chapman JA, El-Khamisy SF, Hippler M, Williamson MP, Henderson PJF, Poole RK
A thiol-reactive Ru(II) ion, not CO release, underlies the potent antimicrobial and cytotoxic properties of CO-releasing molecule-3
Redox Biol. 2018;18:114-123

Bennet IA, Finger LD, Baxter NJ, Ambrose B, Hounslow AM, Thompson MJ, Exell JC, Shahari NNBM, Craggs TD, Waltho JP, Grasby JA
Regional conformational flexibility couples substrate specificity and scissile phosphate diester selectivity in human flap endonuclease 1
Nucleic Acids Res. 2018;46(11):5618-5633

Wang Q, He Y, Lu R, Wang WM, Yang KW, Fan HM, Jin Y, Blackburn GM
Thermokinetic profile of NDM-1 and its inhibition by small carboxylic acids
Biosci Rep. 2018;38(2). pii: BSR20180244

Iorgu AI, Baxter NJ, Cliff MJ, Waltho JP, Hay S, Scrutton NS
1H, 15N and 13C backbone resonance assignments of pentaerythritol tetranitrate reductase from Enterobacter cloacae PB2
Biomol NMR Assign. 2018;12(1):79-83


Kudhair BK, Hounslow AM, Rolfe MD, Crack JC, Hunt DM, Buxton RS, Smith LJ, Le Brun NE, Williamson MP, Green J
Structure of a Wbl protein and implications for NO sensing by M. tuberculosis
Nat Commun. 2017;8(1):2280

Baxter NJ, Zacharchenko T, Barsukov IL, Williamson MP
Pressure-dependent chemical shifts in the R3 domain of talin show that it is thermodynamically poised for binding to either vinculin or RIAM
Structure. 2017;25(12):1856-1866

Heyam A, Coupland CE, Dégut C, Haley RA, Baxter NJ, Jakob L, Aguiar PM, Meister G, Williamson MP, Lagos D, Plevin MJ
Conserved asymmetry underpins homodimerization of Dicer-associated double-stranded RNA-binding proteins
Nucleic Acids Res. 2017;45(21):12577-12584

Serimbetov Z, Baxter NJ, Cliff MJ, Waltho JP
1H, 15N, 13C backbone resonance assignments of human phosphoglycerate kinase in a transition state analogue complex with ADP, 3-phosphoglycerate and magnesium trifluoride
Biomol NMR Assign. 2017;11(2):251-256

Williamson MP
The transferred NOE
in Modern Magnetic Resonance (Webb GA, Ed), Springer, 2017, DOI 10.1007/978-3-319-28275-6_76-1

Williamson MP
Chemical shift perturbation
in Modern Magnetic Resonance (Webb GA, Ed), Springer, 2017, DOI 10.1007/978-3-319-28275-6_76-1

Golovin AV, Smirnov IV, Stepanova AV, Zalevskiy AO, Zlobin AS, Ponomarenko NA, Belogurov AA, Knorre VD, Hurs EN, Chatziefthimiou SD, Wilmanns M, Blackburn GM, Khomutov RM, Gabibov AG
Evolution of catalytic centers of antibodies by virtual screening of broad repertoire of mutants using supercomputer
Dokl Biochem Biophys. 2017;475(1):245-249

Blanchet P, Bebin M, Bruet S, Cooper GM, Thompson ML, Duban-Bedu B, Gerard B, Piton A, Suckno S, Deshpande C, Clowes V, Vogt J, Turnpenny P, Williamson MP, Alembik Y; Clinical Sequencing Exploratory Research Study Consortium; Deciphering Developmental Disorders Consortium, Glasgow E, McNeill A
MYT1L mutations cause intellectual disability and variable obesity by dysregulating gene expression and development of the neuroendocrine hypothalamus
PLoS Genet. 2017;13(8):e1006957

Jin Y, Molt RW Jr, Pellegrini E, Cliff MJ, Bowler MW, Richards NGJ, Blackburn GM, Waltho JP
Assessing the influence of mutation on GTPase transition dtates by using X-ray crystallography, 19F NMR, and DFT approaches
Angew Chem Int Ed Engl. 2017;56(33):9732-9735.

Eaton JD, Williamson MP
Multisite binding of epigallocatechin gallate to human serum albumin measured by NMR and isothermal calorimetry
Bioscience Reports, 2017, 37, BSR20170209

Jin Y, Molt RW Jr, Blackburn GM
Metal fluorides: Tools for structural and computational analysis of phosphoryl transfer enzymes
Top Curr Chem. 2017 375:36

Czarnota S, Baxter NJ, Cliff MJ, Waltho JP, Scrutton NS, Hay S
1H, 15N, 13C backbone resonance assignments of human soluble catechol O-methyltransferase in complex with S-adenosyl-L-methionine and 3,5-dinitrocatechol
Biomol NMR Assign. 2017 11:57-61

Jin Y, Richards NG, Waltho JP, Blackburn GM
Metal fluorides as analogues for studies on phosphoryl transfer enzymes
Angew Chem Int Ed Engl. 2017 56:4110-4128


Bye JW, Maxter NJ, Falconer RJ, Williamson MP
A molecular mechanism for the Hofmeister effect derived from NMR and DSC measurements on barnase
ACS Omega 2016 1:669-679

Yasid NA, Rolfe MD, Green J, Williamson MP
Homeostasis of metabolites in Escherichia coli on transition from anaerobic to aerobic conditions and the transient secretion of pyruvate.
R Soc Open Sci. 2016 3:160187

Smirnov IV, Golovin AV, Chatziefthimiou SD, Stepanova AV, Peng Y, Zolotareva OI, Belogurov AA Jr, Kurkova IN, Ponomarenko NA, Wilmanns M, Blackburn GM, Gabibov AG, Lerner RA
Robotic QM/MM-driven maturation of antibody combining sites
Sci Adv. 2016 2:e1501695

Blackburn GM, Hägele G, Hottgenroth A, Ivory AJ, Jakeman DL, Spiske R
Automated lineshape analysis of complex NMR spectra for a novel synthetic tetrafluorobisphosphonate, a potential ligand for phosphoglycerate kinase
Phosphorus, Sulfur and Silicon 2016 191:367-372

Rawlings AE, Bramble JP, Hounslow AM, Williamson MP, Monnington AE, Cooke DJ, Staniland SS
Ferrous iron binding key to Mms6 magnetite biomineralisation: A mechanistic study to understand magnetite formation using pH titration and NMR spectroscopy
Chemistry 2016 22:7885-94

Hollingshead S, Kopečná J, Armstrong DR, Bučinská L, Jackson PJ, Chen GE, Dickman MJ, Williamson MP, Sobotka R, Hunter CN
Synthesis of chlorophyll-binding proteins in a fully segregated Δycf54 strain of the cyanobacterium Synechocystis PCC 6803
Frontiers Plant Science 2016 7:292

Jin Y, Molt RW Jr, Waltho JP, Richards NG, Blackburn GM
19F NMR and DFT analysis reveal structural and electronic transition state features for RhoA-catalyzed GTP hydrolysis
Angew Chem Int Ed Engl. 2016 55:3318-22

Xu Y, Streets AJ, Hounslow AM, Tran U, Jean-Alphonse F, Needham AJ, Vilardaga JP, Wessely O, Williamson MP, Ong ACM
The Polycystin-1, Lipoxygenase, and α-Toxin domain regulates polycystin-1 trafficking
J Am Soc Nephrol 2016 27:1159-73

Dennison AJ, Jones RA, Staniforth RA, Parnell AJ
Interaction of partially denatured insulin with a DSPC floating lipid bilayer
Soft Matter 2016 12(3):824-829


Craven CJ
Evaluation of predictions of the stochastic model of organelle production based on exact distributions
Elife 2015 Dec:e10167

Terekhov S, Smirnov I, Bobik T, Shamborant O, Zenkova M, Chernolovskaya E, Gladkikh D, Murashev A, Dyachenko I, Palikov V, Palikova Y, Knorre V, Belogurov A Jr, Ponomarenko N, Blackburn GM, Masson P, Gabibov A
A novel expression cassette delivers efficient production of exclusively tetrameric human butyrylcholinesterase with improved pharmacokinetics for protection against organophosphate poisoning
Biochimie 2015 118:51-59

Davis PJ, Holmes D, Waltho JP, Staniforth RA
Limited proteolysis reveals that amyloids from the 3D domain-swapping cystatin B have a non-native β-sheet topology
J Mol Biol. 2015 427(15):2418-2434

Williamson MP
Pressure-dependent conformation and fluctuation in folded protein molecules
In High Pressure Bioscience – Basic Concepts, Applications and Frontiers (Ed. K. Akasaka and H. Matsuki), 2015, Springer, Ch. 6, pp 109-127.

Xu Y, Ong ACM, Williamson MP and Hounslow AM
Backbone assignment and secondary structure of the PLAT domain of human polycystin-1
Biomolecular NMR Assignments 2015 9:369-373

Asakura T, Okushita K and Williamson MP
Analysis of the structure of Bombyx mori silk fibroin by NMR
Macromolecules 2015 48:2345-2357

Asakura T, Ohata T, Kametani S, Okushita K, Yazawa K, Nishiyama Y, Nishimura K, Aoki A, Suzuki F, Kaji H, Ulrich AS, Williamson MP
Inter-molecular packing in B. mori silk fibroin: multinuclear NMR study of the model peptide (Ala-Gly)15 defines a heterogeneous antiparallel antipolar mode of assembly in the Silk II form
Macromolecules 2015 48:28-36

Volk M, Milanesi L, Waltho JP, Hunter CA, Beddard GS
The roughness of the protein energy landscape results in anomalous diffusion of the polypeptide backbone
Phys Chem Chem Phys. 2015 17(2):762-82


Jin Y, Bhattasali D, Pellegrini E, Forget SM, Baxter NJ, Cliff MJ, Bowler MW, Jakeman DL, Blackburn GM, Waltho JP
α-Fluorophosphonates reveal how a phosphomutase conserves transition state conformation over hexose recognition in its two-step reaction
Proc Natl Acad Sci USA 2014 111(34):12384-12389

Trevitt CR, Hosszu LL, Batchelor M, Panico S, Terry C, Nicoll AJ, Risse E, Taylor WA, Sandberg MK, Al-Doujaily H, Linehan JM, Saibil HR, Scott DJ, Collinge J, Waltho JP, Clarke AR
N-terminal domain of prion protein directs its oligomeric association
J Biol Chem 2014 289(37):25497-25508

Okushita K, Asano A, Williamson MP, Asakura T
Local structure and dynamics of serine in the heterogeneous structure of the crystalline domain of Bombyx mori silk fibroin in Silk II form studied by 2D 13C–13C homonuclear correlation NMR and relaxation time observation
Macromolecules 2014 47:4308–4316

Krishnan R, Tsubery H, Proschitsky MY, Asp E, Lulu M, Gilead S, Gartner M, Waltho JP, Davis PJ, Hounslow AM, Kirschner DA, Inouye H, Myszka DG, Wright J, Solomon B, Fisher RA
A bacteriophage capsid protein provides a general amyloid interaction motif (GAIM) that binds and remodels misfolded protein assemblies
J Mol Biol. 2014 426(13):2500-19

Mesnage S, Dellarole M, Baxter NJ, Rouget JB, Dimitrov JD, Wang N, Fujimoto Y, Hounslow AM, Lacroix-Desmazes S, Fukase K, Foster SJ, Williamson MP
Molecular basis for bacterial peptidoglycan recognition by LysM domains
Nat Commun. 2014 5:4269

Krishnan R, Tsubery H, Proschitsky MY, Asp E, Lulu M, Gilead S, Gartner M, Waltho JP, Davis PJ, Hounslow AM, Kirschner DA, Inouye H, Myszka DG, Wright J, Solomon B, Fisher RA
A bacteriophage capsid protein provides a general amyloid interaction motif (GAIM) that binds and remodels misfolded protein assemblies
J Mol Biol. 2014 426:2500-19

Kitazawa S, Kameda T, Kumo A, Yagi-Utsumi M, Baxter NJ, Kato K, Williamson MP, Kitahara R
Close identity between alternatively folded state N2 of ubiquitin and the conformation of the protein bound to the ubiquitin-activating enzyme
Biochemistry 2014 53:447-449


Wilson T, Costa PJ, Félix V, Williamson MP, Thomas JA
Structural studies on dinuclear ruthenium(II) complexes that bind diastereoselectively to an antiparallel folded human telomere sequence
J Med Chem 2013 56:8674-83

Williamson MP, Hounslow AM, Ford J, Fowler K, Hebditch M, Hansen PE
Detection of salt bridges to lysines in solution in barnase
Chem Commun. 2013 49:9824-9826

Taler-Vercic A, Kirsipuu T, Friedemann M, Noormägi A, Polajnar M, Smirnova J, Znidaric MT, Zganec M, Skarabot M, Vilfan A, Staniforth RA, Palumaa P, Zerovnik E
The role of initial oligomers in amyloid fibril formation by human stefin B
Int J Mol Sci. 2013 14:18362-84

Williamson MP
Using chemical shift perturbation to characterise ligand binding
Progr. Magn. Reson. Spectrosc. 2013 73:1-16

Moody RG, Williamson MP
Structure and function of a bacterial Fasciclin I Domain Protein elucidates function of related cell adhesion proteins such as TGFBIp and periostin
FEBS Open Bio 2013 3:71-77

Caballero-Lima D, Kaneva IN, Watton SP, Sudbery PE, Craven CJ
The spatial distribution of the exocyst and actin cortical patches is sufficient to organize hyphal tip growth
Eukaryot Cell. 2013 12:998-1008

Salmon RC, Cliff MJ, Rafferty JB, Kelly DJ
The CouPSTU and TarPQM transporters in Rhodopseudomonas palustris: redundant, promiscuous uptake systems for lignin-derived aromatic substrates
PLoS One. 2013 8:e59844

Kitahara R, Hata K, Li H, Williamson MP, Akasaka K
Pressure-induced chemical shifts as probes for conformational fluctuations in proteins
Prog Nucl Magn Reson Spectrosc. 2013 71:35-58

Kitazawa S, Kameda T, Yagi-Utsumi M, Sugase K, Baxter NJ, Kato K, Williamson MP, Kitahara R
Solution structure of the Q41N variant of ubiquitin as a model for the alternatively folded N2 state of ubiquitin
Biochemistry. 2013 52:1874-85

Pudney CR, Guerriero A, Baxter NJ, Johannissen LO, Waltho JP, Hay S, Scrutton NS
Fast protein motions are coupled to enzyme H-transfer reactions
J Am Chem Soc. 2013 135:2512-7

Ilyushin DG, Smirnov IV, Belogurov AA Jr, Dyachenko IA, Zharmukhamedova TIu, Novozhilova TI, Bychikhin EA, Serebryakova MV, Kharybin ON, Murashev AN, Anikienko KA, Nikolaev EN, Ponomarenko NA, Genkin DD, Blackburn GM, Masson P, Gabibov AG
Chemical polysialylation of human recombinant butyrylcholinesterase delivers a long-acting bioscavenger for nerve agents in vivo
Proc Natl Acad Sci U S A. 2013 110:1243-8


Blackburn GM, Bowler MW, Jin Y, Waltho JP
Reflections on biocatalysis involving phosphorus
Biochemistry (Mosc). 2012 77:1083-96.

Milanesi L, Waltho JP, Hunter CA, Shaw DJ, Beddard GS, Reid GD, Dev S, Volk M
Measurement of energy landscape roughness of folded and unfolded proteins
Proc Natl Acad Sci U S A. 2012 109:19563-8

Jin Y, Cliff MJ, Baxter NJ, Dannatt HR, Hounslow AM, Bowler MW, Blackburn GM, Waltho JP
Charge-balanced metal fluoride complexes for protein kinase A with adenosine diphosphate and substrate peptide SP20
Angew Chem Int Ed Engl. 2012 51:12242-5

Paramore R, Morgan GJ, Davis PJ, Sharma CA, Hounslow A, Taler-Vercic A, Zerovnik E, Waltho JP, Cliff MJ, Staniforth RA
Mapping local structural perturbations in the native state of stefin B (cystatin B) under amyloid forming conditions
Front Mol Neurosci. 2012 5:94.

Williamson MP, Potts JR
Intrinsically disordered proteins: administration not executive
Biochem Soc Trans. 2012 40:945-9

Griffin JL, Bowler MW, Baxter NJ, Leigh KN, Dannatt HR, Hounslow AM, Blackburn GM, Webster CE, Cliff MJ, Waltho JP
Near attack conformers dominate beta-phosphoglucomutase complexes where geometry and charge distribution reflect those of substrate
Proc Natl Acad Sci U S A. 2012 109:6910-5

Asakura T, Okonogi M, Horiguchi K, Aoki A, Saitô H, Knight DP, Williamson MP
Two different packing arrangements of antiparallel polyalanine
Angewandte Chemie Int Ed 2012 51:1212-1215

Tomlinson JH, Williamson MP
Amide temperature coefficients in the protein G B1 domain
J Biomol NMR 2012 52:57-64


Trotter EW, Rolfe MD, Hounslow AM, Craven CJ, Williamson MP, Sanguinetti G, Poole RK, Green J
Reprogramming of Escherichia coli K-12 metabolism during the initial phase of transition from an anaerobic to a micro-aerobic environment
PLoS One 2011 6:e25501

Zeng Z, Luo P, Jiang Y, Liu Y, Tang G, Xu P, Zhao Y, Blackburn GM
Chiral phosphoproline-catalyzed asymmetric Michael addition of ketones to nitroolefins: an experimental and theoretical study
Org Biomol Chem 2011 9:6973-6978

Milanesi L, Hunter CA, Tzokova N, Waltho JP, Tomas S
Versatile low-molecular-weight hydrogelators: achieving multiresponsiveness through a modular design
Chemistry 2011 22:9753-9761

Bingle CD, Seal RL, Craven CJ
Systematic nomenclature for the PLUNC/PSP/BSP30/SMGB proteins as a subfamily of the BPI fold-containing superfamily
Biochem Soc Trans 2011 39:977-983

Bingle CD, Bingle L, Craven CJ
Distant cousins: genomic and sequence diversity within the BPI fold-containing (BPIF)/PLUNC protein family
Biochem Soc Trans 2011 39:961-965

Jelinska C, Davis PJ, Kenig M, Zerovnik E, Kokalj SJ, Guncar G, Turk D, Turk V, Clarke DT, Waltho JP, Staniforth RA
Modulation of contact order effects in the two-state folding of stefins A and B
Biophys J 2011 100:2268-2274

Zerovnik E, Stoka V, Mirtic A, Guncar G, Grdadolnik J, Staniforth RA, Turk D, Turk V
Mechanisms of amyloid fibril formation--focus on domain-swapping
FEBS J 2011 278:2263-2282

Kale A, Phansopa C, Suwannachart C, Craven CJ, Rafferty JB, Kelly DJ
The virulence factor PEB4 (Cj0596) and the periplasmic protein Cj1289 are two structurally related SurA-like chaperones in the human pathogen Campylobacter jejuni
J Biol Chem 2011 286:21254-21265

Ullah S, Ishimoto T, Williamson MP, Hansen PE
Ab initio calculations of deuterium isotope effects on chemical shifts of salt-bridged lysines
J Phys Chem B. 2011 115:3208-3215

Xiaoxia L, Marston JP, Baxter NJ, Hounslow AM, Yufen Z, Blackburn GM, Cliff MJ, Waltho JP
Prioritization of charge over geometry in transition state analogues of a dual specificity protein kinase
J Am Chem Soc 2011 133:3989-94

Chiang SC, Veldhuizen EJ, Barnes FA, Craven CJ, Haagsman HP, Bingle CD
Identification and characterisation of the BPI/LBP/PLUNC-like gene repertoire in chickens reveals the absence of a LBP gene
Dev Comp Immunol 2011 35:285-95

Ratcliffe EC, Tunnicliffe RB, Ng IW, Adams PG, Qian P, Holden-Dye K, Jones MR, Williamson MP, Hunter CN
Experimental evidence that the membrane-spanning helix of PufX adopts a bent conformation that facilitates dimerisation of the Rhodobacter sphaeroides RC-LH1 complex through N-terminal interactions
Biochim Biophys Acta 2011 1807:95-107


Nicoll AJ, Trevitt CR, Tattum MH, Risse E, Quarterman E, Ibarra AA, Wright C, Jackson GS, Sessions RB, Farrow M, Waltho JP, Clarke AR, Collinge J
Pharmacological chaperone for the structured domain of human prion protein
Proc Natl Acad Sci USA 2010 107:17610-5

Hosszu LL, Tattum MH, Jones S, Trevitt CR, Wells MA, Waltho JP, Collinge J, Jackson GS, Clarke AR
The H187R mutation of the human prion protein induces conversion of recombinant prion protein to the PrPSc-like form
Biochemistry 2010 49:8729-38

Zerovnik E, Staniforth RA, Turk D
Amyloid fibril formation by human stefins: Structure, mechanism and putative functions
Biochimie 2010 92:1597-1607

Tomlinson JH, Green VL, Baker PJ, Williamson MP
Structural origins of pH-dependent chemical shifts in the B1 domain of protein G
Proteins 2010 78:3000-16

Williamson MP, Sutcliffe MJ
Protein-protein interactions
Biochem Soc Trans 2010 38:875-8

Marston FY, Grainger WH, Smits WK, Hopcroft NH, Green M, Hounslow AM, Grossman AD, Craven CJ, Soultanas P
When simple sequence comparison fails: the cryptic case of the shared domains of the bacterial replication initiation proteins DnaB and DnaD
Nucleic Acids Res 2010 38:6930-42

Correia MA, Abbott DW, Gloster TM, Fernandes VO, Prates JA, Montanier C, Dumon C, Williamson MP, Tunnicliffe RB, Liu Z, Flint JE, Davies GJ, Henrissat B, Coutinho PM, Fontes CM, Gilbert HJ
Signature active site architectures illuminate the molecular basis for ligand specificity in family 35 carbohydrate binding module
Biochemistry 2010 49:6193-205

Wilson T, Williamson MP, Thomas JA
Differentiating quadruplexes: binding preferences of a luminescent dinuclear ruthenium(II) complex with four-stranded DNA structures
Org Biomol Chem 2010 8:2617-21

Cliff MJ, Bowler MW, Varga A, Marston JP, Szabo J, Hounslow AM, Baxter NJ, Blackburn GM, Vas M, Waltho JP
Transition state analogue structures of human phosphoglycerate kinase establish the importance of charge balance in catalysis
J Am Chem Soc 2010 132:6507-16

Giamarchi A, Feng S, Rodat-Despoix L, Xu Y, Bubenshchikova E, Newby LJ, Hao J, Gaudioso C, Crest M, Lupas AN, Honoré, Williamson MP, Obara T, Ong AC, Delmas P
A polycystin-2 dimerization domain essential for the function of heteromeric polycystin complexes
EMBO J. 2010 29:1176-1191

Baxter NJ, Bowler MW, Alizadeh T, Cliff MJ, Hounslow AM, Wu B, Berkowitz DB, Williams NH, Blackburn GM, Waltho JP
Atomic details of near-transition state conformers for enzyme phosphoryl transfer revealed by MgF3- rather than by phosphoranes
Proc Natl Acad Sci U S A 2010 107:4555-4560

Waywell P, Gonzalez V, Gill MR, Adams H, Meijer AJHM, Williamson MP, Thomas JA
Structure of the complex of [Ru(tpm)(dppz)py]2+ with a B-DNA oligonucleotide - a single-residue binding switch for a metallo-intercalator
Chem Eur J 2010 16:2407-2417

Tomlinson JH, Craven CJ, Williamson MP, Pandya MJ
Dimerization of protein G B1 domain at low pH: a conformational switch caused by loss of a single hydrogen bond
Proteins: Struct Funct Bioinf 2010 78:1652-1661

Marston JP, Cliff MJ, Reed MA, Blackburn GM, Hounslow AM, Craven CJ, Waltho JP
Structural tightening and interdomain communication in the catalytic cycle of phosphoglycerate kinase
J Mol Biol 2010 396:345-360

Long J, Garner TP, Pandya MJ, Craven CJ, Chen P, Shaw B, Williamson MP, Layfield R, Searle MS
Dimerisation of the UBA domain of p62 inhibits ubiquitin binding and regulates NF-kappaB signalling
J Mol Biol 2010 396:178-194

Waywell P, Thomas JA, Williamson MP
Structural analysis of the binding of the diquaternary pyridophenazine derivative dqdppn to B-DNA oligonucleotides
Org Biomol Chem 2010 8:648-654


Baxter NJ, Hounslow AM, Bowler MW, Williams NH, Blackburn GM, Waltho JP
MgF3- and alpha-galactose 1-phosphate in the active site of beta-phosphoglucomutase form a transition state analogue of phosphoryl transfer
J Am Chem Soc. 2009 131:16334-5

Smart JP, Cliff MJ, Kelly DJ
A role for tungsten in the biology of Campylobacter jejuni: tungstate stimulates formate dehydrogenase activity and is transported via an ultra-high affinity ABC system distinct from the molybdate transporter
Mol Microbiol. 2009 74:742-57

Wilton DJ, Kitahara R, Akasaka K, Pandya MJ, Williamson MP
Pressure-dependent structure changes in barnase on ligand binding reveal intermediate rate fluctuations
Biophys J. 2009 97:1482-90

Suzuki Y, Takahashi R, Shimizu T, Tansho M, Yamauchi K, Williamson MP, Asakura T
Intra- and intermolecular effects on 1H chemical shifts in a silk model peptide determined by high-field solid state 1H NMR and empirical calculations
J Phys Chem B. 2009 113:9756-61

Menon BR, Waltho JP, Scrutton NS, Heyes DJ
Cryogenic and laser photoexcitation studies identify multiple roles for active site residues in the light-driven enzyme protochlorophyllide oxidoreductase
J Biol Chem. 2009 284:18160-6

Hosszu LL, Trevitt CR, Jones S, Batchelor M, Scott DJ, Jackson GS, Collinge J, Waltho JP, Clarke AR
Conformational properties of beta-PrP
J Biol Chem. 2009 284:21981-90

Hart T, Hosszu LL, Trevitt CR, Jackson GS, Waltho JP, Collinge J, Clarke AR
Folding kinetics of the human prion protein probed by temperature jump
Proc Natl Acad Sci U S A. 2009 106:5651-6

Wilton DJ, Kitahara R, Akasaka K, Williamson MP
Pressure-dependent 13C chemical shifts in proteins: origins and applications
J Biomol NMR. 2009 44:25-33

Tomlinson JH, Ullah S, Hansen PE, Williamson MP
Characterisation of salt bridges to lysines in the Protein G B1 domain
J Am Chem Soc 2009 131:4674-4684

Guranowski A, Starzynska E, Pietrowska-Borek M, Rejman D, Blackburn GM
Novel diadenosine polyphosphate analogs with oxymethylene bridges replacing oxygen in the polyphosphate chain: potential substrates and/or inhibitors of Ap4A hydrolases
FEBS J. 2009 276:1546-53

Nakazawa Y, Suzuki Y, Williamson MP, Saito H, Asakura T
The interaction of amyloid Abeta(1-40) with lipid bilayers and ganglioside as studied by 31P solid-state NMR
Chem Phys Lipids 2009 158:54-60

Williamson MP, Craven CJ
Automated protein structure calculation from NMR data
J Biomol NMR. 2009 43:131-143

Golicnik M, Olguin LF, Feng G, Baxter NJ, Waltho JP, Williams NH, Hollfelder F
Kinetic analysis of beta-phosphoglucomutase and its inhibition by magnesium fluoride
J Am Chem Soc. 2009 131:1575-88

Skerget K, Vilfan A, Pompe-Novak M, Turk V, Waltho JP, Turk D, Zerovnik E
The mechanism of amyloid-fibril formation by stefin B: temperature and protein concentration dependence of the rates
Proteins. 2009 74:425-36

Cliff MJ, Craven CJ, Marston JP, Hounslow AM, Clarke AR, Waltho JP
The denatured state of N-PGK is compact and predominantly disordered
J Mol Biol. 2009 385:266-77

Nyon MP, Rice DW, Berrisford JM, Hounslow AM, Moir AJ, Huang H, Nathan S, Mahadi NM, Bakar FD, Craven CJ
Catalysis by Glomerella cingulata cutinase requires conformational cycling between the active and inactive states of its catalytic triad
J Mol Biol. 2009 385:226-35

Cioffi M, Hunter CA, Packer MJ, Pandya MJ, Williamson MP
Use of quantitative 1H NMR chemical shift changes for ligand docking into barnase
J Biomol NMR. 2009 43:11-9


Milanesi L, Jelinska C, Hunter CA, Hounslow AM, Staniforth RA, Waltho JP
A method for the reversible trapping of proteins in non-native conformations
Biochemistry. 2008 47:13620-34

Milanesi L, Tomas S, Hunter CA, Weinstein JA, Edge R, Navaratnam S, Waltho JP, Best J
A pulse-radiolysis approach to fast reductive cleavage of a disulfide bond to uncage enzyme activity
Free Radic Biol Med. 2008 45:1271-8

Guranowski A, Wojdyla AM, Pietrowska-Borek M, Bieganowski P, Khurs EN, Cliff MJ, Blackburn GM, Blaziak D, Stec WJ
Fhit proteins can also recognize substrates other than dinucleoside polyphosphates
FEBS Lett. 2008 582:3152-8

Hounslow AM, Carran J, Brown RJ, Rejman D, Blackburn GM, Watts DJ
Determination of the microscopic equilibrium dissociation constants for risedronate and its analogues reveals two distinct roles for the nitrogen atom in nitrogen-containing bisphosphonate drugs
J Med Chem. 2008 51:4170-8

Wilton DJ, Ghosh M, Chary KV, Akasaka K, Williamson MP
Structural change in a B-DNA helix with hydrostatic pressure
Nucleic Acids Res. 2008 36:4032-7

Nyon MP, Rice DW, Berrisford JM, Huang H, Moir AJ, Craven CJ, Nathan S, Mahadi NM, Abu Bakar FD
Crystallization and preliminary X-ray analysis of recombinant Glomerella cingulata cutinase
Acta Crystallogr Sect F Struct Biol Cryst Commun. 2008 64:504-8

Bocian W, Kawecki R, Bednarek E, Sitkowski J, Williamson MP, Hansen PE, Kozerski L
Binding of topotecan to a nicked DNA oligomer in solution
Chemistry a European Journal 2008 14:2788-94

Wilton DJ, Tunnicliffe RB, Kamatari YO, Akasaka K, Williamson MP
Pressure-induced changes in the solution structure of the GB1 domain of protein G
Proteins 2008 71:1432-40

Baxter NJ, Blackburn GM, Marston JP, Hounslow AM, Cliff MJ, Bermel W, Williams NH, Hollfelder F, Wemmer DE, Waltho JP
Anionic charge is prioritized over geometry in aluminum and magnesium fluoride transition state analogs of phosphoryl transfer enzymes
J Am Chem Soc. 2008 130:3952-8>

Morgan GJ, Giannini S, Hounslow AM, Craven CJ, Zerovnik E, Turk V, Waltho JP, Staniforth RA
Exclusion of the native alpha-helix from the amyloid fibrils of a mixed alpha/beta protein
J Mol Biol. 2008 375:487-98


Nagy T, Tunnicliffe RB, Higgins LD, Walters C, Gilbert HJ, Williamson MP
Characterization of a double dockerin from the cellulosome of the anaerobic fungus Piromyces equi
J Mol Biol. 2007 373:612-22

Zerovnik E, Skarabot M, Skerget K, Giannini S, Stoka V, Jenko-Kokalj S, Staniforth RA
Amyloid fibril formation by human stefin B: influence of pH and TFE on fibril growth and morphology
Amyloid 2007 14:237-47

Cicortas Gunnarsson L, Montanier C, Tunnicliffe RB, Williamson MP, Gilbert HJ, Nordberg Karlsson E, Ohlin M
Novel xylan-binding properties of an engineered family 4 carbohydrate-binding module
Biochem J. 2007 406:209-14

Tintaru AM, Hautbergue GM, Hounslow AM, Hung ML, Lian LY, Craven CJ, Wilson SA
Structural and functional analysis of RNA and TAP binding to SF2/ASF
EMBO Rep. 2007 8:756-62

Tintaru AM, Hautbergue GM, Hounslow AM, Lian LY, Wilson SA, Craven CJ
Assignment of 1H, 13C, and 15N resonances for SF2 RNA recognition motif 2
J Biomol NMR. 2007 38:193

Shoemark DK, Cliff MJ, Sessions RB, Clarke AR
Enzymatic properties of the lactate dehydrogenase enzyme from Plasmodium falciparum
FEBS J. 2007 274:2738-48

Jenko Kokalj S, Guncar G, Stern I, Morgan G, Rabzelj S, Kenig M, Staniforth RA, Waltho JP, Zerovnik E, Turk D
Essential role of proline isomerization in stefin B tetramer formation
J Mol Biol. 2007 366:1569-79

Moody RG, Phillips-Jones MK, Williamson MP
1H, 13C and 15N assignments for the Rhodobacter sphaeroides fasciclin 1 domain protein (Fdp)
Biomol NMR Assignments 2007 1:11-12


Cliff MJ, Alizadeh T, Jelinska C, Craven CJ, Staniforth RA, Waltho JP
A thiol labelling competition experiment as a probe for sidechain packing in the kinetic folding intermediate of N-PGK
J Mol Biol. 2006 364:810-23

Tunnicliffe RB, Ratcliffe EC, Hunter CN, Williamson MP
The solution structure of the PufX polypeptide from Rhodobacter sphaeroides
FEBS Letts 2006 580:6967-71

Williamson MP, McCormick TG, Nance CL, Shearer WT
Epigallocatechin gallate, the main polyphenol in green tea, binds to the T-cell receptor, CD4: Potential for HIV-1 therapy
J Allergy Clin Immunol. 2006 118:1369-74

Wells MA, Jelinska C, Hosszu LL, Craven CJ, Clarke AR, Collinge J, Waltho JP, Jackson GS
Multiple forms of copper (II) co-ordination occur throughout the disordered N-terminal region of the prion protein at pH 7.4
Biochem J. 2006 400:501-10

Baxter NJ, Olguin LF, Golicnik M, Feng G, Hounslow AM, Bermel W, Blackburn GM, Hollfelder F, Waltho JP, Williams NH
A Trojan horse transition state analogue generated by MgF3- formation in an enzyme active site
Proc Natl Acad Sci U S A. 2006 103:14732-7

Wells MA, Jackson GS, Jones S, Hosszu LL, Craven CJ, Clarke AR, Collinge J, Waltho JP
A reassessment of copper(II) binding in the full-length prion protein
Biochem J. 2006 399:435-44

Williamson MP, Suzuki Y, Bourne NT, Asakura T
Binding of amyloid beta to ganglioside micelles is dependent on histidine 13
Biochem J. 2006 397:483-90

Laguri C, Stenzel RA, Donohue TJ, Phillips-Jones MK, Williamson MP
Activation of the global gene regulator PrrA (RegA) from Rhodobacter sphaeroides
Biochemistry 2006 45:7872-7881

Joebstl E, Howse JR, Fairclough JP, Williamson MP
Noncovalent cross-linking of casein by epigallocatechin gallate characterized by single molecule force microscopy
J Agric Food Chem. 2006 54:4077-4081

Potter CA, Jeong EL, Williamson MP, Henderson PJ, Phillips-Jones MK
Redox-responsive in vitro modulation of the signalling state of the isolated PrrB sensor kinase of Rhodobacter sphaeroides NCIB 8253
FEBS Lett. 2006 580:3206-10

Berrisford JM, Hounslow AM, Akerboom J, Hagen WR, Brouns SJ, van der Oost J, Murray IA, Blackburn GM, Waltho JP, Rice DW, Baker PJ
Evidence supporting a cis-enediol-based mechanism for Pyrococcus furiosus phosphoglucose isomerase
J Mol Biol. 2006 358:1353-66

Williamson MP
The Nuclear Overhauser Effect
Modern Magnetic Resonance (Ed Asakura T, Saito H, Ando I) Vol 1: Chemistry
Kluwer Academic Press 2006 405-408

Williamson MP
The transferred NOE
Modern Magnetic Resonance (Ed Craik D) Vol 2: Medical Uses
Kluwer Academic Press 2006 1339-1344

Leon-Kempis MR, Guccione E, Mulholland F, Williamson MP, Kelly DJ
The Campylobacter jejuni PEB1a adhesin is an aspartate/glutamate-binding protein of an ABC transporter essential for microaerobic growth on dicarboxylic amino acids
Mol Microbiol. 2006 60:1262-75

Cartron ML, Maddocks S, Gillingham P, Craven CJ, Andrews SC
Feo - transport of ferrous iron into bacteria
Biometals 2006 19:143-57

Reed MA, Jelinska C, Syson K, Cliff MJ, Splevins A, Alizadeh T, Hounslow AM, Staniforth RA, Clarke AR, Craven CJ, Waltho JP
The denatured state under native conditions: a non-native-like collapsed state of N-PGK
J Mol Biol. 2006 357:365-72

Kenig M, Jenko-Kokalj S, Tusek-Znidaric M, Pompe-Novak M, Guncar G, Turk D, Waltho JP, Staniforth RA, Avbelj F, Zerovnik E
Folding and amyloid-fibril formation for a series of human stefins' chimeras: any correlation?
Proteins 2006 62:918-27

Baxter NJ, Roetzer A, Liebig HD, Sedelnikova SE, Hounslow AM, Skern T, Waltho JP
Structure and dynamics of coxsackievirus B4 2A proteinase, an enyzme involved in the etiology of heart disease
J Virol. 2006 80:1451-62

Milanesi L, Hunter CA, Sedelnikova SE, Waltho JP
Amplification of bifunctional ligands for calmodulin from a dynamic combinatorial library
Chemistry 2006 12:1081-7


Hosszu LL, Wells MA, Jackson GS, Jones S, Batchelor M, Clarke AR, Craven CJ, Waltho JP, Collinge J
Definable equilibrium states in the folding of human prion protein
Biochemistry 2005 44:16649-57

Tunnicliffe RB, Waby JL, Williams RJ, Williamson MP
An experimental investigation of conformational fluctuations in proteins G and L
Structure 2005 13:1677-84

Joebstl E, Fairclough JP, Davies AP, Williamson MP
Creaming in black tea
J Agric Food Chem 2005 53:7997-8002

Jelinska C, Conroy MJ, Craven CJ, Hounslow AM, Bullough PA, Waltho JP, Taylor GL, White MF
Obligate heterodimerization of the archaeal Alba2 protein with Alba1 provides a mechanism for control of DNA packaging
Structure 2005 13:963-71

Williamson MP
Systems biology: will it work?
Biochem Soc Trans 2005 33:503-6

Flint J, Bolam DN, Nurizzo D, Taylor EJ, Williamson MP, Walters C, Davies GJ, Gilbert HJ
Probing the mechanism of ligand recognition in family 29 carbohydrate binding
J Biol Chem 2005 280:23718-26

Syson K, Thirlway J, Hounslow AM, Soultanas P, Waltho JP
Solution Structure of the Helicase-Interaction Domain of the Primase DnaG A Model for Helicase Activation
Structure 2005 13:609-16

Exley RM, Shaw J, Mowe E, Sun Y-H, West NP, Williamson MP, Botto, M, Smith H, Tang CM
Available carbon source influences the resistance of Neisseria meningitidis against complement
J Exp Med. 2005 201:1637-1645

Zhong Q, Watson MJ, Lazar CS, Hounslow AM, Waltho JP, Gill GN
Determinants of the endosomal localization of sorting nexin 1
Mol Biol Cell 2005 16:2049-57

Tunnicliffe RB, Bolam DN, Pell G, Gilbert HJ, Williamson MP
Structure of a mannan-specific family 35 carbohydrate-binding module: evidence for significant conformational changes upon ligand binding.
J Mol Biol 2005 347:287-96

Trevitt CR, Craven CJ, Milanesi L, Syson K, Mattinen ML, Perkins J, Annila A, Hunter CA, Waltho JP
Enhanced ligand affinity for receptors in which components of the binding site are independently mobile
Chem Biol 2005 12:89-97


Bocian W, Kawecki R, Bednarek E, Sitkowski J, Pietrzyk A, Williamson MP, Hansen PE, Kozerski L
Multiple binding modes of the camptothecin family to DNA oligomers.
Chemistry, a European Journal 2004 10:5776-87

Hosszu LL, Jackson GS, Trevitt CR, Jones S, Batchelor M, Bhelt D, Prodromidou K, Clarke AR, Waltho JP, Collinge J
The residue 129 polymorphism in human prion protein does not confer susceptibility to Creutzfeldt-Jakob disease by altering the structure or global stability of PrPC
J Biol Chem. 2004 279:28515-21

Joebstl E, O'Connell J, Fairclough JP, Williamson MP
Molecular model for astringency produced by polyphenol/protein interactions
Biomacromolecules 2004 5:942-9

Milanesi L, Reid GD, Beddard GS, Hunter CA, Waltho JP
Synthesis and photochemistry of a new class of photocleavable protein cross-linking reagents
Chemistry, a European Journal 2004 10:1705-10

Parker MJ, Aulton-Jones M, Hounslow AM, Craven CJ
A combinatorial selective labeling method for the assignment of backbone amide NMR resonances
J Am Chem Soc 2004 126:5020-1

LeClair EE, Nomellini V, Bahena M, Singleton V, Bingle L, Craven CJ, Bingle CD
Cloning and expression of a mouse member of the PLUNC protein family exclusively expressed in tongue epithelium
Genomics 2004 83:658-6

Bingle CD, LeClair EE, Havard S, Bingle L, Gillingham P, Craven CJ
Phylogenetic and evolutionary analysis of the PLUNC gene family
Protein Sci 2004 13:422-30

Bingle CD, Craven CJ
Meet the relatives: a family of BPI- and LBP-related proteins
Trends Immunol. 2004 25:53-5

Cliff MJ, Higgins LD, Sessions RB, Waltho JP, Clarke AR
Beyond the EX1 limit: probing the structure of high-energy states in protein unfolding
J Mol Biol 2004 336:497-508

Japelj B, Waltho JP, Jerala R
Comparison of backbone dynamics of monomeric and domain-swapped stefin A
Proteins 2004 54:500-12

Sanders A, Jeremy Craven C, Higgins LD, Giannini S, Conroy MJ, Hounslow AM, Waltho JP, Staniforth RA
Cystatin forms a tetramer through structural rearrangement of domain-swapped dimers prior to amyloidogenesis
J Mol Biol 2004 336:165-78

Nakano E, Williamson MP, Williams NH, Powers HJ
Copper-mediated LDL oxidation by homocysteine and related compounds depends largely on copper ligation
Biochim Biophys Acta 2004 1688:33-42


Laguri C, Phillips-Jones MK, Williamson MP
Solution structure and DNA binding of the effector domain from the global regulator PrrA (RegA) from Rhodobacter sphaeroides: insights into DNA binding specificity
Nucleic Acids Res 2003 31:6778-87

Williamson MP
Many residues in cytochrome c populate alternative states under equilibrium conditions
Proteins 2003 53:731-9

Williamson MP, Akasaka K, Refaee M
The solution structure of bovine pancreatic trypsin inhibitor at high pressure
Protein Sci 2003 12:1971-9

Pell G, Williamson MP, Walters C, Du H, Gilbert HJ, Bolam DN
Importance of hydrophobic and polar residues in ligand binding in the family 15 carbohydrate-binding module from Cellvibrio japonicus Xyn10C
Biochemistry 2003 42:9316-23

Bingle CD, Craven CJ
Comparative analysis of the PLUNC (palate, lung and nasal epithelium clone) protein families
Biochem Soc Trans 2003 31:806-9

Reed MA, Hounslow AM, Sze KH, Barsukov IG, Hosszu LL, Clarke AR, Craven CJ, Waltho JP
Effects of domain dissection on the folding and stability of the 43 kDa protein PGK probed by NMR
J Mol Biol 2003 330:1189-201

Bailey S, Sedelnikova SE, Mesa P, Ayora S, Waltho JP, Ashcroft AE, Baron AJ, Alonso JC, Rafferty JB
Structural analysis of Bacillus subtilis SPP1 phage helicase loader protein G39P
J Biol Chem 2003 278:15304-12

Refaee M, Tezuka T, Akasaka K, Williamson MP
Pressure-dependent changes in the solution structure of hen egg-white lysozyme
J Mol Biol 2003 327:857-65

Horsburgh GJ, Atrih A, Williamson MP, Foster SJ
LytG of Bacillus subtilis is a novel peptidoglycan hydrolase: the major active glucosaminidase
Biochemistry 2003 42:257-64

Jakeman DL, Ivory AJ, Blackburn GM, Williamson MP
Orientation of 1,3-bisphosphoglycerate analogs bound to phosphoglycerate kinase
J Biol Chem 2003 278:10957-62


Alcocer MJ, Murtagh GJ, Bailey K, Dumoulin M, Meseguer AS, Parker MJ, Archer DB
The disulphide mapping, folding and characterisation of recombinant Ber e 1, an allergenic protein, and SFA8, two sulphur-rich 2S plant albumins
J Mol Biol 2002 324:165-75

Charlton AJ, Haslam E, Williamson MP
Multiple conformations of the proline-rich protein/epigallocatechin gallate complex determined by time-averaged nuclear Overhauser effects
J Am Chem Soc 2002 124:9899-905

Zerovnik E, Turk V, Waltho JP
Amyloid fibril formation by human stefin B: influence of the initial pH-induced intermediate state
Biochem Soc Trans 2002 30:543-7

Potter CA, Ward A, Laguri C, Williamson MP, Henderson PJ, Phillips-Jones MK
Expression, Purification and Characterisation of Full-length Histidine Protein Kinase RegB from Rhodobacter sphaeroides
J Mol Biol 2002 320:201-13

Abou-Hachem M, Karlsson EN, Simpson PJ, Linse S, Sellers P, Williamson MP, Jamieson SJ, Gilbert HJ, Bolam DN, Holst O
Calcium binding and thermostability of carbohydrate binding module CBM4-2 of Xyn10A from Rhodothermus marinus
Biochemistry 2002 41:5720-9

Simpson PJ, Jamieson SJ, Abou-Hachem M, Karlsson EN, Gilbert HJ, Holst O, Williamson MP
The solution structure of the CBM4-2 carbohydrate binding module from a thermostable Rhodothermus marinus xylanase
Biochemistry 2002 41:5712-9

Bingle CD, Craven CJ
PLUNC: a novel family of candidate host defence proteins expressed in the upper airways and nasopharynx
Hum Mol Genet 2002 11:937-43

Charlton AJ, Baxter NJ, Khan ML, Moir AJ, Haslam E, Davies AP, Williamson MP
Polyphenol/peptide binding and precipitation
J Agric Food Chem 2002 50:1593-601

Jamieson SJ, Williamson MP, Abou-Hachem M, Nordberg KE, Simpson PJ
Virtually complete 1H, 13C and 15N resonance assignments of the second family 4 xylan binding module of Rhodothermus marinus xylanase 10A
J Biomol NMR 2002 22:187-8


Raghothama S, Eberhardt RY, Simpson P, Wigelsworth D, White P, Hazlewood GP, Nagy T, Gilbert HJ, Williamson MP
Characterization of a cellulosome dockerin domain from the anaerobic fungus Piromyces equi
Nat Struct Biol 2001 8:775-8

Staniforth RA, Giannini S, Higgins LD, Conroy MJ, Hounslow AM, Jerala R, Craven CJ, Waltho JP
Three-dimensional domain swapping in the folded and molten-globule states of cystatins, an amyloid-forming structural superfamily
EMBO J 2001 20:4774-81

Xie H, Gilbert HJ, Charnock SJ, Davies GJ, Williamson MP, Simpson PJ, Raghothama S, Fontes CM, Dias FM, Ferreira LM, Bolam DN
Clostridium thermocellum Xyn10B carbohydrate-binding module 22-2: the role of conserved amino acids in ligand binding
Biochemistry 2001 40:9167-76

Thaw P, Baxter NJ, Hounslow AM, Price C, Waltho JP, Craven CJ
Structure of TCTP reveals unexpected relationship with guanine nucleotide-free chaperones
Nat Struct Biol 2001 8:701-4

Jackson GS, Murray I, Hosszu LL, Gibbs N, Waltho JP, Clarke AR, Collinge J
Location and properties of metal-binding sites on the human prion protein
Proc Natl Acad Sci U S A 2001 98:8531-5

Leighton MP, Kelly DJ, Williamson MP, Shaw JG
An NMR and enzyme study of the carbon metabolism of Neisseria meningitidis
Microbiology 2001 147:1473-82

Xie H, Bolam DN, Nagy T, Szabo L, Cooper A, Simpson PJ, Lakey JH, Williamson MP, Gilbert HJ
Role of hydrogen bonding in the interaction between a xylan binding module and xylan
Biochemistry 2001 40:5700-7

Bolam DN, Xie H, White P, Simpson PJ, Hancock SM, Williamson MP, Gilbert HJ
Evidence for synergy between family 2b carbohydrate binding modules in Cellulomonas fimi xylanase 11A
Biochemistry 2001 40:2468-77

Iwadate M, Asakura T, Dubovskii PV, Yamada H, Akasaka K, Williamson MP
Pressure-dependent changes in the structure of the melittin alpha-helix determined by NMR
J Biomol NMR 2001 19:115-24

Kozerski L, Mazurek AP, Kawecki R, Bocian W, Krajewski P, Bednarek E, Sitkowski J, Williamson MP, Moir AJ, Hansen PE
A nicked duplex decamer DNA with a PEG6 tether
Nucleic Acids Res 2001 29:1132-43


Simpson PJ, Hefang X, Bolam DN, Gilbert HJ, Williamson MP
The structural basis for the ligand specificity of Family 2 carbohydrate binding modules
J Biol Chem 2000 275:41137-41142

Iwadate M, Nagao E, Williamson MP, et al.
Structure determination of [Arg8]vasopressin methylenedithioether in dimethylsulfoxide using NMR
Eur J Biochem 2000 267:4504-4510

Staniforth RA, Dean JLE, Zhong Q, et al.
The major transition state in folding need not involve the immobilization of side chains
Proc Natl Acad Sci USA 2000 97:5790-5795

Conroy MJ, Westerhuis WHJ, Parkes-Loach PS, et al.
The solution structure of Rhodobacter sphaeroides LH1 beta reveals two helical domains separated by a more flexible region: Structural consequences for the LH1 complex
J Mol Biol 2000 298:83-94

Raghothama S, Simpson PJ, Szabo L, et al.
Solution structure of the CBM10 cellulose binding module from Pseudomonas xylanase A
Biochemistry 2000 39:978-984

Ponyi T, Szabo L, Nagy T, et al.
Trp22, Trp24, and Tyr8 play a pivotal role in the binding of the family 10 cellulose-binding module from Pseudomonas xylanase A to insoluble ligands
Biochemistry 2000 39:985-991

Kay BK, Williamson MP, Sudol P
The importance of being proline: the interaction of proline-rich motifs in signaling proteins with their cognate domains
FASEB J 2000 14:231-241

Charlton AJ, Davis AL, Jones DP, et al.
The self-association of the black tea polyphenol theaflavin and its complexation with caffeine
J Chem Soc Perkin Trans 2 2000 317-322

Baxter NJ, Thaw P, Higgins LD, et al.
Letter to the Editor: Backbone NMR assignment of the 19 kDa translationally controlled tumor-associated protein p23(fyp) from Schizosaccharomyces pombe
J Biomol NMR 2000 16:83-84

Kikuchi J, Asakura T, Hasuda K, et al.
An advantage for use of isotope labeling and NMR chemical shifts to analyze the structure of four homologous IgG-binding domains of staphylococcal protein A
J Biochem Biophys Meth 2000 42:35-47

Abou Hachem M, Karlsson EN, Bartonek-Roxa E, et al.
Carbohydrate-binding modules from a thermostable Rhodothermus marinus xylanase: cloning, expression and binding studies
Biochem J 2000 345:53-60


Jakeman DL, Bernstein B, Hol W, et al.
Highly potent bisphosphonate ligands for phosphoglycerate kinase and protein binding studies
Phosphorus Sulfur 1999 146:533-536

Gill J, Rixon JE, Bolam DN, et al.
The type II and X cellulose-binding domains of Pseudomonas xylanase A potentiate catalytic activity against complex substrates by a common mechanism
Biochem J 1999 342:473-480

Hosszu LLP, Baxter NJ, Jackson GS, et al.
Structural mobility of the human prion protein probed by backbone hydrogen exchange
Nature Struct Biol 1999 6:740-743

Zerovnik E, Virden R, Jerala R, et al.
Differences in the effects of TFE on the folding pathways of human stefins A and B
Proteins 1999 36:205-216

Simpson PJ, Bolam DN, Cooper A, et al.
A family IIb xylan-binding domain has a similar secondary structure to a homologous family IIa cellulose-binding domain but different ligand specificity
Struct Fold Des 1999 7:853-864

Atrih A, Bacher G, Allmaier G, et al.
Analysis of peptidoglycan structure from vegetative cells of Bacillus subtilis 168 and role of PBP 5 in peptidoglycan maturation
J Bacteriol 1999 181:3956-3966

Ueki M, Ikeo T, Iwadate M, et al.
Solid phase synthesis and biological activities of [Arg(8)]-vasopressin methylenedithioether
Bioorg Med Chem Lett 1999 9:1767-1772

Czaplewski LG, McKeating J, Craven CJ, et al.
Identification of amino acid residues critical for aggregation of human CC chemokines macrophage inflammatory protein (MIP)-1 alpha, MIP-1 beta, and RANTES - Characterization of active disaggregated chemokine variants
J Biol Chem 1999 274:16077-16084

Kikuchi J, Asakura T, Loach PA, et al.
A light-harvesting antenna protein retains its folded conformation in the absence of protein-lipid and protein-pigment interactions
Biopolymers 1999 49:361-372

Jackson GS, Hill SF, Joseph C, et al.
Multiple folding pathways for heterologously expressed human prion protein
BBA-Protein Struct M 1999 1431:1-13

Asakura T, Iwadate M, Demura M, et al.
Structural analysis of silk with C-13 NMR chemical shift contour plots
Int J Biol Macromol 1999 24:167-171

Jackson GS, Hosszu LLP, Power A, et al.
Reversible conversion of monomeric human prion protein between native and fibrilogenic conformations
Science 1999 283:1935-1937

Southall SM, Simpson PJ, Gilbert HJ, et al.
The starch-binding domain from glucoamylase disrupts the structure of starch
FEBS Lett 1999 447:58-60

Iwadate M, Asakura T, Williamson MP
C-alpha and C-beta carbon-13 chemical shifts in proteins from an empirical database
J Biomol NMR 1999 13:199-211

Hurd PJ, Whitmarsh AJ, Baldwin GS, et al.
Mechanism-based inhibition of C5-cytosine DNA methyltransferases by 2-H pyrimidinone
J Mol Biol 1999 286:389-401

Furman B, Krajewski P, Kaluza Z, et al.
Stereochemical model of [2+2]cycloaddition of chlorosulfonyl isocyanate to chiral vinyl ethers
J Chem Soc Perkin Trans 2 1999 217-224

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