MAD10
NWSGC beamline

On-line optical and X-ray spectroscopies with crystallography: an integrated approach for determining metalloprotein structures in functionally well defined states.
M. J. Ellis, S. G. Buffey, M. A. Hough & S. S. Hasnain (2008) Journal of Synchrotron Radiation 15, 433-439

An investigation into the protonation states of the C1 domain of cardiac myosin-binding protein C.
S. J. Fisher, J. R. Helliwell, S. Khurshid, L. Govada, C. Redwood, J. M. Squire & N. E. Chayen (2008) Acta Cryst. D64, 658-664

Structure of a putative acetyltransferase (PA1377) from Pseudomonas aeruginosa.
A. M. Davies, R. Tata, F. X. Chauviac, B. J. Sutton & P. R. Brown (2008) Acta Cryst. F64, 338-342

FutA2 is a ferric binding protein from Synechocystis PCC 6803.
A. Badarau, S. J. Firbank, K. J. Waldron, S. Yanagisawa, N. J. Robinson, M. J. Banfield & C. Dennison (2008) Journal of Biological Chemistry 283, 12520-12527

Structural and functional analysis of slit and heparin binding to immunoglobulin-like domains 1 and 2 of Drosophila Robo.
N. Fukuhara, J. A. Howitt, S. A. Hussain & E. Hohenester (2008) Journal of Biological Chemistry 283, 16226-16234

Structures of the G85R variant of SOD1 in familial amyotrophic lateral sclerosis.
X. Cao, S. V. Antonyuk, S. V. Seetharaman, L. J. Whitson, A. B. Taylor, S. P. Holloway, R. W. Strange, P. A. Doucette, J. S. Valentine, A. Tiwari, L. J. Hayward, S. Padua, J. A. Cohlberg, S. S. Hasnain & P. J. Hart (2008) Journal of Biological Chemistry 283, 16169-16177

Naturally occurring pentacyclic triterpenes as inhibitors of glycogen phosphorylase: synthesis, structure-activity relationships, and X-ray crystallographic studies.
X. Wen, H. Sun, J. Liu, K. Cheng, P. Zhang, L. Zhang, J. Hao, L. Zhang, P. Ni, S. E. Zographos, D. D. Leonidas, K. M. Alexacou, T. Gimisis, J. M. Hayes & N. G. Oikonomakos (2008) Journal of Medicinal Chemistry 51, 3540-3554

Crystal structure of a cellulosomal family 3 carbohydrate esterase from Clostridium thermocellum provides insights into the mechanism of substrate recognition.
M. A. Correia, J. A. Prates, J. Brás, C. M. Fontes, J. A. Newman, R. J. Lewis, H. J. Gilbert & J. E. Flint (2008) Journal of Molecular Biology 379, 64-72

Experimental and computational analyses of the energetic basis for dual recognition of immunity proteins by colicin endonucleases.
A. H. Keeble, L. A. Joachimiak, M. J. Maté, N. Meenan, N. Kirkpatrick, D. Baker & C. Kleanthous (2008) Journal of Molecular Biology 379, 745-749

Structure and function of the arginine repressor-operator complex from Bacillus subtilis.
J. A. Garnett, F. Marincs, S. Baumberg, P. G. Stockley & S. E. Phillips (2008) Journal of Molecular Biology 379, 284-298

Ribonuclease A homologues of the zebrafish: polymorphism, crystal structures of two representatives and their evolutionary implications.
K. Kazakou, D. E. Holloway, S. H. Prior, V. Subramanian & K. R. Acharya (2008) Journal of Molecular Biology 380, 206-222

The S-to-R transition of corticosteroid-binding globulin and the mechanism of hormone release.
A. Zhou, Z. Wei, P. L. D. Stanley, R. J. Reid, P. E. Stein & R. W. Carrell (2008) Journal of Molecular Biology 380, 244-251

Crystal structures of oseltamivir-resistant influenza virus neuraminidase mutants.
P. J. Collins, L. F. Haire, Y. P. Lin, J. Liu, R. J. Russell, P. A. Walker, J. J. Skehel, S. R. Martin, A. J. Hay & S. J. Gamblin (2008) Nature 453, 1258-1261

Crystal Structure of the C1 domain of Cardiac Myosin Binding Protein-C: Implications for Hypertrophic Cardiomyopathy.
L. Govada, L. Carpenter, P. C. A. da Fonseca, J. R. Helliwell, P. J. Rizkallah, E. Flashman, N. E. Chayen, C. Redwood & J. M. Squire (2008) Journal of Molecular Biology  378, 387-397

Crystallography with on-line optical and X-ray absorption spectroscopy demonstrates an ordered mechanism in Cu-nitrite reductase
Hough M.A. et al., (2008) Journal of Molecular Biology  378, 353-361

Structure of the tandem fibronectin type 3 domains of neural cell adhesion molecule.
F. Carafoli, J. L. Saffell, E. Hohenester (2008) Journal of Molecular Biology 377, pp. 524-534.

The SoxYZ complex carries sulfur cycle intermediates on a peptide swinging arm.
V. Sauvé, S. Bruno, B. C. Berks & A. M. Hemmings (2007) Journal of Biological Chemistry. 282, pp. 23194-23204.

An order-disorder twin crystal of L-2-haloacid dehalogenase from Sulfolobus tokodaii.
C. A. Rye, M. N. Isupov, A. A. Lebedev & J. A. Littlechild (2007) Acta Cryst. D63, pp. 926-930.

Structure determination of the O-methyltransferase NovP using the 'free lunch algorithm' as implemented in SHELXE.
I. Usón, C. E. Stevenson, D. M. Lawson & G. M. Sheldrick (2007) Acta Cryst. D63, pp. 1069-1074.

The determination of protonation states in proteins.
H. U. Ahmed, M. P. Blakeley, M. Cianci, D. W. Cruickshank, J. A. Hubbard & J. R. Helliwell (2007) Acta Cryst. D63, pp. 906-922.

Humidity control as a strategy for lattice optimization applied to crystals of HLA-A*1101 complexed with variant peptides from dengue virus.
P. Chotiyarnwong, G. B. Stewart-Jones, M. J. Tarry, W. Dejnirattisai, C. Siebold, M. Koch, D. I. Stuart, K. Harlos, P. Malasit, G. Screaton, J. Mongkolsapaya, E. Y. Jones (2007) Acta Cryst. F63, pp. 386-392.

Crystallization and preliminary X-ray analysis of the O-methyltransferase NovP from the novobiocin-biosynthetic cluster of Streptomyces spheroides.
C. E. M. Stevenson, C. L. Freel Myers, C. T. Walsh & D. M. Lawson (2007) Acta Cryst. F63, pp. 236-238.

The Laminin 511/521-binding site on the Lutheran blood group glycoprotein is located at the flexible junction of Ig domains 2 and 3.
T. J. Mankelow, N. Burton, F. O. Stefansdottir, F. A. Spring, S. F. Parsons, J. S. Pedersen, C. L. Oliveira, D. Lammie, T. Wess, N. Mohandas, J. A. Chasis, R. L. Brady & D. J. Anstee. (2007) Blood 110, pp. 3398-3406.

Atomic resolution insight into host cell recognition by Toxoplasma gondii.
T. M. Blumenschein, N. Friedrich, R. A. Childs, S. Saouros, E. P. Carpenter, M. A. Campanero-Rhodes, P. Simpson, W. Chai, T. Koutroukides, M. J. Blackman, T. Feizi, D. Soldati-Favre & S. Matthews (2007) EMBO Journal 26, pp. 2808-2820.

Molecular basis of the activity of the phytopathogen pectin methylesterase.
M. Fries, J. Ihrig, K. Brocklehurst, V. E. Shevchik & R. W. Pickersgill (2007) EMBO Journal 26, pp. 3879-9887.

Structural and mechanistic studies on the inhibition of the hypoxia-inducible transcription factor hydroxylases by tricarboxylic acid cycle intermediates.
K. S. Hewitson, B. M. Liénard, M. A. McDonough, I. J. Clifton, D. Butler, A. S. Soares, N. J. Oldham, L. A. McNeill & C. J. Schofield (2007) Journal of Biological Chemistry 282, pp. 3293-3301.

Crystal structures of multidrug binding protein TtgR in complex with antibiotics and plant antimicrobials.
Y. Alguel, C. Meng, W. Teran, T. Krell, J. L. Ramos, M. T. Gallegos & X. Zhang (2007) Journal of Molecular Biology 369, pp. 829-840.

X-ray structure analysis of a metalloprotein with enhanced active-site resolution using in situ x-ray absorption near edge structure spectroscopy.
A. Arcovito, M. Benfatto, M. Cianci, S.S. Hasnain, K. Nienhaus, G.U. Neinhaus, C. Savino, R.W. Strange, B. Vallone, S. Della-Longa (2007) PNAS 104, pp. 6211-6216.

Brominated Lipids Identify Lipid Binding Sites on the Surface of the Reaction Center from Rhodobacter sphaeroides.
A.W. Roszak, A.T. Gardiner, N.W. Isaacs, R.J. Cogdell (2007) Biochemistry 46, pp. 2909-2916.

Structural and Functional Characterization of Partner Switching Regulating the Environmental Stress Response in Bacillus Subtilis.
S.W. Hardwick, J. Panne-Farre, O. Delumeau, J. Marles-Wright, J.W. Murray, M. Hecker, R.J. Lewis (2007) J. Biol. Chem. 282, pp. 11562-11572.

l-Methionine sulfoximine, but not phosphinothricin, is a substrate for an acetyltransferase (gene PA4866) from Pseudomonas aeruginosa: structural and functional studies.
A. Davies, R. Tata, R. L. Beavil, B. J. Sutton & P. R. Brown (2007) Biochemistry 46 (7) pp. 1829-1839

Molecular replacement in the 'twilight zone': structure determination of the non-haem iron oxygenase NovR from Streptomyces spheroides through repeated density modification of a poor molecular-replacement solution.
S. Keller, F. Pojer, L. Heide & D. M. Lawson (2006) Acta Cryst. D62 (4) pp. 1564-1570
Method : n/a
PDB entries : n/a

Study of sulphation of Candoglia marble by means of micro X-ray diffraction experiments.
R. Pedrazzani, I. Alessandri, E. Bontempi, F. Capitelli, M. Cianci, E. Pantos, L. Toniolo & L. E. Depero (2006) Appl. Phys. (A) 83 (4) pp. 689-694
Method : n/a
PDB entries : n/a

Application of high-throughput technologies to a structural proteomics-type analysis of Bacillus anthracis.
K. Au, N. S. Berrow, E. Blagova, I. W. Boucher, J. A. Brannigan, L. G. Carter, T. Dierks, G. Folkers, R. Grenha, K. Harlos, R. Kaptein, # Kalliomaa AK, V. M. Levdikov, C. Meier, N. Milioti, O. Moroz, A. Muller, R. J. Owens, N. Rzechorzek, S. Sainsbury, D. I. Stuart, T. S. Walter, D. G. Waterman, A. J. Wilkinson, K. S. Wilson, N. Zaccai, R. M. Esnouf & M. J. Fogg (2006) Acta Cryst. D62 pp. 1267-1275
Method : Se-MAD
PDB entries : n/a

Crystallzation and X-ray data analysis of the 10kDa C-terminal lid subdomain from Caenorhabditis elegans Hsp70.
L. Worrall & M. D. Walkinshaw (2006) Acta Cryst. F62 pp. 938-943
Method : MAD
PDB entries : n/a

Structure of the Streptomyces Coelicolor Apo- and Holo- Acyl Carrier Protein Synthase from Caenorhabditis elegans Hsp70.
P. Dal'Aglio, C. Arthur, C.K.E. Law, M.P. Crump, J. Crosby, A.T. Hadfield (to be published)
Method : Molecular replacement
PDB entries : 2jbz

Structural and Mutagenic Analysis of Foot-and-Mouth Disease Virus 3C Protease Reveals the Role of the {Beta}-Ribbon in Proteolysis.
T.R. Sweeney, N. Roque-Rosell, J.R. Birtley, R.J. Leatherbarrow, S. Curry (2006) J. Virol. 81 pp. 115
Method :Molecular replacement
PDB entries : 2j92

The oxidised histone octamer does not form a H3 disulphide bond.
C. M. Wood, S. Sodngam, J. M. Nicholson, S. J. Lambert, C. D. Reynolds& J. P. Baldwin (2006) Biochim. Biophys. Acta 1764 (8) pp. 1356-1362
Method : Native
PDB entries : 2aro

Insight into Catalysis of Nitrous Oxide Reductase from High-resolution Structures of Resting and Inhibitor-bound Enzyme from Achromobacter cycloclastes.
K. Paraskevopoulos, S. V. Antonyuk, G. Sawers, R. R. Eady & S. S. Hasnain (2006) J. Mol. Biol. 362 (1) pp. 55-65
Method : Native
PDB entries : 2iwf & 2iwk

The essential GTPase YphC displays a major domain rearrangement associated with nucleotide binding.
S. P. Muench, L. Xu, S. E. Sedelnikova & D. W. Rice (2006) Proc. Nat. Acad. Sci (USA) 103 (33) pp. 12359-12364
Method : Se-MAD
PDB entries : 2hjg

Recognition of Oxidatively Modified Bases within the Biotin-binding Site of Avidin.
R. Conners, E. Hooley, A. R. Clarke, S. Thomas & R. L. Brady (2006) J. Mol. Biol. 357 (1) pp. 263-274
Method : Native
PDB entries : 2a8g

Cloning, purification and preliminary crystallographic analysis of the Bacillus subtilis GTPase YphC-GDP complex.
L. Xu, S. P. Muench, A. Roujeinikova, S. E. Sedelnikova & D. W. Rice (2006) Acta Cryst. F62 pp. 435-437
Method : Se-MAD
PDB entries : n/a

Basic requirements for a metal-binding site in a protein: The influence of loop shortening on the cupredoxin azurin.
C. Li, S. Yanagisawa, B. M. Martins, A. Messerschmidt, M. J. Banfield, C. Dennison (2006) Proc. Nat. Acad. Sci (USA) 103 (19) pp. 7256-7263
Method : Native
PDB entries : 2ft6, 2ft7 & 2ft8

The structure of CodY, a GTP and isoleucine responsive regulator of stationary phase in Gram-positive bacteria.
V. M. Levdikov, E. V. Blagova, P. Joseph, A. L. Sonenshein & A. J. Wilkinson (2006) J. Biol. Chem. 281 (16) pp. 11366-11373
Method : SAD
PDB entries : 2b18

Active site structures and the redox properties of blue copper proteins: Atomic resolution structure of azurin II and electronic structure calculations of azurin, plastocyanin and stellacyanin.
K. Paraskevopoulos, M. A. Hough, R. R.Eady & S. S. Hasnain (2006) Dalton Trans. 25 pp. 3067-3076
Method : Native
PDB entries : 2ccw

Variable metallation of human superoxide dismutase: atomic resolution crystal structures of Cu-Zn, Zn-Zn and As-isolated wild-type enzymes
R. W. Strange, S. V. Antonyuk, M. A. Hough, P. A. Doucette, J. S. Valentine & S. S. Hasnain (2006) J. Mol. Biol  356 (5) pp. 1152-1162
Method : Native
PDB entries : 2c9u, 2c9s, 2c9v

Crystal Structure of Peach Pru p 3, the Prototypic Member of the Family of Plant Non-specific Lipid Transfer Protein Pan-allergens
N. Pasquato, R. Berni, C. Folli, S. Folloni, M. Cianci, S. Pantano, J. R. Helliwell & G. Zanotti (2006) J. Mol. Biol  356 pp. 684-694
Method : Xe derivative
PDB entries : 

2005

Kinetics and Structure for the R55M Mutant of a Bacterial Sulfite Dehydrogenase.
U. Kappler, S. Bailey, C. Feng, M.J. Honeychurch, P.V. Bernhard, G. Tollin, J.E. Enemark (to be published)
Method : Molecular replacement
PDB entries : 2ca3

Kinetics and Structure of H57A Mutant of a Bacterial Sulfite Dehydrogenase.
U. Kappler, S. Bailey (to be published)
Method : Molecular replacement
PDB entries : 2ca4

Crystal Structure of the Wild-Type Mbt Domains of Human Scml2.
C. M. Santiveri, M. D. Allen, F. Sait & M. Bycroft  (to be published)
Method : Native
PDB entries : 2biv

Crystal Structure of Antithrombin-III.
T.E. Adams, J.A. Huntingdon, D.J.D. Johnson, S.C. Bock; (to be published)
Method : Molecular replacement
PDB entries : 2b4x

Structure of murine angiogenin: features of the substrate-and cell-binding regions and prospects for inhibitor-binding studies.
D. E. Holloway, G. B. Chavali, M. C. Hares, V. Subramanian, & K. R. Acharya (2005) Acta Cryst D61 pp. 1568-1578
Method :
PDB entries : .

Structure of Human Phytanoyl-Coa 2-Hydroxylase Identifies Molecular Mechanisms of Refsum Disease.
M. A. Mcdonough, K. L. Kavanagh, D. Butler, T. Searles, U. Oppermann & C. J. Schofield (2005) J. Biol. Chem. 280 (49) pp. 41101-41110
Method : SAD
PDB entries : 2a1x

Crystallographic and Circular Dichroism Studies of a Histone Octamer Exposed to Oxidising Agents.
C. M. Wood, S. Sodngam, J. M. Nicholson, S. J. Lambert, C. D. Reynolds& J. P. Baldwin (2006) Biochim. et Biophys. Acta (corrected proofs)
Method : Native
PDB entries : 2aro

Atomic resolution structures of resting-state, substrate- and product-complexed Cu-nitrite reductase provide insight into catalytic mechanism.
S. V. Antonyuk, R. W. Strange, G. Sawers, R. R. Eady & S. S. Hasnain,  (2005) Proc. Nat. Acad. Sci. (USA) 102 (34) pp. 12041-12046
Method : Native
PDB entries : 2bw4 & 2bw5

Structural and mechanistic studies on carboxymethylproline synthase (CarB), a unique member of the crotonase superfamily catalyzing the first step in carbapenem biosynthesis.
M. C. Sleeman, J. L. Sorensen, E. T. Batchelar, M. A. McDonough & C. J. Schofield (2005) J. Biol. Chem. 280 (41) pp. 34956-34965
Method : Se-MAD
PDB entries : 2a81 & 2a7k

Molecular basis of intramolecular electron transfer in sulfite-oxidizing enzymes is revealed by high resolution structure of a heterodimeric complex of the catalytic molybdopterin subunit and a c-type cytochrome subunit.
U. Kappler & S. Bailey (2005) J. Biol. Chem. 280 (26) pp. 24999-25007
Method : Native
PDB entries : 2bpb

Selective inhibition of factor inhibiting hypoxia-inducible factor.
M. A. McDonough, L. A. McNeill, M. Tilliet, C. A. Papamicael, Q. Y. Chen, B. Banerji, K. S. Hewitson & C. J. Schofield (2005) J. Amer. Chem. Soc. 127 (21) pp. 7680-7681
Method : SIR
PDB entries : 1yci

A high-throughput structural biology/proteomics beamline at the SRS on a new multipole wiggler.
M. Cianci, S. Antonyuk, N. Bliss, M. W. Bailey, S. G. Buffey, K. C. Cheung, J. A. Clarke, G. E. Derbyshire, M. J. Ellis, M. J. Enderby, A. F. Grant, M. P. Holbourn, D. Laundy, C. Nave, R. Ryder, P. Stephenson, J. R. Helliwell & S. S. Hasnain (2005) J. Sync. Rad. 12 (4) pp. 455-466
Method : n/a
PDB entries : n/a
 

Metallogenomics and biological X-ray absorption spectroscopy.
I. Ascone, R. Fourme, S. Hasnain & K. Hodgson (2005) J. Sync. Rad. 12 pp. 1-3
Method : n/a
PDB entries : n/a

Structural basis for nuclear import complex dissociation by RanGTP
S. J. Lee, Y. Matsuura, S. M. Lu & M. Stewart (2005) Nature. 435 (7042) pp. 693-696
Method : Native
PDB entries : 2bku

Structure of MFP2 and its Function in Enhancing MSP Polymerization in Ascaris Sperm Amoeboid Motility.
R. P. Grant, S. M. Buttery, G. C. Eckman, T. M. Roberts & M. Stewart (2005) J. Mol. Biol. 347 (3) pp. 583-595
Method : Native
PDB entries : 2bjq

2004

ESCRT-II, an Endosome-Associated Complex Required for Protein Sorting: Crystal Structure and Interactions with ESCRT-III and Membranes..
H. Teo, O. Perisic, B. Gonzalez, R. L. Williams (2004) Dev. Cell 7 (4) pp. 559-569
Method : S Anomalous
PDB entries : 1w7p

Atomic Snapshots of an RNA Packaging Motor Reveal Conformational Changes Linking ATP Hydrolysis to RNA Translocation.
E. J. Mancini, D. E. Kainov, J. M. Grimes, R. Tuma, D. H. Bamford & D. I. Stuart (2004) Cell 118 (6) pp. 743-755
Method : Mn Anomalous
PDB entries : 1w4a, 1w49