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Research

Publications: Dr Robert Janes

Drew ED, Janes RW ( 2020 ) . Identification of a druggable binding pocket in the spike protein reveals a key site for existing drugs potentially capable of combating Covid-19 infectivity . BMC Molecular Biology vol. 21 , ( 1 ) 49 - 49 .
Janes R, Drew E ( 2020 ) . PDBMD2CD: Providing Predicted Protein Circular Dichroism Spectra from Multiple Molecular Dynamics-Generated Protein Structures . Nucleic Acids Research
Wallace BA, Janes RW, Miles A, Drew ED, Whitmore L, Ramalli SG ( 2020 ) . Tools and Resources for Circular Dichroism Spectroscopy . Biophysical Journal . vol. 118 ,
Janes RW, Drew ED ( 2019 ) . 2StrucCompare: A webserver for visualizing small but noteworthy differences between protein tertiary structures through interrogation of the secondary structure content . Nucleic Acids Research
Drew ED, Mavridis L, Janes RW ( 2018 ) . PDB2CD: A Web-Based Application for the Generation of Circular Dichroism Spectra from Protein Atomic Coordinates . Biophysical Journal . vol. 114 ,
Whitmore L, Mavridis L, Wallace BA, Janes RW ( 2017 ) . DichroMatch at the protein circular dichroism data bank (DM@PCDDB): A web-based tool for identifying protein nearest neighbors using circular dichroism spectroscopy . Protein Science vol. 27 , ( 1 ) 10 - 13 .
Janes RW ( 2017 ) . PDB2CD visualises dynamics within protein structures . European Biophysics Journal vol. 46 , ( 7 ) 607 - 616 .
Janes R ( 2017 ) . Shining light on membrane proteins . Eur Biophys J vol. 46 , ( 7 ) 597 - 597 .
Janes RW ( 2017 ) . PDB2CD: A novel tool for protein structure/function analysis . EUROPEAN BIOPHYSICS JOURNAL WITH BIOPHYSICS LETTERS . vol. 46 , S163 - S163 .
Mavridis L, Janes RW ( 2016 ) . PDB2CD: A web-based application for the generation of circular dichroism spectra from protein atomic coordinates . Bioinformatics
Whitmore L, Miles AJ, Mavridis L, Janes RW, Wallace BA ( 2016 ) . PCDDB: new developments at the Protein Circular Dichroism Data Bank . Nucleic Acids Research
Woollett B, Whitmore L, Janes RW, Wallace BA ( 2013 ) . ValiDichro: a website for validating and quality control of protein circular dichroism spectra . Nucleic Acids Res vol. 41 , ( Web Server issue ) W417 - W421 .
Whitmore L, Woollett B, Janes RW, Wallace BA ( 2013 ) . The Protein Circular Dichroism Data Bank: A Resource for Data Sharing . BIOPHYSICAL JOURNAL . vol. 104 , 567A - 567A .
Janes RW, Miles AJ, Woollett B, Whitmore L, Klose D, Wallace BA ( 2012 ) . Circular dichroism spectral data and metadata in the Protein Circular Dichroism Data Bank (PCDDB): a tutorial guide to accession and deposition . Chirality vol. 24 , ( 9 ) 751 - 763 .
Klose DP, Wallace BA, Janes RW ( 2012 ) . DichroMatch: a website for similarity searching of circular dichroism spectra . Nucleic Acids Res vol. 40 , ( Web Server issue ) W547 - W552 .
Woollett B, Klose D, Cammack R, Janes RW, Wallace BA ( 2012 ) . JCAMP-DX for circular dichroism spectra and metadata (IUPAC Recommendations 2012) . PURE AND APPLIED CHEMISTRY vol. 84 , ( 10 ) 2171 - 2182 .
Wallace BA, Gekko K, Vronning Hoffmann S, Lin YH, Sutherland JC, Tao Y, Wien F, Janes RW ( 2011 ) . Synchrotron radiation circular dichroism (SRCD) spectroscopy: An emerging method in structural biology for examining protein conformations and protein interactions . NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT . vol. 649 , 177 - 178 .
Woollett B, Whitmore L, Miles AJ, Janes RW, Wallace BA ( 2011 ) . Validichro, a Software Tool for Validation of Circular Dichroism (CD) Spectroscopic Data . Biophysical Journal . vol. 100 ,
Whitmore L, Woollett B, Miles AJ, Klose DP, Janes RW, Wallace BA ( 2011 ) . PCDDB: the Protein Circular Dichroism Data Bank, a repository for circular dichroism spectral and metadata . Nucleic Acids Res vol. 39 , ( Database issue ) D480 - D486 .
Klose DP, Wallace BA, Janes RW ( 2010 ) . 2Struc: the secondary structure server . Bioinformatics vol. 26 , ( 20 ) 2624 - 2625 .
Whitmore L, Woollett B, Miles AJ, Janes RW, Wallace BA ( 2010 ) . The protein circular dichroism data bank, a Web-based site for access to circular dichroism spectroscopic data . Structure vol. 18 , ( 10 ) 1267 - 1269 .
Wallace BA, Janes RW ( 2010 ) . Synchrotron radiation circular dichroism (SRCD) spectroscopy: an enhanced method for examining protein conformations and protein interactions . Biochem Soc Trans vol. 38 , ( 4 ) 861 - 873 .
Klose DP, Janes RW ( 2010 ) . 2°Struc - the Protein Secondary Structure Analysis Server . Biophysical Journal . vol. 98 , 454a - 455a .
Whitmore L, Woollett B, Miles AJ, Janes RW, Wallace BA ( 2010 ) . The Protein Circular Dichroism Data Bank (PCDDB) - First Release of a New Resource for Spectroscopic Data Sharing . Biophysical Journal . vol. 98 , 196a - 197a .
Janes RW, Wallace BA ( 2009 ) . An introduction to circular dichroism and synchrotron radiation circular dichroism spectroscopy .
Janes RW ( 2009 ) . Reference datasets for protein circular dichroism and synchrotron radiation circular dichroism spectroscopic analyses . Advances in Biomedical Spectroscopy vol. 1 , 183 - 201 .
Wallace BA, Whitmore L, Janes RW ( 2009 ) . The protein circular dichroism data bank (PCDDB): A resource for data archiving, sharing, validation and analysis . Advances in Biomedical Spectroscopy vol. 1 , 216 - 227 .
Janes RW ( 2009 ) . The pet . NATURE vol. 461 , ( 7261 ) 304 - 304 .
Miles AJ, Janes RW, Brown A, Clarke DT, Sutherland JC, Tao Y, Wallace BA, Hoffmann SV ( 2008 ) . Light flux density threshold at which protein denaturation is induced by synchrotron radiation circular dichroism beamlines . J Synchrotron Radiat vol. 15 , ( Pt 4 ) 420 - 422 .
Lees JG, Janes RW ( 2008 ) . Combining sequence-based prediction methods and circular dichroism and infrared spectroscopic data to improve protein secondary structure determinations . BMC BIOINFORMATICS vol. 9 , Article 24 ,
Maytum R, Janes RW ( 2007 ) . Synchrotron Radiation Circular Dichroism spectroscopy reveals a new structural transition in tropomyosin . BIOPHYSICAL JOURNAL . 362A - 362A .
Miles AJ, Hoffmann SV, Tao Y, Janes RW, Wallace BA ( 2007 ) . Synchrotron radiation circular dichroism (SRCD) spectroscopy: New beamlines and new applications in biology . SPECTROSC-INT J vol. 21 , ( 5-6 ) 245 - 255 .
Lees JG, Miles AJ, Janes RW, Wallace BA ( 2006 ) . Novel methods for secondary structure determination using low wavelength (VUV) circular dichroism spectroscopic data . BMC Bioinformatics vol. 7 ,
Cuff AL, Janes RW, Martin ACR ( 2006 ) . Analysing the ability to retain sidechain hydrogen-bonds in mutant proteins . Bioinformatics vol. 22 , ( 12 ) 1464 - 1470 .
Whitmore L, Janes RW, Wallace BA ( 2006 ) . Protein Circular Dichroism Data Bank (PCDDB): data bank and website design . Chirality vol. 18 , ( 6 ) 426 - 429 .
JANES RW, Lees JG, Miles AJ, Stone TC, Wallace BA, Wien F ( 2006 ) . A Circular Dichroism Reference Database for Membrane Proteins . Biophysical Journal vol. 90 ,
Wallace BA, Whitmore L, Janes RW ( 2006 ) . The Protein Circular Dichroism Data Bank (PCDDB): A bioinformatics and spectroscopic resource . PROTEINS vol. 62 , ( 1 ) 1 - 3 .
Janes RW ( 2005 ) . Bioinformatics analyses of circular dichroism protein reference databases . Bioinformatics vol. 21 , ( 23 ) 4230 - 4238 .
Janes RW, Cuff AL ( 2005 ) . Overcoming protein denaturation caused by irradiation in a high-flux synchrotron radiation circular dichroism beamline . J Synchrotron Radiat vol. 12 , ( Pt 4 ) 524 - 529 .
Janes RW, O'Boyle F, Mezo G, Hudecz F ( 2005 ) . Structural investigations of alpha-Conotoxin SI chimeras containing epitopes from Herpes Simplex Virus and cancer-related Mucin proteins reveal notable conformational differences . FEBS JOURNAL . vol. 272 , 526 - 526 .
Janes RW ( 2005 ) . alpha-Conotoxins as selective probes for nicotinic acetylcholine receptor subclasses . Curr Opin Pharmacol vol. 5 , ( 3 ) 280 - 292 .
Hawkes NJ, Janes RW, Hemingway J, Vontas J ( 2005 ) . Detection of resistance-associated point mutations of organophosphate-insensitive acetylcholinesterase in the olive fruit fly, Bactrocera oleae (Gmelin) . PESTIC BIOCHEM PHYS vol. 81 , ( 3 ) 154 - 163 .
Wien F, Miles AJ, Lees JG, Cuff AL, Janes RW, Wallace BA ( 2005 ) . A new circular dichroism spectroscopy reference dataset covering fold space . BIOPHYSICAL JOURNAL . vol. 88 , 554A - 554A .
JANES RW, Wallace BA ( 2005 ) . Meeting Reports: International Workshop on the Protein Circular Dichroism Data Bank . Synchrotron Radiation News vol. 18 , ( 4 ) 20 - 21 .
Miles AJ, Wien F, Lees JG, Rodger A, Janes RW, Wallace BA ( 2004 ) . A method for calibration and standardisation of synchrotron radiation circular dichroism (SRCD) and conventional circular dichroism spectrophotometers and its applications to protein secondary structure analyses . BIOPHYSICAL JOURNAL . vol. 86 , 358A - 358A .
Wallace BA, Janes RW ( 2003 ) . Circular dichroism and synchrotron radiation circular dichroism spectroscopy: tools for drug discovery (vol 31, pg 631, 2003) . BIOCHEM SOC T vol. 31 , 1531 - 1531 .
Vontas JG, Hejazi MJ, Hawkes NJ, Cosmidis N, Loukas M, Janes RW, Hemingway J ( 2003 ) . Erratum: Resistance-associated point mutations of organophosphate insensitive acetylcholinesterase, in the olive fruit fly Bactrocera oleae (Insect Molecular Biology (2002) 11 (329-336)) . Insect Molecular Biology vol. 12 , ( 4 )
Vontas JG, Hejazi MJ, Hawkes NJ, Cosmidis N, Loukas M, Janes RW, Hemingway J ( 2003 ) . Resistance-associated point mutations of organophosphate insensitive acetylcholinesterase, in the olive fruit fly Bactrocera oleae (vol 11, pg 329, 2002) . INSECT MOL BIOL vol. 12 , ( 4 ) 413 - 413 .
Wallace BA, Janes RW ( 2003 ) . Circular dichroism and synchrotron radiation circular dichroism spectroscopy: tools for drug discovery . BIOCHEM SOC T vol. 31 , 631 - 633 .
Janes RW ( 2003 ) . Nicotinic acetylcholine receptors: alpha-conotoxins as templates for rational drug design . BIOCHEM SOC T vol. 31 , 634 - 636 .
Wallace BA, Lees JG, Orry AJW, Lobley A, Janes RW ( 2003 ) . Analyses of circular dichroism spectra of membrane proteins . Protein Sci vol. 12 , ( 4 ) 875 - 884 .
Wallace BA, Lees JG, Orry A, Wien F, Whitmore L, Lobley A, Janes RW ( 2003 ) . Circular dichroism analyses of membrane proteins . BIOPHYSICAL JOURNAL . vol. 84 , 136A - 136A .
Miles AJ, Wien F, Lees JG, Rodger A, Janes RW, Wallace BA ( 2003 ) . Calibration and standardisation of synchrotron radiation circular dichroism and conventional circular dichroism spectrophotometers . SPECTROSC-INT J vol. 17 , ( 4 ) 653 - 661 .
Wallace BA, Janes RW ( 2003 ) . Erratum: Circular dichroism and synchrotron radiation circular dichroism spectroscopy - Tools for drug discovery (Biochemical Society Transactions (2003) 31:3 (631-633)) . Biochemical Society Transactions vol. 31 , ( 6 )
Vontas JG, Hejazi MJ, Hawkes NJ, Cosmidis N, Loukas M, Janes RW, Hemingway J ( 2002 ) . Resistance-associated point mutations of organophosphate insensitive acetylcholinesterase, in the olive fruit fly Bactrocera oleae . Insect Mol Biol vol. 11 , ( 4 ) 329 - 336 .
Wallace BA, Lees J, Janes RW ( 2002 ) . Fold recognition by Synchrotron Radiation Circular Dichroism (SRCD) spectroscopy: A new tool for structural genomics . BIOPHYS J vol. 82 , ( 1 ) 360A - 360A .
Wallace BA, Janes RW ( 2001 ) . Synchrotron radiation circular dichroism spectroscopy of proteins: secondary structure, fold recognition and structural genomics . CURR OPIN CHEM BIOL vol. 5 , ( 5 ) 567 - 571 .
Orry AJW, Janes RW, Sarra R, Hanlon MR, Wallace BA ( 2001 ) . Synchrotron radiation circular dichroism spectroscopy: vacuum ultraviolet irradiation does not damage protein integrity . J SYNCHROTRON RADIAT vol. 8 , 1027 - 1029 .
Janes RW, Potter BS, Naylor MA, Ferguson AC, Patel KB, Stratford MRL, Wardman P, Everett SA ( 2001 ) . 1-Methylindole-3-carboxaldehyde oxime derivatives . ACTA CRYSTALLOGR C vol. 57 , 58 - 61 .
Wallace BA, Janes RW, Orry A ( 2001 ) . Secondary structure information content on the VUV region of synchrotron radiation circular dichroism (SRCD) spectra . BIOPHYS J vol. 80 , ( 1 ) 28A - 28A .
Wallace BA, Janes RW ( 2000 ) . Tryptophans in membrane proteins: X-ray crystallographic analyses . Advances in Experimental Medicine and Biology . vol. 467 , 789 - 799 .
Benie AJ, Whitford D, Hargittai B, Barany G, Janes RW ( 2000 ) . Solution structure of α-conotoxin SI . FEBS Letters vol. 476 , ( 3 ) 287 - 295 .
Janes RW ( 2000 ) . 1-[5-[2-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]guanidinium chloride . Acta Crystallographica, Section C: Crystal Structure Communications vol. 56 ,
Janes RW ( 2000 ) . 3,5-diamino-6-(2-fluorophenyl)-1,2,4-triazine-dimethylformamide (1/1) . Acta Crystallographica, Section C: Crystal Structure Communications vol. 56 ,
Janes RW ( 2000 ) . 1-{5-[2-(Trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl}guanidinium chloride . Acta Crystallographica Section C: Crystal Structure Communications vol. 56 , ( 4 ) 508 - 509 .
Janes RW ( 2000 ) . 3,5-Diamino-6-(2-fluorophenyl)-1,2,4-triazine-dimethylformamide (1/1) . Acta Crystallographica Section C: Crystal Structure Communications vol. 56 , ( 3 ) 362 - 364 .
Rodi DJ, Janes RW, Sanganee HJ, Holton RA, Wallace BA, Makowski L ( 1999 ) . Screening of a library of phage-displayed peptides identifies human Bcl-2 as a Taxol-binding protein . Journal of Molecular Biology vol. 285 , ( 1 ) 197 - 203 .
Janes RW ( 1999 ) . Crystal structure of an analog of the anticonvulsant lamotrigine, 3,5-diamino-6-(2,3,5-trichlorophenyl)-1,2,4-triazine · dimethanolate, and structure comparisons with related analogs . Journal of Chemical Crystallography vol. 29 , ( 2 ) 163 - 167 .
Mitchison HM, Taschner PEM, Kremmidiotis C, Callen DF, Doggett NA, Lerner TJ, Janes RB, Wallace BA et al. ( 1997 ) . Structure of the CLN3 gene and predicted structure, location and function of CLN3 protein . Neuropediatrics vol. 28 , ( 1 ) 12 - 14 .
Janes RW, Munroe PB, Mitchison HM, Gardiner RM, Mole SE, Wallace BA ( 1996 ) . A model for Batten disease protein CLN3: Functional implications from homology and mutations . FEBS Letters vol. 399 , ( 1-2 ) 75 - 77 .
Janes RW, Palmer RA ( 1996 ) . 3,5-Diamino-6-(2-bromophenyl)-1,2,4-triazine dimethanol solvate: An analogue of lamotrigine . Acta Crystallographica Section C: Crystal Structure Communications vol. 52 , ( 10 ) 2627 - 2629 .
Peto H, Corder R, Janes RW, Wallace BA ( 1996 ) . A molecular model for human Big-Endothelin-1 (Big ET-1) . FEBS Letters vol. 394 , ( 2 ) 191 - 195 .
Peishoff CE, Janes RW, Wallace BA ( 1995 ) . Comparison of the structures of the endothelin A receptor antagonists BQ123 and N-methyl leucine BQ123 with the crystal structure of the C-terminal tail of endothelin-1 . FEBS Letters vol. 374 , ( 3 ) 379 - 383 .
Janes RW, Palmer RA ( 1995 ) . Practical limitations observed using the AM1, MNDO and MINDO/3 semi-empirical methods for charge calculation and structure optimization in 1,2,4-triazine ring-containing compounds . Journal of Molecular Structure: THEOCHEM vol. 339 , ( 1-3 ) 95 - 101 .
Wallace BA, Janes RW, Bassolino DA, Krystek SR ( 1995 ) . A comparison of X‐ray and NMR structures for human endothelin‐1 . Protein Science vol. 4 , ( 1 ) 75 - 83 .
Lapthorn AJ, Janes RW, Isaacs NW, Wallace BA ( 1995 ) . Cystine nooses and protein specificity . Nature Structural Biology vol. 2 , ( 4 ) 266 - 268 .
Wallace BA, Janes RW ( 1995 ) . The crystal structure of human endothelin-1 and how it relates to receptor binding . Journal of Cardiovascular Pharmacology vol. 26 , S250 - S253 .
Janes RW, Wallace BA ( 1994 ) . Modelling the structures of the isoforms of human endothelins based on the crystal structure of human endothelin-1 . Biochemical Society Transactions . vol. 22 , 1037 - 1043 .
Janes RW, Peapus DH, Wallace BA ( 1994 ) . The crystal structure of human endothelin . Nature Structural Biology vol. 1 , ( 5 ) 311 - 319 .
Peapus DH, Janes RW, Wallace BA ( 1993 ) . Preliminary crystallization and X-ray analysis of orthorhombic human endothelin . Journal of Molecular Biology vol. 234 , ( 4 ) 1250 - 1252 .
Wood SP, Janes RW, Sweeney E, Palmer RA ( 1992 ) . Crystallization of bovine pancreatic polypeptide in the presence of crystalline diglycidyl ether of bisphenol A (Araldite): epitaxy or covalent nucleation? . Journal of Crystal Growth vol. 122 , ( 1-4 ) 204 - 207 .
Wallace BA, Janes RW ( 1991 ) . Co-crystals of gramicidin A and phospholipid. A system for studying the structure of a transmembrane channel . Journal of Molecular Biology vol. 217 , ( 4 ) 625 - 627 .