By Dr Janet Newman

Journal articles

Warden AC; Williams M; Peat TS; Seabrook SA; Newman J; Dojchinov G; Haritos VS, 2015, 'Rational engineering of a mesohalophilic carbonic anhydrase to an extreme halotolerant biocatalyst', Nature Communications, 6, http://dx.doi.org/10.1038/ncomms10278

Ristic M; Rosa N; Seabrook SA; Newman J, 2015, 'Formulation screening by differential scanning fluorimetry: how often does it work?', ACTA CRYSTALLOGRAPHICA SECTION F-STRUCTURAL BIOLOGY COMMUNICATIONS, 71, pp. 1359 - 1364, http://dx.doi.org/10.1107/S2053230X15012662

Balotra S; Warden AC; Newman J; Briggs LJ; Scott C; Peat TS, 2015, 'X-Ray structure and mutagenesis studies of the n-isopropylammelide isopropylaminohydrolase, AtzC', PLoS ONE, 10, http://dx.doi.org/10.1371/journal.pone.0137700

Rosa N; Ristic M; Seabrook SA; Lovell D; Lucent D; Newman J, 2015, 'Meltdown: A Tool to Help in the Interpretation of Thermal Melt Curves Acquired by Differential Scanning Fluorimetry', JOURNAL OF BIOMOLECULAR SCREENING, 20, pp. 898 - 905, http://dx.doi.org/10.1177/1087057115584059

Knoblich K; Park S; Lutfi M; van 't Hag L; Conn CE; Seabrook SA; Newman J; Czabotar PE; Im W; Call ME; Call MJ, 2015, 'Transmembrane Complexes of DAP12 Crystallized in Lipid Membranes Provide Insights into Control of Oligomerization in Immunoreceptor Assembly', CELL REPORTS, 11, pp. 1184 - 1192, http://dx.doi.org/10.1016/j.celrep.2015.04.045

Peat TS; Newman J; Balotra S; Lucent D; Warden AC; Scott C, 2015, 'The structure of the hexameric atrazine chlorohydrolase AtzA', Acta Crystallographica Section D: Biological Crystallography, 71, pp. 710 - 720, http://dx.doi.org/10.1107/S1399004715000619

Balotra S; Newman J; Cowieson NP; French NG; Campbell PM; Briggs LJ; Warden AC; Easton CJ; Peat TS; Scott C, 2015, 'X-Ray structure of the amidase domain of AtzF, the allophanate hydrolase from the cyanuric acid-mineralizing multienzyme complex', Applied and Environmental Microbiology, 81, pp. 470 - 480, http://dx.doi.org/10.1128/AEM.02783-14

Boersma YL; Newman J; Adams TE; Cowieson N; Krippner G; Bozaoglu K; Peat TS, 2014, 'The structure of vanin 1: A key enzyme linking metabolic disease and inflammation', Acta Crystallographica Section D: Biological Crystallography, 70, pp. 3320 - 3329, http://dx.doi.org/10.1107/S1399004714022767

Dennis ML; Chhabra S; Wang ZC; Debono A; Dolezal O; Newman J; Pitcher NP; Rahmani R; Cleary B; Barlow N; Hattarki M; Graham B; Peat TS; Baell JB; Swarbrick JD, 2014, 'Structure-based design and development of functionalized mercaptoguanine derivatives as inhibitors of the folate biosynthesis pathway enzyme 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase from staphylococcus aureus', Journal of Medicinal Chemistry, 57, pp. 9612 - 9626, http://dx.doi.org/10.1021/jm501417f

Fazio VJ; Peat TS; Newman J, 2014, 'A drunken search in crystallization space', Acta Crystallographica Section F: Structural Biology Communications, 70, pp. 1303 - 1311, http://dx.doi.org/10.1107/S2053230X1401841X

Kenny PW; Newman J; Peat TS, 2014, 'Nitrate in the active site of protein tyrosine phosphatase 1B is a putative mimetic of the transition state', Acta Crystallographica Section D: Biological Crystallography, 70, pp. 565 - 571, http://dx.doi.org/10.1107/S1399004713031052

Mele K; Lekamge BMT; Fazio VJ; Newman J, 2014, 'Using time courses to enrich the information obtained from images of crystallization trials', Crystal Growth and Design, 14, pp. 261 - 269, http://dx.doi.org/10.1021/cg4014569

Jackson CJ; Coppin CW; Carr PD; Aleksandrov A; Wilding M; Sugrue E; Ubels J; Paks M; Newman J; Peat TS; Russell RJ; Field M; Weik M; Oakeshott JG; Scott C, 2014, '300-fold increase in production of the Zn²⁺-dependent dechlorinase trzN in soluble form via apoenzyme stabilization', Applied and Environmental Microbiology, 80, pp. 4003 - 4011, http://dx.doi.org/10.1128/AEM.00916-14

Balotra S; Newman J; French NG; Briggs LJ; Peat TS; Scott C, 2014, 'Crystallization and preliminary X-ray diffraction analysis of the amidase domain of allophanate hydrolase from Pseudomonas sp. strain ADP', Acta Crystallographica Section F:Structural Biology Communications, 70, pp. 310 - 315, http://dx.doi.org/10.1107/S2053230X13034705

Luft JR; Newman J; Snell EH, 2014, 'Crystallization screening: The influence of history on current practice', Acta Crystallographica Section F:Structural Biology Communications, 70, pp. 835 - 853, http://dx.doi.org/10.1107/S2053230X1401262X

Calero G; Cohen AE; Luft JR; Newman J; Snell EH, 2014, 'Identifying, studying and making good use of macromolecular crystals', Acta Crystallographica Section F:Structural Biology Communications, 70, pp. 993 - 1008, http://dx.doi.org/10.1107/S2053230X14016574

Peat TS; Dolezal O; Newman J; Mobley D; Deadman JJ, 2014, 'Interrogating HIV integrase for compounds that bind - A SAMPL challenge', Journal of Computer-Aided Molecular Design, 28, pp. 347 - 362, http://dx.doi.org/10.1007/s10822-014-9721-7

Mele K; Li R; Fazio VJ; Newman J, 2014, 'Quantifying the quality of the experiments used to grow protein crystals: The iQC suite', Journal of Applied Crystallography, 47, pp. 1097 - 1106, http://dx.doi.org/10.1107/S1600576714009728

Newman J; Peat TS; Paul Savage G, 2014, 'What's in a name? Moving towards a limited vocabulary for macromolecular crystallisation', Australian Journal of Chemistry, 67, pp. 1813 - 1817, http://dx.doi.org/10.1071/CH14199

Dolezal O; Doughty L; Hattarki MK; Fazio VJ; Caradoc-Davies TT; Newman J; Peat TS, 2013, 'Fragment screening for the modelling community: SPR, ITC, and crystallography', Australian Journal of Chemistry, 66, pp. 1507 - 1517, http://dx.doi.org/10.1071/CH13302

Seabrook SA; Newman J, 2013, 'High-throughput thermal scanning for protein stability: Making a good technique more robust', ACS Combinatorial Science, 15, pp. 387 - 392, http://dx.doi.org/10.1021/co400013v

Peat TS; Rhodes DI; Vandegraaff N; Le G; Smith JA; Clark LJ; Jones ED; Coates JAV; Thienthong N; Newman J; Dolezal O; Mulder R; Ryan JH; Paul Savage G; Francis CL; Deadman JJ, 2013, 'Correction: Small molecule inhibitors of the LEDGF site of human immunodeficiency virus integrase identified by fragment screening and structure based design (PLoS ONE)', PLoS ONE, 8, http://dx.doi.org/10.1371/annotation/eb238f0f-7582-4318-af95-64ac98d3b0be

Newman J; Burton DR; Caria S; Desbois S; Gee CL; Fazio VJ; Kvansakul M; Marshall B; Mills G; Richter V; Seabrook SA; Wu M; Peat TS, 2013, 'Crystallization reports are the backbone of Acta Cryst. F, but do they have any spine?', Acta Crystallographica Section F: Structural Biology and Crystallization Communications, 69, pp. 712 - 718, http://dx.doi.org/10.1107/S1744309113014152

Peat TS; Balotra S; Wilding M; French NG; Briggs LJ; Panjikar S; Cowieson N; Newman J; Scott C, 2013, 'Cyanuric acid hydrolase: Evolutionary innovation by structural concatenation', Molecular Microbiology, 88, pp. 1149 - 1163, http://dx.doi.org/10.1111/mmi.12249

Chhabra S; Barlow N; Dolezal O; Hattarki MK; Newman J; Peat TS; Graham B; Swarbrick JD, 2013, 'Exploring the Chemical Space around 8-Mercaptoguanine as a Route to New Inhibitors of the Folate Biosynthesis Enzyme HPPK', PLoS ONE, 8, http://dx.doi.org/10.1371/journal.pone.0059535

Newman J; Seabrook S; Surjadi R; Williams CC; Lucent D; Wilding M; Scott C; Peat TS, 2013, 'Determination of the Structure of the Catabolic N-Succinylornithine Transaminase (AstC) from Escherichia coli', PLoS ONE, 8, http://dx.doi.org/10.1371/journal.pone.0058298

Chan M; Fazio VJ; Newman J, 2013, 'Using graphs to represent crystallization conditions', Crystal Growth and Design, 13, pp. 1290 - 1294, http://dx.doi.org/10.1021/cg301755a

Wielens J; Headey SJ; Rhodes DI; Mulder RJ; Dolezal O; Deadman JJ; Newman J; Chalmers DK; Parker MW; Peat TS; Scanlon MJ, 2013, 'Parallel screening of low molecular weight fragment libraries: Do differences in methodology affect hit identification?', Journal of Biomolecular Screening, 18, pp. 147 - 159, http://dx.doi.org/10.1177/1087057112465979

Desbois S; Seabrook SA; Newman J, 2013, 'Some practical guidelines for UV imaging in the protein crystallization laboratory', Acta Crystallographica Section F: Structural Biology and Crystallization Communications, 69, pp. 201 - 208, http://dx.doi.org/10.1107/S1744309112048634

Newman J; Sayle RA; Fazio VJ, 2012, 'A universal indicator dye pH assay for crystallization solutions and other high-throughput applications', Acta Crystallographica Section D: Biological Crystallography, 68, pp. 1003 - 1009, http://dx.doi.org/10.1107/S0907444912018768

Peat TS; Rhodes DI; Vandegraaff N; Le G; Smith JA; Clark LJ; Jones ED; Coates JAV; Thienthong N; Newman J; Dolezal O; Mulder R; Ryan JH; Savage GP; Francis CL; Deadman JJ, 2012, 'Small molecule inhibitors of the LEDGF site of human immunodeficiency virus integrase identified by fragment screening and structure based design', PLoS ONE, 7, http://dx.doi.org/10.1371/journal.pone.0040147

Darmanin C; Conn CE; Newman J; Mulet X; Seabrook SA; Liang YL; Hawley A; Kirby N; Varghese JN; Drummond CJ, 2012, 'High-throughput production and structural characterization of libraries of self-assembly lipidic cubic phase materials', ACS Combinatorial Science, 14, pp. 247 - 252, http://dx.doi.org/10.1021/co2001718

Newman J; Bolton EE; Müller-Dieckmann J; Fazio VJ; Gallagher DT; Lovell D; Luft JR; Peat TS; Ratcliffe D; Sayle RA; Snell EH; Taylor K; Vallotton P; Velanker S; Von Delft F, 2012, 'On the need for an international effort to capture, share and use crystallization screening data', Acta Crystallographica Section F: Structural Biology and Crystallization Communications, 68, pp. 253 - 258, http://dx.doi.org/10.1107/S1744309112002618

Chhabra S; Dolezal O; Collins BM; Newman J; Simpson JS; Macreadie IG; Fernley R; Peat TS; Swarbrick JD, 2012, 'Structure of S. aureus HPPK and the discovery of a new substrate site inhibitor', PLoS ONE, 7, http://dx.doi.org/10.1371/journal.pone.0029444

Newman J; Luft JR, 2012, '13th international conference on the crystallization of biological macromolecules (ICCBM13) proceedings overview', Crystal Growth and Design, 12, pp. 3 - 7, http://dx.doi.org/10.1021/cg201206e

Peat TS; Böttcher C; Newman J; Lucent D; Cowieson N; Davies C, 2012, 'Crystal structure of an indole-3-acetic acid amido synthetase from grapevine involved in auxin homeostasis', Plant Cell, 24, pp. 4525 - 4538, http://dx.doi.org/10.1105/tpc.112.102921

Newman J; Dolezal O; Fazio V; Caradoc-Davies T; Peat TS, 2012, 'The DINGO dataset: A comprehensive set of data for the SAMPL challenge', Journal of Computer-Aided Molecular Design, 26, pp. 497 - 503, http://dx.doi.org/10.1007/s10822-011-9521-2

Atkinson SC; Dogovski C; Newman J; Dobson RCJ; Perugini MA, 2011, 'Cloning, expression, purification and crystallization of dihydrodipicolinate synthase from the grapevine Vitis vinifera', Acta Crystallographica Section F: Structural Biology and Crystallization Communications, 67, pp. 1537 - 1541, http://dx.doi.org/10.1107/S1744309111038395

Rhodes DI; Peat TS; Vandegraaff N; Jeevarajah D; Newman J; Martyn J; Coates JAV; Ede NJ; Rea P; Deadman JJ, 2011, 'Crystal structures of novel allosteric peptide inhibitors of HIV integrase identify new interactions at the LEDGF binding site', ChemBioChem, 12, pp. 2311 - 2315, http://dx.doi.org/10.1002/cbic.201100350

Kennedy DF; Drummond CJ; Peat TS; Newman J, 2011, 'Evaluating protic ionic liquids as protein crystallization additives', Crystal Growth and Design, 11, pp. 1777 - 1785, http://dx.doi.org/10.1021/cg1017104

Rhodes DI; Peat TS; Vandegraaff N; Jeevarajah D; Le G; Jones ED; Smith JA; Coates JAV; Winfield LJ; Thienthong N; Newman J; Lucent D; Ryan JH; Savage GP; Francis CL; Deadman JJ, 2011, 'Structural basis for a new mechanism of inhibition of HIV-1 integrase identified by fragment screening and structure-based design', Antiviral Chemistry and Chemotherapy, 21, pp. 155 - 168, http://dx.doi.org/10.3851/IMP1716

Newman J; Pearce L; Lesburg CA; Strickland C; Peat TS, 2011, 'Crystallization of an apo form of human arginase: Using all the tools in the toolbox simultaneously', Acta Crystallographica Section F: Structural Biology and Crystallization Communications, 67, pp. 90 - 93, http://dx.doi.org/10.1107/S1744309110046208

Newman J, 2011, 'One plate, two plates, a thousand plates. How crystallisation changes with large numbers of samples', Methods, 55, pp. 73 - 80, http://dx.doi.org/10.1016/j.ymeth.2011.04.004

Ernberg K; McGrath AP; Peat TS; Adams TE; Xiao X; Pham T; Newman J; McDonald IA; Collyer CA; Guss JM, 2010, 'A new crystal form of human vascular adhesion protein 1', Acta Crystallographica Section F: Structural Biology and Crystallization Communications, 66, pp. 1572 - 1578, http://dx.doi.org/10.1107/S1744309110041515

Vallotton P; Sun C; Lovell D; Fazio VJ; Newman J, 2010, 'DroplIT, an improved image analysis method for droplet identification in high-throughput crystallization trials', Journal of Applied Crystallography, 43, pp. 1548 - 1552, http://dx.doi.org/10.1107/S0021889810040963

Taylor MC; Jackson CJ; Tattersall DB; French N; Peat TS; Newman J; Briggs LJ; Lapalikar GV; Campbell PM; Scott C; Russell RJ; Oakeshott JG, 2010, 'Identification and characterization of two families of F420H2-dependent reductases from Mycobacteria that catalyse aflatoxin degradation', Molecular Microbiology, 78, pp. 561 - 575, http://dx.doi.org/10.1111/j.1365-2958.2010.07356.x

Oakley AJ; Barrett S; Peat TS; Newman J; Streltsov VA; Waddington L; Saito T; Tashiro M; McKimm-Breschkin JL, 2010, 'Structural and functional basis of resistance to neuraminidase inhibitors of influenza B viruses', Journal of Medicinal Chemistry, 53, pp. 6421 - 6431, http://dx.doi.org/10.1021/jm100621s

Newman J; Fazio VJ; Lawson B; Peat TS, 2010, 'The C6 Web Tool: A resource for the rational selection of crystallization conditions', Crystal Growth and Design, 10, pp. 2785 - 2792, http://dx.doi.org/10.1021/cg1004209

Dransfield DT; Cohen EH; Chang Q; Sparrow LG; Bentley JD; Dolezal O; Xiao X; Peat TS; Newman J; Pilling PA; Phan T; Priebe I; Brierley GV; Kastrapeli N; Kopacz K; Martik D; Wassaf D; Rank D; Conley G; Huang Y; Adams TE; Cosgrove L, 2010, 'A human monoclonal antibody against insulin-like growth factor-II blocks the growth of human hepatocellular carcinoma cell lines in vitro and in vivo', Molecular Cancer Therapeutics, 9, pp. 1809 - 1819, http://dx.doi.org/10.1158/1535-7163.MCT-09-1134

Chhabra S; Newman J; Peat TS; Fernley RT; Caine J; Simpson JS; Swarbrick JD, 2010, 'Crystallization and preliminary X-ray analysis of 6 - Hydroxymethyl-7,8- dihydropterin pyrophosphokinase from Staphylococcus aureus', Acta Crystallographica Section F: Structural Biology and Crystallization Communications, 66, pp. 575 - 578, http://dx.doi.org/10.1107/S1744309110010857

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