Sort by
Items per page

Send to

Choose Destination

Search results

Items: 1 to 50 of 187


The architecture of EGFR's basal complexes reveals autoinhibition mechanisms in dimers and oligomers.

Zanetti-Domingues LC, Korovesis D, Needham SR, Tynan CJ, Sagawa S, Roberts SK, Kuzmanic A, Ortiz-Zapater E, Jain P, Roovers RC, Lajevardipour A, van Bergen En Henegouwen PMP, Santis G, Clayton AHA, Clarke DT, Gervasio FL, Shan Y, Shaw DE, Rolfe DJ, Parker PJ, Martin-Fernandez ML.

Nat Commun. 2018 Oct 18;9(1):4325. doi: 10.1038/s41467-018-06632-0.


Structural insights into binding specificity, efficacy and bias of a β2AR partial agonist.

Masureel M, Zou Y, Picard LP, van der Westhuizen E, Mahoney JP, Rodrigues JPGLM, Mildorf TJ, Dror RO, Shaw DE, Bouvier M, Pardon E, Steyaert J, Sunahara RK, Weis WI, Zhang C, Kobilka BK.

Nat Chem Biol. 2018 Nov;14(11):1059-1066. doi: 10.1038/s41589-018-0145-x. Epub 2018 Oct 16.


Treatable traits in the European U-BIOPRED adult asthma cohorts.

Simpson AJ, Hekking PP, Shaw DE, Fleming LJ, Roberts G, Riley JH, Bates S, Sousa AR, Bansal AT, Pandis I, Sun K, Bakke PS, Caruso M, Dahlén B, Dahlén SE, Horvath I, Krug N, Montuschi P, Sandstrom T, Singer F, Adcock IM, Wagers SS, Djukanovic R, Chung KF, Sterk PJ, Fowler SJ; U-BIOPRED Study Group.

Allergy. 2018 Oct 11. doi: 10.1111/all.13629. [Epub ahead of print] No abstract available.


Atomic-Level Description of Protein Folding inside the GroEL Cavity.

Piana S, Shaw DE.

J Phys Chem B. 2018 Oct 19. doi: 10.1021/acs.jpcb.8b07366. [Epub ahead of print]


Enhanced oxidative stress in smoking and ex-smoking severe asthma in the U-BIOPRED cohort.

Emma R, Bansal AT, Kolmert J, Wheelock CE, Dahlen SE, Loza MJ, De Meulder B, Lefaudeux D, Auffray C, Dahlen B, Bakke PS, Chanez P, Fowler SJ, Horvath I, Montuschi P, Krug N, Sanak M, Sandstrom T, Shaw DE, Fleming LJ, Djukanovic R, Howarth PH, Singer F, Sousa AR, Sterk PJ, Corfield J, Pandis I, Chung KF, Adcock IM, Lutter R, Fabbella L, Caruso M; U-BIOPRED Study Group.

PLoS One. 2018 Sep 21;13(9):e0203874. doi: 10.1371/journal.pone.0203874. eCollection 2018.


Entry from the Lipid Bilayer: A Possible Pathway for Inhibition of a Peptide G Protein-Coupled Receptor by a Lipophilic Small Molecule.

Bokoch MP, Jo H, Valcourt JR, Srinivasan Y, Pan AC, Capponi S, Grabe M, Dror RO, Shaw DE, DeGrado WF, Coughlin SR.

Biochemistry. 2018 Oct 2;57(39):5748-5758. doi: 10.1021/acs.biochem.8b00577. Epub 2018 Aug 27.


FeNO monitoring to adjust treatment in asthma: has it come of age?

Shaw DE.

Thorax. 2018 Dec;73(12):1095-1096. doi: 10.1136/thoraxjnl-2018-211761. Epub 2018 Aug 12. No abstract available.


Impact of straight to test pathways on time to diagnosis in oesophageal and gastric cancer.

Jones JA, Catton J, Howard G, Leeder P, Brewer L, Hatton J, Shaw DE.

BMJ Open Qual. 2018 Jul 21;7(3):e000328. doi: 10.1136/bmjoq-2018-000328. eCollection 2018.


Epithelial IL-6 trans-signaling defines a new asthma phenotype with increased airway inflammation.

Jevnikar Z, Östling J, Ax E, Calvén J, Thörn K, Israelsson E, Öberg L, Singhania A, Lau LCK, Wilson SJ, Ward JA, Chauhan A, Sousa AR, De Meulder B, Loza MJ, Baribaud F, Sterk PJ, Chung KF, Sun K, Guo Y, Adcock IM, Payne D, Dahlen B, Chanez P, Shaw DE, Krug N, Hohlfeld JM, Sandström T, Djukanovic R, James A, Hinks TSC, Howarth PH, Vaarala O, van Geest M, Olsson H; Unbiased Biomarkers in Prediction of Respiratory Disease Outcomes study group.

J Allergy Clin Immunol. 2018 Jun 11. pii: S0091-6749(18)30847-9. doi: 10.1016/j.jaci.2018.05.026. [Epub ahead of print]


Large-Scale Label-Free Quantitative Mapping of the Sputum Proteome.

Burg D, Schofield JPR, Brandsma J, Staykova D, Folisi C, Bansal A, Nicholas B, Xian Y, Rowe A, Corfield J, Wilson S, Ward J, Lutter R, Fleming L, Shaw DE, Bakke PS, Caruso M, Dahlen SE, Fowler SJ, Hashimoto S, Horváth I, Howarth P, Krug N, Montuschi P, Sanak M, Sandström T, Singer F, Sun K, Pandis I, Auffray C, Sousa AR, Adcock IM, Chung KF, Sterk PJ, Djukanović R, Skipp PJ, The U-Biopred Study Group.

J Proteome Res. 2018 Jun 1;17(6):2072-2091. doi: 10.1021/acs.jproteome.8b00018. Epub 2018 May 23.


Developing a molecular dynamics force field for both folded and disordered protein states.

Robustelli P, Piana S, Shaw DE.

Proc Natl Acad Sci U S A. 2018 May 22;115(21):E4758-E4766. doi: 10.1073/pnas.1800690115. Epub 2018 May 7.


Mechanism of NMDA receptor channel block by MK-801 and memantine.

Song X, Jensen MØ, Jogini V, Stein RA, Lee CH, Mchaourab HS, Shaw DE, Gouaux E.

Nature. 2018 Apr;556(7702):515-519. doi: 10.1038/s41586-018-0039-9. Epub 2018 Apr 18.


Sputum proteomics and airway cell transcripts of current and ex-smokers with severe asthma in U-BIOPRED: an exploratory analysis.

Takahashi K, Pavlidis S, Ng Kee Kwong F, Hoda U, Rossios C, Sun K, Loza M, Baribaud F, Chanez P, Fowler SJ, Horvath I, Montuschi P, Singer F, Musial J, Dahlen B, Dahlen SE, Krug N, Sandstrom T, Shaw DE, Lutter R, Bakke P, Fleming LJ, Howarth PH, Caruso M, Sousa AR, Corfield J, Auffray C, De Meulder B, Lefaudeux D, Djukanovic R, Sterk PJ, Guo Y, Adcock IM, Chung KF; , on behalf of the U-BIOPRED study group.

Eur Respir J. 2018 May 3;51(5). pii: 1702173. doi: 10.1183/13993003.02173-2017. Print 2018 May.


RNA force field with accuracy comparable to state-of-the-art protein force fields.

Tan D, Piana S, Dirks RM, Shaw DE.

Proc Natl Acad Sci U S A. 2018 Feb 13;115(7):E1346-E1355. doi: 10.1073/pnas.1713027115. Epub 2018 Jan 29.


A randomised pragmatic trial of corticosteroid optimization in severe asthma using a composite biomarker algorithm to adjust corticosteroid dose versus standard care: study protocol for a randomised trial.

Hanratty CE, Matthews JG, Arron JR, Choy DF, Pavord ID, Bradding P, Brightling CE, Chaudhuri R, Cowan DC, Djukanovic R, Gallagher N, Fowler SJ, Hardman TC, Harrison T, Holweg CT, Howarth PH, Lordan J, Mansur AH, Menzies-Gow A, Mosesova S, Niven RM, Robinson DS, Shaw DE, Walker S, Woodcock A, Heaney LG; RASP-UK (Refractory Asthma Stratification Programme) Consortium.

Trials. 2018 Jan 4;19(1):5. doi: 10.1186/s13063-017-2384-7.


Accurate identification of hospital admissions from care homes; development and validation of an automated algorithm.

Housley G, Lewis S, Usman A, Gordon AL, Shaw DE.

Age Ageing. 2018 May 1;47(3):387-391. doi: 10.1093/ageing/afx182.


Improving the accuracy of Møller-Plesset perturbation theory with neural networks.

McGibbon RT, Taube AG, Donchev AG, Siva K, Hernández F, Hargus C, Law KH, Klepeis JL, Shaw DE.

J Chem Phys. 2017 Oct 28;147(16):161725. doi: 10.1063/1.4986081.


Transcriptomic gene signatures associated with persistent airflow limitation in patients with severe asthma.

Hekking PP, Loza MJ, Pavlidis S, De Meulder B, Lefaudeux D, Baribaud F, Auffray C, Wagener AH, Brinkman P, Lutter R, Bansal AT, Sousa AR, Bates SA, Pandis I, Fleming LJ, Shaw DE, Fowler SJ, Guo Y, Meiser A, Sun K, Corfield J, Howarth P, Bel EH, Adcock IM, Chung KF, Djukanovic R, Sterk PJ; U-BIOPRED Study Group.

Eur Respir J. 2017 Sep 27;50(3). pii: 1602298. doi: 10.1183/13993003.02298-2016. Print 2017 Sep.


Atomic structure of a toxic, oligomeric segment of SOD1 linked to amyotrophic lateral sclerosis (ALS).

Sangwan S, Zhao A, Adams KL, Jayson CK, Sawaya MR, Guenther EL, Pan AC, Ngo J, Moore DM, Soriaga AB, Do TD, Goldschmidt L, Nelson R, Bowers MT, Koehler CM, Shaw DE, Novitch BG, Eisenberg DS.

Proc Natl Acad Sci U S A. 2017 Aug 15;114(33):8770-8775. doi: 10.1073/pnas.1705091114. Epub 2017 Jul 31.


Pathway discovery using transcriptomic profiles in adult-onset severe asthma.

Hekking PP, Loza MJ, Pavlidis S, de Meulder B, Lefaudeux D, Baribaud F, Auffray C, Wagener AH, Brinkman P Ir, Lutter R Ir, Bansal AT, Sousa AR, Bates SA, Pandis Y, Fleming LJ, Shaw DE, Fowler SJ, Guo Y, Meiser A, Sun K, Corfield J, Howarth PH, Bel EH, Adcock IM, Chung KF, Djukanovic R, Sterk PJ; U-BIOPRED Study Group.

J Allergy Clin Immunol. 2018 Apr;141(4):1280-1290. doi: 10.1016/j.jaci.2017.06.037. Epub 2017 Jul 26.


Interactions between β2-Adrenoceptor Ligands and Membrane: Atomic-Level Insights from Magic-Angle Spinning NMR.

Yan S, Shaw DE, Yang L, Sandham DA, Healy MP, Reilly J, Wang B.

J Med Chem. 2017 Aug 24;60(16):6867-6879. doi: 10.1021/acs.jmedchem.7b00205. Epub 2017 Aug 4.


Comparable reductions in hyperpnoea-induced bronchoconstriction and markers of airway inflammation after supplementation with 6·2 and 3·1 g/d of long-chain n-3 PUFA in adults with asthma.

Williams NC, Hunter KA, Shaw DE, Jackson KG, Sharpe GR, Johnson MA.

Br J Nutr. 2017 May;117(10):1379-1389. doi: 10.1017/S0007114517001246. Epub 2017 Jun 13.


Quantitative Characterization of the Binding and Unbinding of Millimolar Drug Fragments with Molecular Dynamics Simulations.

Pan AC, Xu H, Palpant T, Shaw DE.

J Chem Theory Comput. 2017 Jul 11;13(7):3372-3377. doi: 10.1021/acs.jctc.7b00172. Epub 2017 Jun 21.


Matrix Metalloproteinase-1 Activation Contributes to Airway Smooth Muscle Growth and Asthma Severity.

Naveed SU, Clements D, Jackson DJ, Philp C, Billington CK, Soomro I, Reynolds C, Harrison TW, Johnston SL, Shaw DE, Johnson SR.

Am J Respir Crit Care Med. 2017 Apr 15;195(8):1000-1009. doi: 10.1164/rccm.201604-0822OC.


EGFR oligomerization organizes kinase-active dimers into competent signalling platforms.

Needham SR, Roberts SK, Arkhipov A, Mysore VP, Tynan CJ, Zanetti-Domingues LC, Kim ET, Losasso V, Korovesis D, Hirsch M, Rolfe DJ, Clarke DT, Winn MD, Lajevardipour A, Clayton AH, Pike LJ, Perani M, Parker PJ, Shan Y, Shaw DE, Martin-Fernandez ML.

Nat Commun. 2016 Oct 31;7:13307. doi: 10.1038/ncomms13307.


U-BIOPRED clinical adult asthma clusters linked to a subset of sputum omics.

Lefaudeux D, De Meulder B, Loza MJ, Peffer N, Rowe A, Baribaud F, Bansal AT, Lutter R, Sousa AR, Corfield J, Pandis I, Bakke PS, Caruso M, Chanez P, Dahlén SE, Fleming LJ, Fowler SJ, Horvath I, Krug N, Montuschi P, Sanak M, Sandstrom T, Shaw DE, Singer F, Sterk PJ, Roberts G, Adcock IM, Djukanovic R, Auffray C, Chung KF; U-BIOPRED Study Group.

J Allergy Clin Immunol. 2017 Jun;139(6):1797-1807. doi: 10.1016/j.jaci.2016.08.048. Epub 2016 Oct 20.


Step 4: stick or twist? A review of asthma therapy.

Slater MG, Pavord ID, Shaw DE.

BMJ Open Respir Res. 2016 Sep 5;3(1):e000143. doi: 10.1136/bmjresp-2016-000143. eCollection 2016.


Evaluation of the PPAR-γ Agonist Pioglitazone in Mild Asthma: A Double-Blind Randomized Controlled Trial.

Anderson JR, Mortimer K, Pang L, Smith KM, Bailey H, Hodgson DB, Shaw DE, Knox AJ, Harrison TW.

PLoS One. 2016 Aug 25;11(8):e0160257. doi: 10.1371/journal.pone.0160257. eCollection 2016.


A prebiotic galactooligosaccharide mixture reduces severity of hyperpnoea-induced bronchoconstriction and markers of airway inflammation.

Williams NC, Johnson MA, Shaw DE, Spendlove I, Vulevic J, Sharpe GR, Hunter KA.

Br J Nutr. 2016 Sep;116(5):798-804. doi: 10.1017/S0007114516002762.


Assessment of a rapid liquid-based cytology method for measuring sputum cell counts.

Martin MJ, Lee H, Meakin G, Green A, Simms RL, Reynolds C, Winters S, Shaw DE, Soomro I, Harrison TW.

Thorax. 2016 Dec;71(12):1163-1164. doi: 10.1136/thoraxjnl-2016-208817. Epub 2016 Aug 8.


Optimization of Platelet-Derived Growth Factor Receptor (PDGFR) Inhibitors for Duration of Action, as an Inhaled Therapy for Lung Remodeling in Pulmonary Arterial Hypertension.

Shaw DE, Baig F, Bruce I, Chamoin S, Collingwood SP, Cross S, Dayal S, Drückes P, Furet P, Furminger V, Haggart D, Hussey M, Konstantinova I, Loren JC, Molteni V, Roberts S, Reilly J, Saunders AM, Stringer R, Sviridenko L, Thomas M, Thomson CG, Tomlins C, Wen B, Yeh V, Pearce AC.

J Med Chem. 2016 Sep 8;59(17):7901-14. doi: 10.1021/acs.jmedchem.6b00703. Epub 2016 Aug 19.


Picosecond to Millisecond Structural Dynamics in Human Ubiquitin.

Lindorff-Larsen K, Maragakis P, Piana S, Shaw DE.

J Phys Chem B. 2016 Aug 25;120(33):8313-20. doi: 10.1021/acs.jpcb.6b02024. Epub 2016 May 9.


The utility of exhaled nitric oxide in patients with suspected asthma.

Martin MJ, Wilson E, Gerrard-Tarpey W, Meakin G, Hearson G, McKeever TM, Shaw DE, Harrison TW.

Thorax. 2016 Jun;71(6):562-4. doi: 10.1136/thoraxjnl-2015-208014. Epub 2016 Feb 22.


Molecular Basis of Ligand Dissociation from the Adenosine A2A Receptor.

Guo D, Pan AC, Dror RO, Mocking T, Liu R, Heitman LH, Shaw DE, IJzerman AP.

Mol Pharmacol. 2016 May;89(5):485-91. doi: 10.1124/mol.115.102657. Epub 2016 Feb 12.


Demonstrating an Order-of-Magnitude Sampling Enhancement in Molecular Dynamics Simulations of Complex Protein Systems.

Pan AC, Weinreich TM, Piana S, Shaw DE.

J Chem Theory Comput. 2016 Mar 8;12(3):1360-7. doi: 10.1021/acs.jctc.5b00913. Epub 2016 Feb 24.


The challenge of measuring IL-33 in serum using commercial ELISA: lessons from asthma.

Ketelaar ME, Nawijn MC, Shaw DE, Koppelman GH, Sayers I.

Clin Exp Allergy. 2016 Jun;46(6):884-7. doi: 10.1111/cea.12718.


A Simple Model of Multivalent Adhesion and Its Application to Influenza Infection.

Xu H, Shaw DE.

Biophys J. 2016 Jan 5;110(1):218-33. doi: 10.1016/j.bpj.2015.10.045.


Using venous blood gas analysis in the assessment of COPD exacerbations: a prospective cohort study.

McKeever TM, Hearson G, Housley G, Reynolds C, Kinnear W, Harrison TW, Kelly AM, Shaw DE.

Thorax. 2016 Mar;71(3):210-5. doi: 10.1136/thoraxjnl-2015-207573. Epub 2015 Dec 1.


Investigating lung responses with functional hyperpolarized xenon-129 MRI in an ex vivo rat model of asthma.

Lilburn DM, Tatler AL, Six JS, Lesbats C, Habgood A, Porte J, Hughes-Riley T, Shaw DE, Jenkins G, Meersmann T.

Magn Reson Med. 2016 Oct;76(4):1224-35. doi: 10.1002/mrm.26003. Epub 2015 Oct 28.


Structural origin of slow diffusion in protein folding.

Chung HS, Piana-Agostinetti S, Shaw DE, Eaton WA.

Science. 2015 Sep 25;349(6255):1504-10. doi: 10.1126/science.aab1369.


Clinical and inflammatory characteristics of the European U-BIOPRED adult severe asthma cohort.

Shaw DE, Sousa AR, Fowler SJ, Fleming LJ, Roberts G, Corfield J, Pandis I, Bansal AT, Bel EH, Auffray C, Compton CH, Bisgaard H, Bucchioni E, Caruso M, Chanez P, Dahlén B, Dahlen SE, Dyson K, Frey U, Geiser T, Gerhardsson de Verdier M, Gibeon D, Guo YK, Hashimoto S, Hedlin G, Jeyasingham E, Hekking PP, Higenbottam T, Horváth I, Knox AJ, Krug N, Erpenbeck VJ, Larsson LX, Lazarinis N, Matthews JG, Middelveld R, Montuschi P, Musial J, Myles D, Pahus L, Sandström T, Seibold W, Singer F, Strandberg K, Vestbo J, Vissing N, von Garnier C, Adcock IM, Wagers S, Rowe A, Howarth P, Wagener AH, Djukanovic R, Sterk PJ, Chung KF; U-BIOPRED Study Group.

Eur Respir J. 2015 Nov;46(5):1308-21. doi: 10.1183/13993003.00779-2015. Epub 2015 Sep 10. Erratum in: Eur Respir J. 2017 Jun 22;49(6):.


Allosteric activation of apicomplexan calcium-dependent protein kinases.

Ingram JR, Knockenhauer KE, Markus BM, Mandelbaum J, Ramek A, Shan Y, Shaw DE, Schwartz TU, Ploegh HL, Lourido S.

Proc Natl Acad Sci U S A. 2015 Sep 8;112(36):E4975-84. doi: 10.1073/pnas.1505914112. Epub 2015 Aug 24.


Assessment of the utility of contact-based restraints in accelerating the prediction of protein structure using molecular dynamics simulations.

Raval A, Piana S, Eastwood MP, Shaw DE.

Protein Sci. 2016 Jan;25(1):19-29. doi: 10.1002/pro.2770. Epub 2015 Aug 30.


SIGNAL TRANSDUCTION. Structural basis for nucleotide exchange in heterotrimeric G proteins.

Dror RO, Mildorf TJ, Hilger D, Manglik A, Borhani DW, Arlow DH, Philippsen A, Villanueva N, Yang Z, Lerch MT, Hubbell WL, Kobilka BK, Sunahara RK, Shaw DE.

Science. 2015 Jun 19;348(6241):1361-5. doi: 10.1126/science.aaa5264.


Identifying localized changes in large systems: Change-point detection for biomolecular simulations.

Fan Z, Dror RO, Mildorf TJ, Piana S, Shaw DE.

Proc Natl Acad Sci U S A. 2015 Jun 16;112(24):7454-9. doi: 10.1073/pnas.1415846112. Epub 2015 May 29.


Hyperpolarized 83Kr magnetic resonance imaging of alveolar degradation in a rat model of emphysema.

Lilburn DM, Lesbats C, Six JS, Dubuis E, Yew-Booth L, Shaw DE, Belvisi MG, Birrell MA, Pavlovskaya GE, Meersmann T.

J R Soc Interface. 2015 Jun 6;12(107). pii: 20150192. doi: 10.1098/rsif.2015.0192.


Interaction Networks in Protein Folding via Atomic-Resolution Experiments and Long-Time-Scale Molecular Dynamics Simulations.

Sborgi L, Verma A, Piana S, Lindorff-Larsen K, Cerminara M, Santiveri CM, Shaw DE, de Alba E, Muñoz V.

J Am Chem Soc. 2015 May 27;137(20):6506-16. doi: 10.1021/jacs.5b02324. Epub 2015 May 12.


Water dispersion interactions strongly influence simulated structural properties of disordered protein states.

Piana S, Donchev AG, Robustelli P, Shaw DE.

J Phys Chem B. 2015 Apr 23;119(16):5113-23. doi: 10.1021/jp508971m. Epub 2015 Apr 13.


A dynamically coupled allosteric network underlies binding cooperativity in Src kinase.

Foda ZH, Shan Y, Kim ET, Shaw DE, Seeliger MA.

Nat Commun. 2015 Jan 20;6:5939. doi: 10.1038/ncomms6939.

Supplemental Content

Support Center