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Items: 1 to 50 of 55

1.

Thrombin-derived C-terminal fragments aggregate and scavenge bacteria and their proinflammatory products.

Petrlova J, Petruk G, Huber RG, McBurnie EW, van der Plas MJA, Bond PJ, Puthia M, Schmidtchen A.

J Biol Chem. 2020 Feb 7. pii: jbc.RA120.012741. doi: 10.1074/jbc.RA120.012741. [Epub ahead of print]

2.

Multiscale modelling and simulation of viruses.

Marzinek JK, Huber RG, Bond PJ.

Curr Opin Struct Biol. 2020 Jan 25;61:146-152. doi: 10.1016/j.sbi.2019.12.019. [Epub ahead of print] Review.

PMID:
31991326
3.

Flavivirus Cross-Reactivity to Dengue Nonstructural Protein 1 Antigen Detection Assays.

Tan LK, Wong WY, Yang HT, Huber RG, Bond PJ, Ng LC, Maurer-Stroh S, Hapuarachchi HC.

Diagnostics (Basel). 2019 Dec 24;10(1). pii: E11. doi: 10.3390/diagnostics10010011.

4.

On the ion coupling mechanism of the MATE transporter ClbM.

Krah A, Huber RG, Zachariae U, Bond PJ.

Biochim Biophys Acta Biomembr. 2020 Feb 1;1862(2):183137. doi: 10.1016/j.bbamem.2019.183137. Epub 2019 Nov 28.

PMID:
31786188
5.

Alpha-Carbonic Acid Revisited: Carbonic Acid Monomethyl Ester as a Solid and its Conformational Isomerism in the Gas Phase.

Köck EM, Bernard J, Podewitz M, Dinu DF, Huber RG, Liedl KR, Grothe H, Bertel E, Schlögl R, Loerting T.

Chemistry. 2020 Jan 2;26(1):285-305. doi: 10.1002/chem.201904142. Epub 2019 Nov 26.

6.

Linker length affects photostability of protein-targeted sensor of cellular microviscosity.

Kubánková M, Chambers JE, Huber RG, Bond PJ, Marciniak SJ, Kuimova MK.

Methods Appl Fluoresc. 2019 Oct 10;7(4):044004. doi: 10.1088/2050-6120/ab481f.

PMID:
31557750
7.

BRAF inhibitors promote intermediate BRAF(V600E) conformations and binary interactions with activated RAS.

Röck R, Mayrhofer JE, Torres-Quesada O, Enzler F, Raffeiner A, Raffeiner P, Feichtner A, Huber RG, Koide S, Taylor SS, Troppmair J, Stefan E.

Sci Adv. 2019 Aug 14;5(8):eaav8463. doi: 10.1126/sciadv.aav8463. eCollection 2019 Aug.

8.

Multiscale modeling of innate immune receptors: Endotoxin recognition and regulation by host defense peptides.

Holdbrook DA, Huber RG, Marzinek JK, Stubbusch A, Schmidtchen A, Bond PJ.

Pharmacol Res. 2019 Sep;147:104372. doi: 10.1016/j.phrs.2019.104372. Epub 2019 Jul 24. Review.

PMID:
31351116
9.

Multiscale Modeling and Simulation Approaches to Lipid-Protein Interactions.

Huber RG, Carpenter TS, Dube N, Holdbrook DA, Ingólfsson HI, Irvine WA, Marzinek JK, Samsudin F, Allison JR, Khalid S, Bond PJ.

Methods Mol Biol. 2019;2003:1-30. doi: 10.1007/978-1-4939-9512-7_1.

PMID:
31218611
10.

Structure and subunit arrangement of Mycobacterial F1FO ATP synthase and novel features of the unique mycobacterial subunit δ.

Kamariah N, Huber RG, Nartey W, Bhushan S, Bond PJ, Grüber G.

J Struct Biol. 2019 Aug 1;207(2):199-208. doi: 10.1016/j.jsb.2019.05.008. Epub 2019 May 24.

PMID:
31132404
11.

Structure mapping of dengue and Zika viruses reveals functional long-range interactions.

Huber RG, Lim XN, Ng WC, Sim AYL, Poh HX, Shen Y, Lim SY, Sundstrom KB, Sun X, Aw JG, Too HK, Boey PH, Wilm A, Chawla T, Choy MM, Jiang L, de Sessions PF, Loh XJ, Alonso S, Hibberd M, Nagarajan N, Ooi EE, Bond PJ, Sessions OM, Wan Y.

Nat Commun. 2019 Mar 29;10(1):1408. doi: 10.1038/s41467-019-09391-8.

12.

Directing GDNF-mediated neuronal signaling with proactively programmable cell-surface saccharide-free glycosaminoglycan mimetics.

Cai S, Lukamto DH, Toh JKC, Huber RG, Bond PJ, Jee JE, Lim TC, Liu P, Chen L, Qu QV, Lee SS, Lee SG.

Chem Commun (Camb). 2019 Jan 24;55(9):1259-1262. doi: 10.1039/c8cc09253b.

PMID:
30632548
13.

Energetic Fingerprinting of Ligand Binding to Paralogous Proteins: The Case of the Apoptotic Pathway.

Ivanov SM, Huber RG, Alibay I, Warwicker J, Bond PJ.

J Chem Inf Model. 2019 Jan 28;59(1):245-261. doi: 10.1021/acs.jcim.8b00765. Epub 2019 Jan 9.

PMID:
30582811
14.

Engineering an Osmosensor by Pivotal Histidine Positioning within Disordered Helices.

Ghosh M, Wang LC, Huber RG, Gao Y, Morgan LK, Tulsian NK, Bond PJ, Kenney LJ, Anand GS.

Structure. 2019 Feb 5;27(2):302-314.e4. doi: 10.1016/j.str.2018.10.012. Epub 2018 Nov 29.

15.

Facile saccharide-free mimetics that recapitulate key features of glycosaminoglycan sulfation patterns.

Lim TC, Cai S, Huber RG, Bond PJ, Siew Chia PX, Khou SL, Gao S, Lee SS, Lee SG.

Chem Sci. 2018 Aug 24;9(41):7940-7947. doi: 10.1039/c8sc02303d. eCollection 2018 Nov 7.

16.

A Funneled Conformational Landscape Governs Flavivirus Fusion Peptide Interaction with Lipid Membranes.

Marzinek JK, Bag N, Huber RG, Holdbrook DA, Wohland T, Verma CS, Bond PJ.

J Chem Theory Comput. 2018 Jul 10;14(7):3920-3932. doi: 10.1021/acs.jctc.8b00438. Epub 2018 Jun 20.

PMID:
29874075
17.

Partial Intrinsic Disorder Governs the Dengue Capsid Protein Conformational Ensemble.

Boon PLS, Saw WG, Lim XX, Raghuvamsi PV, Huber RG, Marzinek JK, Holdbrook DA, Anand GS, Grüber G, Bond PJ.

ACS Chem Biol. 2018 Jun 15;13(6):1621-1630. doi: 10.1021/acschembio.8b00231. Epub 2018 Jun 5.

PMID:
29792674
18.

A Thermodynamic Funnel Drives Bacterial Lipopolysaccharide Transfer in the TLR4 Pathway.

Huber RG, Berglund NA, Kargas V, Marzinek JK, Holdbrook DA, Khalid S, Piggot TJ, Schmidtchen A, Bond PJ.

Structure. 2018 Aug 7;26(8):1151-1161.e4. doi: 10.1016/j.str.2018.04.007. Epub 2018 May 17.

19.

An Optical Technique for Mapping Microviscosity Dynamics in Cellular Organelles.

Chambers JE, Kubánková M, Huber RG, López-Duarte I, Avezov E, Bond PJ, Marciniak SJ, Kuimova MK.

ACS Nano. 2018 May 22;12(5):4398-4407. doi: 10.1021/acsnano.8b00177. Epub 2018 Apr 18.

20.

Protein-protein interactions in paralogues: Electrostatics modulates specificity on a conserved steric scaffold.

Ivanov SM, Cawley A, Huber RG, Bond PJ, Warwicker J.

PLoS One. 2017 Oct 10;12(10):e0185928. doi: 10.1371/journal.pone.0185928. eCollection 2017.

21.

Systematic analysis of protein identity between Zika virus and other arthropod-borne viruses.

Chang HH, Huber RG, Bond PJ, Grad YH, Camerini D, Maurer-Stroh S, Lipsitch M.

Bull World Health Organ. 2017 Jul 1;95(7):517-525I. doi: 10.2471/BLT.16.182105. Epub 2016 Jul 18.

22.

A Spring-Loaded Mechanism Governs the Clamp-like Dynamics of the Skp Chaperone.

Holdbrook DA, Burmann BM, Huber RG, Petoukhov MV, Svergun DI, Hiller S, Bond PJ.

Structure. 2017 Jul 5;25(7):1079-1088.e3. doi: 10.1016/j.str.2017.05.018. Epub 2017 Jun 22.

23.

Carbonic acid monoethyl ester as a pure solid and its conformational isomerism in the gas-phase.

Bernard J, Köck EM, Huber RG, Liedl KR, Call L, Schlögl R, Grothe H, Loerting T.

RSC Adv. 2017 Apr 21;7(36):22222-22233. doi: 10.1039/c7ra02792c.

24.

Aggregation of thrombin-derived C-terminal fragments as a previously undisclosed host defense mechanism.

Petrlova J, Hansen FC, van der Plas MJA, Huber RG, Mörgelin M, Malmsten M, Bond PJ, Schmidtchen A.

Proc Natl Acad Sci U S A. 2017 May 23;114(21):E4213-E4222. doi: 10.1073/pnas.1619609114. Epub 2017 May 4.

25.

Cross-reactive dengue human monoclonal antibody prevents severe pathologies and death from Zika virus infections.

Kam YW, Lee CY, Teo TH, Howland SW, Amrun SN, Lum FM, See P, Kng NQ, Huber RG, Xu MH, Tan HL, Choo A, Maurer-Stroh S, Ginhoux F, Fink K, Wang CI, Ng LF, Rénia L.

JCI Insight. 2017 Apr 20;2(8). pii: 92428. doi: 10.1172/jci.insight.92428. eCollection 2017 Apr 20.

26.

Binding Pose Flip Explained via Enthalpic and Entropic Contributions.

Schauperl M, Czodrowski P, Fuchs JE, Huber RG, Waldner BJ, Podewitz M, Kramer C, Liedl KR.

J Chem Inf Model. 2017 Feb 27;57(2):345-354. doi: 10.1021/acs.jcim.6b00483. Epub 2017 Feb 1.

27.

Energetics and Dynamics Across the Bcl-2-Regulated Apoptotic Pathway Reveal Distinct Evolutionary Determinants of Specificity and Affinity.

Ivanov SM, Huber RG, Warwicker J, Bond PJ.

Structure. 2016 Nov 1;24(11):2024-2033. doi: 10.1016/j.str.2016.09.006. Epub 2016 Oct 20.

28.

Impairing Cohesin Smc1/3 Head Engagement Compensates for the Lack of Eco1 Function.

Huber RG, Kulemzina I, Ang K, Chavda AP, Suranthran S, Teh JT, Kenanov D, Liu G, Rancati G, Szmyd R, Kaldis P, Bond PJ, Ivanov D.

Structure. 2016 Nov 1;24(11):1991-1999. doi: 10.1016/j.str.2016.09.001. Epub 2016 Sep 29.

29.

Multiscale molecular dynamics simulation approaches to the structure and dynamics of viruses.

Huber RG, Marzinek JK, Holdbrook DA, Bond PJ.

Prog Biophys Mol Biol. 2017 Sep;128:121-132. doi: 10.1016/j.pbiomolbio.2016.09.010. Epub 2016 Oct 17. Review.

PMID:
27765545
30.

Hydrocarbons Are Essential for Optimal Cell Size, Division, and Growth of Cyanobacteria.

Lea-Smith DJ, Ortiz-Suarez ML, Lenn T, Nürnberg DJ, Baers LL, Davey MP, Parolini L, Huber RG, Cotton CA, Mastroianni G, Bombelli P, Ungerer P, Stevens TJ, Smith AG, Bond PJ, Mullineaux CW, Howe CJ.

Plant Physiol. 2016 Nov;172(3):1928-1940. Epub 2016 Oct 5.

31.

South-east Asian Zika virus strain linked to cluster of cases in Singapore, August 2016.

Maurer-Stroh S, Mak TM, Ng YK, Phuah SP, Huber RG, Marzinek JK, Holdbrook DA, Lee RT, Cui L, Lin RT.

Euro Surveill. 2016 Sep 22;21(38). doi: 10.2807/1560-7917.ES.2016.21.38.30347.

32.

A Reversible Association between Smc Coiled Coils Is Regulated by Lysine Acetylation and Is Required for Cohesin Association with the DNA.

Kulemzina I, Ang K, Zhao X, Teh JT, Verma V, Suranthran S, Chavda AP, Huber RG, Eisenhaber B, Eisenhaber F, Yan J, Ivanov D.

Mol Cell. 2016 Sep 15;63(6):1044-54. doi: 10.1016/j.molcel.2016.08.008. Epub 2016 Sep 8.

33.

Pushing the Envelope: Dengue Viral Membrane Coaxed into Shape by Molecular Simulations.

Marzinek JK, Holdbrook DA, Huber RG, Verma C, Bond PJ.

Structure. 2016 Aug 2;24(8):1410-1420. doi: 10.1016/j.str.2016.05.014. Epub 2016 Jul 7.

34.

Dynamics of Crowded Vesicles: Local and Global Responses to Membrane Composition.

Holdbrook DA, Huber RG, Piggot TJ, Bond PJ, Khalid S.

PLoS One. 2016 Jun 16;11(6):e0156963. doi: 10.1371/journal.pone.0156963. eCollection 2016.

35.

praja2 regulates KSR1 stability and mitogenic signaling.

Rinaldi L, Delle Donne R, Sepe M, Porpora M, Garbi C, Chiuso F, Gallo A, Parisi S, Russo L, Bachmann V, Huber RG, Stefan E, Russo T, Feliciello A.

Cell Death Dis. 2016 May 19;7:e2230. doi: 10.1038/cddis.2016.109.

36.

Chlorophyll Catabolites in Fall Leaves of the Wych Elm Tree Present a Novel Glycosylation Motif.

Scherl M, Müller T, Kreutz CR, Huber RG, Zass E, Liedl KR, Kräutler B.

Chemistry. 2016 Jul 4;22(28):9498-503. doi: 10.1002/chem.201601739. Epub 2016 Jun 6.

37.

Characterizing the Conformational Landscape of Flavivirus Fusion Peptides via Simulation and Experiment.

Marzinek JK, Lakshminarayanan R, Goh E, Huber RG, Panzade S, Verma C, Bond PJ.

Sci Rep. 2016 Jan 20;6:19160. doi: 10.1038/srep19160.

38.

Quantitative Correlation of Conformational Binding Enthalpy with Substrate Specificity of Serine Proteases.

Waldner BJ, Fuchs JE, Huber RG, von Grafenstein S, Schauperl M, Kramer C, Liedl KR.

J Phys Chem B. 2016 Jan 21;120(2):299-308. doi: 10.1021/acs.jpcb.5b10637. Epub 2016 Jan 11.

39.

Independent Metrics for Protein Backbone and Side-Chain Flexibility: Time Scales and Effects of Ligand Binding.

Fuchs JE, Waldner BJ, Huber RG, von Grafenstein S, Kramer C, Liedl KR.

J Chem Theory Comput. 2015 Mar 10;11(3):851-60. doi: 10.1021/ct500633u. Epub 2015 Feb 24.

PMID:
26579739
40.

Characterizing Protease Specificity: How Many Substrates Do We Need?

Schauperl M, Fuchs JE, Waldner BJ, Huber RG, Kramer C, Liedl KR.

PLoS One. 2015 Nov 11;10(11):e0142658. doi: 10.1371/journal.pone.0142658. eCollection 2015.

41.

Dynamics Govern Specificity of a Protein-Protein Interface: Substrate Recognition by Thrombin.

Fuchs JE, Huber RG, Waldner BJ, Kahler U, von Grafenstein S, Kramer C, Liedl KR.

PLoS One. 2015 Oct 23;10(10):e0140713. doi: 10.1371/journal.pone.0140713. eCollection 2015.

42.

The Structural Basis for Activation and Inhibition of ZAP-70 Kinase Domain.

Huber RG, Fan H, Bond PJ.

PLoS Comput Biol. 2015 Oct 16;11(10):e1004560. doi: 10.1371/journal.pcbi.1004560. eCollection 2015 Oct.

43.

Understanding dengue virus capsid protein disordered N-Terminus and pep14-23-based inhibition.

Faustino AF, Guerra GM, Huber RG, Hollmann A, Domingues MM, Barbosa GM, Enguita FJ, Bond PJ, Castanho MA, Da Poian AT, Almeida FC, Santos NC, Martins IC.

ACS Chem Biol. 2015 Feb 20;10(2):517-26. doi: 10.1021/cb500640t. Epub 2014 Nov 20.

PMID:
25412346
44.

Intrinsic flexibility of NLRP pyrin domains is a key factor in their conformational dynamics, fold stability, and dimerization.

Huber RG, Eibl C, Fuchs JE.

Protein Sci. 2015 Feb;24(2):174-81. doi: 10.1002/pro.2601. Epub 2014 Dec 26.

45.

Heteroaromatic π-stacking energy landscapes.

Huber RG, Margreiter MA, Fuchs JE, von Grafenstein S, Tautermann CS, Liedl KR, Fox T.

J Chem Inf Model. 2014 May 27;54(5):1371-9. doi: 10.1021/ci500183u. Epub 2014 May 9.

46.

Interface dynamics explain assembly dependency of influenza neuraminidase catalytic activity.

von Grafenstein S, Wallnoefer HG, Kirchmair J, Fuchs JE, Huber RG, Schmidtke M, Sauerbrei A, Rollinger JM, Liedl KR.

J Biomol Struct Dyn. 2015;33(1):104-20. doi: 10.1080/07391102.2013.855142. Epub 2013 Nov 27.

47.

Substrate-driven mapping of the degradome by comparison of sequence logos.

Fuchs JE, von Grafenstein S, Huber RG, Kramer C, Liedl KR.

PLoS Comput Biol. 2013;9(11):e1003353. doi: 10.1371/journal.pcbi.1003353. Epub 2013 Nov 14.

48.

Specificity of a protein-protein interface: local dynamics direct substrate recognition of effector caspases.

Fuchs JE, von Grafenstein S, Huber RG, Wallnoefer HG, Liedl KR.

Proteins. 2014 Apr;82(4):546-55. doi: 10.1002/prot.24417. Epub 2013 Oct 19. Erratum in: Proteins. 2014 Oct;82(10):2887.

49.

A novel paramagnetic relaxation enhancement tag for nucleic acids: a tool to study structure and dynamics of RNA.

Wunderlich CH, Huber RG, Spitzer R, Liedl KR, Kloiber K, Kreutz C.

ACS Chem Biol. 2013 Dec 20;8(12):2697-706. doi: 10.1021/cb400589q. Epub 2013 Oct 4.

50.

Reciprocal regulation of PKA and Rac signaling.

Bachmann VA, Riml A, Huber RG, Baillie GS, Liedl KR, Valovka T, Stefan E.

Proc Natl Acad Sci U S A. 2013 May 21;110(21):8531-6. doi: 10.1073/pnas.1215902110. Epub 2013 May 8.

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