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Items: 15

1.

Mechanism of the allosteric activation of the ClpP protease machinery by substrates and active-site inhibitors.

Felix J, Weinhäupl K, Chipot C, Dehez F, Hessel A, Gauto DF, Morlot C, Abian O, Gutsche I, Velazquez-Campoy A, Schanda P, Fraga H.

Sci Adv. 2019 Sep 4;5(9):eaaw3818. doi: 10.1126/sciadv.aaw3818. eCollection 2019 Sep.

2.

Integrated NMR and cryo-EM atomic-resolution structure determination of a half-megadalton enzyme complex.

Gauto DF, Estrozi LF, Schwieters CD, Effantin G, Macek P, Sounier R, Sivertsen AC, Schmidt E, Kerfah R, Mas G, Colletier JP, Güntert P, Favier A, Schoehn G, Schanda P, Boisbouvier J.

Nat Commun. 2019 Jun 19;10(1):2697. doi: 10.1038/s41467-019-10490-9.

3.

Aromatic Ring Dynamics, Thermal Activation, and Transient Conformations of a 468 kDa Enzyme by Specific 1H-13C Labeling and Fast Magic-Angle Spinning NMR.

Gauto DF, Macek P, Barducci A, Fraga H, Hessel A, Terauchi T, Gajan D, Miyanoiri Y, Boisbouvier J, Lichtenecker R, Kainosho M, Schanda P.

J Am Chem Soc. 2019 Jul 17;141(28):11183-11195. doi: 10.1021/jacs.9b04219. Epub 2019 Jul 5.

PMID:
31199882
4.

Microsecond Protein Dynamics from Combined Bloch-McConnell and Near-Rotary-Resonance R1p Relaxation-Dispersion MAS NMR.

Marion D, Gauto DF, Ayala I, Giandoreggio-Barranco K, Schanda P.

Chemphyschem. 2019 Jan 21;20(2):276-284. doi: 10.1002/cphc.201800935. Epub 2018 Dec 20.

5.

Conformational sampling of the intrinsically disordered dsRBD-1 domain from Arabidopsis thaliana DCL1.

Suárez IP, Gauto DF, Hails G, Mascali FC, Crespo R, Zhao L, Wang J, Rasia RM.

Phys Chem Chem Phys. 2018 Apr 25;20(16):11237-11246. doi: 10.1039/c7cp07908g.

PMID:
29632904
6.

The key role of electrostatic interactions in the induced folding in RNA recognition by DCL1-A.

Zhao L, Suarez IP, Gauto DF, Rasia RM, Wang J.

Phys Chem Chem Phys. 2018 Apr 4;20(14):9376-9388. doi: 10.1039/C7CP07889G.

PMID:
29565070
7.

Solid-State NMR H-N-(C)-H and H-N-C-C 3D/4D Correlation Experiments for Resonance Assignment of Large Proteins.

Fraga H, Arnaud CA, Gauto DF, Audin M, Kurauskas V, Macek P, Krichel C, Guan JY, Boisbouvier J, Sprangers R, Breyton C, Schanda P.

Chemphyschem. 2017 Oct 6;18(19):2697-2703. doi: 10.1002/cphc.201700572. Epub 2017 Sep 5.

8.

Protein conformational dynamics studied by 15N and 1H R relaxation dispersion: Application to wild-type and G53A ubiquitin crystals.

Gauto DF, Hessel A, Rovó P, Kurauskas V, Linser R, Schanda P.

Solid State Nucl Magn Reson. 2017 Oct;87:86-95. doi: 10.1016/j.ssnmr.2017.04.002. Epub 2017 Apr 14.

9.

Sensitive proton-detected solid-state NMR spectroscopy of large proteins with selective CH3 labelling: application to the 50S ribosome subunit.

Kurauskas V, Crublet E, Macek P, Kerfah R, Gauto DF, Boisbouvier J, Schanda P.

Chem Commun (Camb). 2016 Jul 21;52(61):9558-61. doi: 10.1039/c6cc04484k.

10.

dsRNA-protein interactions studied by molecular dynamics techniques. Unravelling dsRNA recognition by DCL1.

Drusin SI, Suarez IP, Gauto DF, Rasia RM, Moreno DM.

Arch Biochem Biophys. 2016 Apr 15;596:118-25. doi: 10.1016/j.abb.2016.03.013. Epub 2016 Mar 14.

PMID:
26987516
11.

WATCLUST: a tool for improving the design of drugs based on protein-water interactions.

López ED, Arcon JP, Gauto DF, Petruk AA, Modenutti CP, Dumas VG, Marti MA, Turjanski AG.

Bioinformatics. 2015 Nov 15;31(22):3697-9. doi: 10.1093/bioinformatics/btv411. Epub 2015 Jul 20.

PMID:
26198103
12.

Solvent structure improves docking prediction in lectin-carbohydrate complexes.

Gauto DF, Petruk AA, Modenutti CP, Blanco JI, Di Lella S, Martí MA.

Glycobiology. 2013 Feb;23(2):241-58. doi: 10.1093/glycob/cws147. Epub 2012 Oct 22.

PMID:
23089616
13.

An integrated computational analysis of the structure, dynamics, and ligand binding interactions of the human galectin network.

Guardia CM, Gauto DF, Di Lella S, Rabinovich GA, Martí MA, Estrin DA.

J Chem Inf Model. 2011 Aug 22;51(8):1918-30. doi: 10.1021/ci200180h. Epub 2011 Jul 15.

PMID:
21702482
14.

Structural basis for ligand recognition in a mushroom lectin: solvent structure as specificity predictor.

Gauto DF, Di Lella S, Estrin DA, Monaco HL, Martí MA.

Carbohydr Res. 2011 May 15;346(7):939-48. doi: 10.1016/j.carres.2011.02.016. Epub 2011 Feb 23.

PMID:
21453906
15.

Carbohydrate-binding proteins: Dissecting ligand structures through solvent environment occupancy.

Gauto DF, Di Lella S, Guardia CM, Estrin DA, Martí MA.

J Phys Chem B. 2009 Jun 25;113(25):8717-24. doi: 10.1021/jp901196n.

PMID:
19485380

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