Publications acknowledging WeNMR

35 Petoukhov MV, Franke D, Shkumatov AV, Tria G, Kikhney AG, Gajda M, Gorba C, Mertens HDT, Konarev PV, Svergun DI New developments in the ATSAS program package for small-angle scattering data analysis J. Appl. Cryst. 2012 45, 342-350. 10.1107/S0021889812007662

34 Zou T, Yao X, Qin B, Zhang M, Cai L, Shang W, Svergun DI, Wang M, Cui S, Jin Q Crystal structure of Pseudomonas aeruginosa Tsi2 reveals a stably folded superhelical antitoxin J Mol Biol. 2012  417(4):351-61 10.1016/j.jmb.2012.01.040

33 Oeemig JS,  Zhou D, Kajander T, Wlodawer A, Iwaï A NMR and Crystal Structures of the Pyrococcus horikoshii RadA Intein Guide a Strategy for Engineering a Highly Efficient and Promiscuous Intein J Mol Biol 2012 In press 10.1016/j.jmb.2012.04.029

32 Luchinat C, Parigi C, Ravera E, Rinaldelli M Solid-State NMR Crystallography through Paramagnetic Restraints J Am Chem Soc. 2012 134(11):5006-9. 10.1021/ja210079n

31 van Dijk M, Wassenaar TA, Bonvin AMJJ A Flexible, Grid-Enabled Web Portal for GROMACS Molecular Dynamics Simulations J. Chem. Theory Comput. 2012 In press 10.1021/ct300102d

30 Huang YJ, Rosato A, Singh G, Montelione GT RPF: a quality assessment tool for protein NMR structures Nucleic Acids Research 2012 In press (Web server issue) 10.1093/nar/gks373

29 Tomaselli S, Assfalg M, Pagano K, Cogliati C, Zanzoni S, Molinari H, Ragona L. A Disulfide Bridge Allows for Site-Selective Binding in Liver Bile Acid Binding Protein Thereby Stabilising the Orientation of Key Amino Acid Side Chains. Chemistry. 2012 18(10):2857-66 10.1002/chem.201102203

28 Doreleijers JF, Vranken WF, Schulte C, Markley JL, Ulrich EL, Vriend G, Vuister GW. NRG-CING: integrated validation reports of remediated experimental biomolecular NMR data and coordinates in wwPDB. Nucleic Acids Res. 2012 40(Database issue):D519-24. 10.1093/nar/gkr1134

27 Rosato A, Aramini JM, Arrowsmith C, Bagaria A, Baker D, Cavalli A, Doreleijers JF, Eletsky A, Giachetti A, Guerry P, Gutmanas A, Güntert P, He Y, Herrmann T, Huang YJ, Jaravine V, Jonker HR, Kennedy MA, Lange OF, Liu G, Malliavin TE, Mani R, Mao B, Montelione GT, Nilges M, Rossi P, van der Schot G, Schwalbe H, Szyperski TA, Vendruscolo M, Vernon R, Vranken WF, de Vries S, Vuister GW, Wu B, Yang Y, Bonvin AM Blind testing of routine, fully automated determination of protein structures from NMR data. Structure. 2012 20(2):227-36. 10.1016/j.str.2012.01.002

26 Tottey S, Patterson CJ, Banci L, Bertini I, Felli IC, Pavelkova A, Dainty SJ, Pernil R, Waldron KJ, Foster AW, Robinson NJ. Cyanobacterial metallochaperone inhibits deleterious side reactions of copper. Proc Natl Acad Sci U S A. 2012 109(1):95-100. 10.1073/pnas.1117515109

25** Bagaria A, Jaravine V, Huang YJ, Montelione GT, Güntert P. Protein structure validation by generalized linear model root-mean-square deviation prediction; Protein Science 2012 21(2):229-38. 10.1002/pro.2007

24 Jimenez B, Ugwu F, Zhao R, Orti L, Makhnevych T, Pineda-Lucena A, Houry WA The structure of the minimal tetratricopeptide repeat domain protein Tah1 reveals the mechanism of its interaction with Pih1 and Hsp90 J Biol Chem. 2012 287(8):5698-709 10.1074/jbc.M111.287458

23 Melquiond ASJ, Karaca E, Kastritis PL, Bonvin AMJJ Next challenges in protein-protein docking: From proteome to interactome and beyond WIREs Computational Molecular Science 2011 10.1002/WCMS.91

22 Whelan F., Stead J., Shkumatov AV, Svergun DI, Sanders C, Antson AA A flexible brace maintains the assembly of a hexameric replicative helicase during DNA unwinding Nucleic Acids Research 2012 40(5):2271-83 10.1093/nar/gkr906

21 Bertini I, Calderone V, Cerofolini L, Fragai M, Geraldes CF, Hermann P, Luchinat C, Parigi G, Teixeira JM The catalytic domain of MMP-1 studied through tagged lanthanides FEBS Lett 2012 586(5):557-67 10.1016/j.febslet.2011.09.020

20 Sgrignani J, Pierattelli R Nuclear magnetic resonance signal chemical shifts and molecular simulations: a multidisciplinary approach to modeling copper protein structures J Biol Inorg Chem. 2012 17(1):71-9. 10.1007/s00775-011-0830-7

19 Bernadó P, Svergun DI Structural analysis of intrinsically disordered proteins by small-angle X-ray scattering Mol Biosyst 2012 8(1):151-67 10.1039/C1MB05275F

18 Söderberg CA, Shkumatov AV, Rajan S, Gakh O, Svergun DI, Isaya G, Al-Karadaghi S.Oligomerization propensity and flexibility of yeast frataxin studied by X-ray crystallography and small-angle X-ray scattering. J Mol Biol. 2011 414(5):783-97. 10.1016/j.jmb.2011.10.034

17 Bertini I, Gonnelli L, Luchinat C, Mao J, Nesi A. A new structural model of Aβ40 fibrils. J Am Chem Soc. 2011 133(40):16013-22. 10.1021/ja2035859

16* Dasgupta S, Hu X, Keizers PH, Liu WM, Luchinat C, Nagulapalli M, Overhand M, Parigi G, Sgheri L, Ubbink M Narrowing the conformational space sampled by two-domain proteins with paramagnetic probes in both domains J Biomol NMR 2011 51(3):253-63 10.1007/s10858-011-9532-2

15 Banci L, Bertini I, Cefaro C, Ciofi-Baffoni S, Gallo A Functional role of two interhelical disulfide bonds in human cox17 protein from a structural perspective J Biol Chem 2011 286(39):34382-90 10.1074/jbc.M111.246223

14 Banci L, Bertini I, Calderone V, Cefaro C, Ciofi-Baffoni S, Gallo A, Kallergi E, Lionaki E, Pozidis C, Tokatlidis K Molecular recognition and substrate mimicry drive the electron-transfer process between MIA40 and ALR Proc Natl Acad Sci USA 2011 108(12):4811-6 10.1073/pnas.1014542108

13* Zanzoni S, Assfalg M, Giorgetti A, D'Onofrio M, Molinari H Structural requirements for cooperativity in ileal bile acid binding proteins J Biol Chem 2011 286(45):39307-17 10.1074/jbc.M111.261099

12 Bertini I, Case DA, Ferella L, Giachetti A, Rosato A A Grid-enabled web portal for NMR structure refinement with AMBER Bioinformatics 2011 27(17):2384-90 10.1093/bioinformatics/btr415

11 Bielnicki JA, Shkumatov AV, Derewenda U, Somlyo AV, Svergun DI, Derewenda ZS Insights into the Molecular Activation Mechanism of the RhoA-specific Guanine Nucleotide Exchange Factor, PDZRhoGEF J Biol Chem 2011 286(40):35163-75 10.1074/jbc.M111.270918

10 Schmitz C, Bonvin AMJJ Protein-Protein HADDocking using exclusively Pseudocontact Shifts J Biomol NMR 2011 50(3):263-6 10.1007/s10858-011-9514-4

9 Stratmann D, Boelens R, Bonvin AMJJ Quantitative use of chemical shifts for the modelling of protein complexes Proteins 2011 79(9):2662-70 10.1002/prot.23090

8 de Vries SJ, Bonvin AMJJ CPORT: a consensus interface predictor and its performance in prediction-driven docking with HADDOCK PLoS One 2011 6(3):e17695 10.1371/journal.pone.0017695

7 Koehler C, Carlier L, Veggi D, Balducci E, Di Marcello F, Ferrer-Navarro M, Pizza M, Daura X, Soriani M, Boelens R, Bonvin AMJJ Structural and biochemical characterization of Nar E, an iron containing ADP-ribosyltransferase from Neisseria meningitides J Biol Chem 2011 286(17):14842-51 10.1074/jbc.M110.193623

6 Karaca E, Bonvin AMJJ A multi-domain flexible docking approach to deal with large conformational changes in the modeling of biomolecular complexes Structure 2011 19(4):555-65 10.1016/j.str.2011.01.014

5 Krzeminski M, Singh T, André S, Lensch M, Wu AM, Bonvin AMJJ, Gabius HJ Human galectin-3 (Mac-2 antigen): defining molecular switches of affinity to natural glycoproteins, structural and dynamic aspects of glycan binding by flexible ligand docking and putative regulatory sequences in the proximal promoter region Biochim Biophys Acta 2011 1810(2):150-61 10.1016/j.bbagen.2010.11.001

4* Sahakyan AB, Vranken WF, Cavalli A, Vendruscolo M. Using Side-Chain Aromatic Proton Chemical Shifts for a Quantitative Analysis of Protein Structures Angew Chem Int Ed Engl 2011 50(41):9620-3 10.1002/anie.201101641

3 Moreno-Morcillo M, Minvielle-Sébastia L, Fribourg S, Mackereth CD Locked Tether Formation by Cooperative Folding of Rna14p Monkeytail and Rna15p Hinge Domains in the Yeast CF IA Complex Structure 2011 19(4):534-45 10.1016/j.str.2011.02.003

2* Lange A, Hoeller D, Wienk H, Marcillat O, Lancelin JM, Walker O NMR Reveals a Different Mode of Binding of the Stam2 VHS Domain to Ubiquitin and Diubiquitin Biochemistry 2011 50(1):48–62 10.1021/bi101594a

1* Leineweber S, Schönig S, Seeger K Insight into interactions of the von-Willebrand-factor-A-like domain 2 with the FNIII-like domain 9 of collagen VII by NMR and SPR FEBS Lett 2011 585(12):1748-52 10.1016/j.febslet.2011.04.071

*  Acknowledges e-NMR

** Acknowledges (both) e-NMR and WeNMR