Publications of P. Güntert

2020

• Strotz, D., Orts, J., Kadavath, H., Friedmann, M., Ghosh, D., Olsson, S., Chi, C. N., Pokharna, A., Güntert, P., Vögeli, B. & Riek, R. Protein allostery at atomic resolution. Angew. Chem. Int. Ed.

• Kooijman, L., Schuster, M., Baumann, C., Jurt, S., Ansorge, P., Löhr, F., Fürtig, B., Güntert, P. & Zerbe, O. Dynamics of bacteriorhodopsin in the dark-adapted state from solution NMR. Angew. Chem. Int. Ed.

• Pritišanac, I., Alderson, T. R. & Güntert, P. Automated assignment of methyl NMR spectra from large proteins. Prog. NMR Spectrosc. 118–119, 54–73 (2020)

• Stanek, J., Schubeis, T., Paluch, P., Güntert, P., Andreas, L. B. & Pintacuda, G. Automated backbone NMR resonance assignment of large proteins using redundant linking from a single simultaneous acquisition. J. Am. Chem. Soc. 142, 5793−5799 (2020)

• Kooijman, L., Ansorge, P., Schuster, M., Baumann, C., Löhr, F., Jurt, S., Güntert, P., & Zerbe, O. Backbone and methyl assignment of bacteriorhodopsin incorporated into nanodiscs. J. Biomol. NMR 74, 45–60 (2020)

• Huber, J., Obata, M., Gruber, J., Akutsu, M., Löhr, F., Rogova, N., Güntert, P., Dikic, I., Krikin, V., Komatsu, M., Dötsch, V. & Rogov, V. V. An atypical LIR motif within UBA5 (ubiquitin like modifier activating enzyme 5) interacts with GABARAP proteins and mediates membrane localization of UBA5. Autophagy 16, 256-270 (2020)

• Ikeya, T., Güntert, P., Ito, Y. Protein structure determination in living cells from NOE-derived distance restraints. In In-cell NMR (Eds. Ito, Y., Dötsch, V., Shirakawa, M.), Royal Society of Chemistry, pp. 65–89 (2020)

2019

• Beil, A., Jurt, S., Walser, R., Schäfer, T., Güntert, P., Capdeville, M., Atrian, S., Dallinger, R. & Zerbe, O. The solution structure and dynamics of Cd-metallothionein from Helix pomatia reveal optimization for binding Cd over Zn. Biochemistry. Biochemistry 58, 4570-4581 (2019)

• Pritišanac, I., Würz, J. M., Alderson, T. R., Güntert, P. Automatic structure-based NMR methyl resonance assignment in large proteins. Nat. Commun. 10, 4922 (2019)

• Torosyan, A., Wiegand, T., Schledorn, M., Klose, D., Güntert, P., Böckmann, A., Meier, B. H. Including protons in solid-state NMR resonance assignment and secondary structure analysis: The example of RNA polymerase II subunits Rpo4/7. Front. Mol. Biosci. 6, 100 (2019)

• Güntert, P. CYANA. In Encyclopedia of Biophysics (Ed. G. Roberts), Springer, New York (2019)

• Gauto, D. F., Estrozi, L. F., Schwieters, C. D., Effantin, G., Macek, P., Sounier, R., Sivertsen, A. C., Schmidt, E., Kerfah, R., Mas, G., Colletier, J.-P., Güntert, P., Favier, A., Schoehn, G., Schanda, P. & Boisbouvier, J. Integrated NMR and cryo-EM atomic-resolution structure determination of a half-megadalton enzyme complex. Nat. Commun. 10, 2697 (2019)

• Tanaka, T., Ikeya, T., Kamoshida, H., Suemoto, Y., Mishima, M., Shirakawa, M., Güntert, P., Ito, Y. High resolution protein 3D structure determination in living eukaryotic cells. Angew. Chem. Int. Ed. 58, 7284–7288 (2019)

• Ikeya, T., Güntert, P. & Ito, Y. Protein structure determination in living cells. Int. J. Mol. Sci. 20, 2442 (2019)

• Möbius, K., Kazemi, S., Güntert, P., Jakob, A., Heckel, A., Becker-Baldus, J. & Glaubitz, C. Global response of diacylglycerol kinase towards substrate binding observed by 2D and 3D MAS NMR. Sci. Rep. 9, 3995 (2019)

2018

• Kobayashi, N., Hattori, Y., Nagata, T., Shinya, S., Güntert, P., Kojima, C. & Fujiwara, T. Noise peak filtering in multi-dimensional NMR spectra using convolutional neural networks. Bioinformatics 34, 4300–4301 (2018)

• Jemth, P., Andersson, E., Vögeli, B., Hultqvist, G., Dogan, J., Güntert, P. & Riek, R. & Chi, C. N., Structure and dynamics conspire in the evolution of affinity between intrinsically disordered proteins. Science Adv. 4, eaau4130 (2018)

• Kniss, A., Kazemi, S., Löhr, F., Berger, M., Rogov, V. V., Güntert, P., Sommer, T., Jarosch, E. & Dötsch, V. Structural investigation of glycan recognition by the ERAD quality control lectin Yos9. J. Biomol. NMR 72, 1-10 (2018)

• Sundell, G. N., Arnold, R., Ali, M., Naksukpaiboon, P., Orts, J., Güntert, P., Chi, C. N., Ivarsson, Y. Proteome-wide analysis of phospho-regulated PDZ domain interactions. Mol. Sys. Biol. 14, e8129 (2018)

• Krauskopf, K., Gebel, J., Kazemi, S., Löhr, F., Tuppi, M., Löhr, F., Schäfer, B., Koch, J., Güntert, P., Dötsch, V. & Kehrloesser, S. Regulation of the activity in the p53 family depends on the organization of the transactivation domain. Structure 26, 1091–1100 (2018)

• Nichols, P. J., Born, A., Henen, M. A., Strotz, D., Celestine, C., Riek, R., Güntert, P. & Vögeli, B. Extending the applicability of exact nuclear Overhauser enhancements to large proteins and RNA. ChemBioChem 19, 1695-1701 (2018)

• Pritišanac, I., Würz, J. M. & Güntert, P. Fully automated assignment of methyl resonances of a 36 kDa protein dimer from sparse NOESY data. J. Phys Conf. Ser. 1036, 012008 (2018)

• Nichols, P. J., Henen, M. A., Born, A., Strotz, D., Güntert, P. & Vögeli, B. High-resolution small RNA structures from exact nuclear Overhauser enhancement measurements without additional restraints. Comm. Biol. 1, 61 (2018)

• Kniss, A., Schuetz, D., Kazemi, S., Pluska, L., Spindler, P. E., Rogov, V. V., Husnjak, K., Dikic, I., Güntert, P., Sommer, T., Prisner, T. F. & Dötsch, V. Chain assembly and disassembly processes differently affect the conformational space of ubiquitin chains. Structure 26, 249–258 (2018)

• Russo, C., Osterburg, C., Sirico, A., Antonini, D., Ambrosio, R., Würz, J. M., Rinnental J., Schäfer, B., Güntert, P., Sinha, S., Dötsch, V. & Missero, C. Protein aggregation of the p63 transcription factor underlies severe skin fragility in AEC syndrome. Proc. Natl. Acad. Sci. USA 115, E906-E915 (2018)

2017

• Reckel, S., Gehin, C., Tardivon, D., Harduin, D., Georgeon, S., Kükenshöner, T., Löhr, F., Koide, A., Buchner, L., Panjkovich, A., Reynaud, A., Pinho, S., Gerig, B., Svergun, D., Pojer, F., Güntert, P., Dötsch, V., Koide, S., Gavin, A.-C. & Hantschel, O. Structural and functional dissection of the DH and PH domains of oncogenic Bcr-Abl tyrosine kinase. Nat. Commun. 8, 2101 (2017)

• Grytz, C. M., Kazemi, S., Marko, A., Cekan, P., Güntert, P., Sigurdsson, S. Th. & Prisner, T. F. Determination of helix orientations in a flexible DNA by multi-frequency EPR spectroscopy. Phys. Chem. Chem. Phys. 19, 29801-29811 (2017)

• Würz, J. M., Kazemi, S., Schmidt, E., Bagaria, A. & Güntert, P. NMR-based automated protein structure determination. Arch. Biochem. Biophys. 628, 24-32 (2017)

• Nichols, P., Born, A., Henen, M. A., Strotz, D., Orts, J., Olsson, S., Güntert, P., Riek, R., Chi, C. N. & Vögeli, B. The exact nuclear Overhauser enhancement: recent advances. Molecules 22, 1176 (2017)

• Würz, J. M. & Güntert, P. Peak picking multidimensional NMR spectra with the contour geometry based algorithm CYPICK. J. Biomol. NMR. 67, 63–76 (2017)

• Kazemi, S., Würz, J. M., Schmidt, E., Bagaria, A. & Güntert, P. Automated structure determination from NMR spectra. In Modern Magnetic Resonance 2nd Ed. (Ed. G. Webb), Springer (2017)

• Bibow, S., Polyhach, Y., Eichmann, C., Chi, C. N., Kowal, J., Albiez, S., McLeod, R. A., Stahlberg, H., Jeschke, G., Güntert, P. & Riek, R. Solution structure of discoidal high-density lipoprotein particles with a shortened apolipoprotein A-I. Nat. Struct. Mol. Biol. 24, 187-193 (2017)

• Kuwasako, K., Nameki, N., Tsuda, K., Takahashi, M., Sato, A., Tochio, N., Inoue, M., Terada, T., Kigawa, T., Kobayashi, N., Shirouzu, M., Ito, T., Sakamoto, T., Wakamatsu, K., Güntert, P., Takahashi, S., Yokoyama, S. & Muto, Y. Solution structure of the first RNA recognition motif domain of human spliceosomal protein SF3b49 and its mode of interaction with a SF3b145 fragment. Protein Sci. 26, 280-291 (2017)

2016

• Poms, M., Ansorge, P., Martinez-Gill, L., Jurt, S., Gottstein, D., Fracchiolla, K. E., Cohen, L. S., Güntert, P., Mingarro, I., Naider, F. & Zerbe, O. NMR investigation of structures of G-protein coupled receptor folding intermediates. J. Biol. Chem. 291, 27170-27186 (2016)

• Ikeya, T., Hanashima, T., Hosoya, S., Shimazaki, M., Ikeda, S., Mishima, M., Güntert, P. & Ito, Y. Improved in-cell structure determination of proteins at near-physiological concentration. Sci. Rep. 6, 38312 (2016)

• Gebel, J., Luh, L. M., Coutandin, D., Osterburg, C., Löhr, F., Schäfer, B., Frombach, A., Sumyk, M., Buchner, L., Krojer, T., Salah, E., Mathea, S., Güntert, P., Knapp, S. & Dötsch, V. Mechanism of TAp73 inhibition by ΔNp63 and structural basis of p63/p73 hetero-tetramerization. Cell Death Diff. 23, 1930-1940 (2016)

• Ravotti, F., Wälti, M. A., Güntert, P., Meier, B. H., Riek, R. & Böckmann, A. Solid-state NMR sequential assignment of an amyloid-β(1-42) fibril polymorph. Biomol. NMR Assign. 10, 269-276

• Wälti, M. A., Ravotti, F., Arai, H., Glabe, C., Wall, J., Böckmann, A., Güntert, P., Meier, B. H. & Riek, R. Atomic resolution structure of a disease-relevant Aβ(1–42) amyloid fibril. Proc. Natl. Acad. Sci. USA 113, E4976–E4984 (2016)

• von Delbrück, M., Kniss, A., Rogov, V. V., Pluska, L., Bagola, K., Löhr, F., Güntert, P., Sommer, T. & Dötsch, V. The CUE domain of Cue1 aligns growing ubiquitin chains with Ubc7 for rapid elongation. Mol. Cell 62, 918-928 (2016)

• Orts, J., Wälti, M. A., Marsh, M., Vera, L., Gossert, A. D., Güntert, P. & Riek, R. NMR-based determination of the 3D structure of the ligand-protein interaction site without protein resonance assignment. J. Am. Chem. Soc. 138, 4393–4400 (2016)

• Ikeya, T., Ikeda, S., Kigawa, T., Ito, Y. & Güntert, P. Protein NMR structure refinement based on Bayesian inference. J. Phys. Conf. Ser. 699, 012005 (2016)

• Wiegand, T., Gardiennet, C., Ravotti, F., Bazin, A., Kunert, B., Lacabanne, D., Cadalbert, R., Güntert, P., Terradot, L., Böckmann, A. & Meier, B. H. Solid-state NMR sequential assignments of the N-terminal domain of HpDnaB helicase. Biomol. NMR Assign. 10, 13-23 (2016)

• Vögeli, B., Olsson, S., Güntert, P. & Riek, R. The exact NOE as an alternative in ensemble structure determination. Biophys. J. 110, 113-126 (2016)

2015

• Chi, C. N., Vögeli, B., Bibow, S., Strotz, D., Orts, J., Güntert, P. & Riek, R. A structural ensemble of the enzyme cyclophilin in solution reveals an orchestrated mode of action at atomic resolution. Angew. Chem. Int. Ed. 54, 11657-11661 (2015)

• Vögeli, B., Olsson, S., Riek, R. & Güntert, P. Compiled data set of exact NOE distance limits, residual dipolar couplings and scalar couplings for the protein GB3. Data in Brief 5, 99-106 (2015)

• Maden Yilmaz, E. & Güntert, P. NMR structure calculation for all small molecule ligands and non-standard residues from the PDB Chemical Component Dictionary. J. Biomol. NMR 63, 21-37 (2015)

• Güntert, P. & Buchner, L. Combined automated NOE assignment and structure calculation with CYANA. J. Biomol. NMR 62, 453-471 (2015)

• Vögeli, B., Olsson, S., Riek, R. & Güntert, P. Complementarity and congruence between exact NOEs and traditional NMR probes for spatial decoding of protein dynamics. J. Struct. Biol. 191, 306-317 (2015)

• Gutmanas, A., Adams, P. D., Bardiaux, B., Berman, H. M., Case, D. A., Fogh, R. H. Güntert, P., Hendrickx, P. M. S., Herrmann, T., Kleywegt, G. J., Kobayashi, N., Lange, O. F., Markley, J. L., Montelione, G. T., Nilges, M., Ragan, T. J., Schwieters, C. D., Tejero, R., Ulrich, E., Velankar, S., Vranken, W. F., Wedell, J., Westbrook, J., Wishart, D. S. & Vuister, G. W. NMR Exchange Format: a unified and open standard for representation of NMR restraint data. Nat. Struct. Mol. Biol. 22, 433–434 (2015)

• Buchner, L. & Güntert, P. Systematic evaluation of combined automated NOE assignment and structure calculation with CYANA. J. Biomol. NMR 62, 81–95 (2015)

• Huang, S. Y., Chang, C. F., Fan, P. J., Naik, M. T., Güntert, P., Shih, H. M. & Huang, T. H. The RING domain of human promyelocytic leukemia protein (PML). J. Biomol. NMR 61, 173–180 (2015)

• Buchner, L. & Güntert, P. Increased reliability of NMR protein structures by consensus structure bundles. Structure 23, 425–434 (2015)

• Shigemitsu, Y., Ikeya, T., Yamamoto, A., Tsuchie, Y., Mishima, M., Smith, B. O., Güntert, P. & Ito, Y. Evaluation of the reliability of the maximum entropy method for reconstructing 3D and 4D NOESY-type NMR spectra of proteins. Biochem. Biophys. Res. Commun. 457, 200–205 (2015)

• Schütz, A. K., Vagt, T., Huber, M., Ovchinnikova, O. Y., Cadalbert, R., Wall, J., Güntert, P., Böckmann, A., Glockshuber, R. & Meier, B. H. Atomic-resolution three-dimensional structure of amyloid β fibrils bearing the Osaka mutation. Angew. Chem. Int. Ed. 54, 331–335 (2015)

• Schütz, A. K., Vagt, T., Huber, M., Ovchinnikova, O. Y., Cadalbert, R., Wall, J., Güntert, P., Böckmann, A., Glockshuber, R. & Meier, B. H. Die atomare dreidimensionale Struktur von Amyloid-β-Fibrillen mit der Osaka-Mutation. Angew. Chem. 127, 337–342 (2015)

• Schmidt, E. & Güntert, P. Automated structure determination from NMR spectra. Meth. Mol. Biol. 1261, 303–329 (2015)

2014

• Lin, Y. J., Ikeya, T., Kirchner, D. K. & Güntert, P. Influence of incomplete NOESY peaks of the interface residues on structure determinations of homodimeric proteins. J. Chin. Chem. Soc. 61, 1297-1306 (2014)

• Schmidt, E., Ikeya, T., Takeda, M., Löhr, F., Buchner, L., Ito, Y., Kainosho, M. & Güntert, P. Automated resonance assignment of the 21 kDa stereo-array isotope labeled thioldisulfide oxidoreductase DsbA. J. Magn. Reson. 249, 88–93 (2014)

• Tsuda, K., Kuwasako, K., Nagata, T., Takahashi, M., Kigawa, T., Kobayashi, N., Güntert, P., Shirouzu, M., Yokoyama, S. & Muto, Y. Novel RNA recognition motif domain in cytoplasmic polyadenylation element binding protein 3. Proteins 82, 2879–2886 (2014)

• Kuwasako, K., Takahashi, M., Unzai, S., Tsuda, K., Yoshikawa, S., He, F., Kobayashi, N., Güntert, P., Shirouzu, M., Ito, T., Tanaka, A., Yokoyama, S., Hagiwara, M., Kuroyanagi, H. & Muto, Y. RBFOX and SUP-12 sandwich a guanine base to cooperatively regulate tissue-specific splicing. Nat. Struct. Mol. Biol. 21, 778–786 (2014)

• Uggerhøj, L. E., Munk, J. K., Hansen, P. R., Güntert, P. & Wimmer, R. Structural features of peptoid-peptide hybrids in lipid-water interfaces. FEBS Lett. 588, 3291–3297 (2014)

• Watson, R. P., Christen, M. T., Bumbak, F., Ewald, C., Reichen, C. Mihajlovic, M., Schmidt, E., Güntert, P., Caflisch, A., Plückthun, A., Zerbe, O. Spontaneous self assembly of fragments of engineered Armadillo repeat proteins into a folded structure. Structure 22, 985–995 (2014)

• Krähenbühl, B., El Bakkali, I., Schmidt, E., Güntert, P. & Wider, G. Automated NMR resonance assignment strategy for RNA via the phosphodiester backbone based on high-dimensional through-bond APSY experiments. J. Biomol. NMR 59, 87-93 (2014)

• Tufar, P., Rahighi, S., Kraas, F. I., Kirchner, D. K., Löhr, F., Henrich, E., Köpke, J., Dikic, I., Güntert, P., Marahiel, M. A. & Dötsch, V. Crystal structure of a PCP/Sfp complex reveals the structural basis for carrier protein posttranslational modification. Chem. Biol. 21, 552–562 (2014)

• Vögeli, B., Orts, J., Strotz, D., Chi, C., Minges, M., Wälti, M. A., Güntert, P. & Riek, R. Towards a true protein movie: A perspective on the potential impact of the ensemble-based structure determination using exact NOEs. J. Magn. Reson. 241, 53-59 (2014)

• Kogure, H., Handa, Y., Nagata, M., Kanai, N., Güntert, P., Kubota, K. & Nameki, N. Identification of residues required for stalled-ribosome rescue in the codon-independent release factor YaeJ. Nucl. Acids Res. 42, 3152-3163 (2014)

• Tikole, S., Jaravine, V., Rogov, V., Dötsch, V. & Güntert, P. Peak picking NMR spectral data using non-negative matrix factorization. BMC Bioinformatics 15, 46 (2014)

2013

• Orts, J., Vögeli, B., Riek, R. & Güntert, P. Stereospecific assignments in proteins using exact NOEs. J. Biomol. NMR 57, 211-218 (2013)

• Aeschbacher, T., Schmidt, E., Blatter, M., Maris, C., Duss, O., Allain, F. H.-T., Güntert, P. & Schubert, M. Automated and assisted RNA resonance assignment using NMR chemical shift statistics. Nucl. Acids Res. 41, e172 (2013)

• Schmidt, E. & Güntert, P. Reliability of exclusively NOESY-based automated resonance assignment and structure determination of proteins. J. Biomol. NMR 57, 193-204 (2013)

• Bagaria, A., Jaravine, V. & Güntert, P. Estimating structure quality trends in the Protein Data Bank by equivalent resolution. Comp. Biol. Chem. 46, 8–15 (2013)

• Tikole, S., Jaravine, V., Orekhov, V. Yu. & Güntert, P. Effects of NMR spectral resolution on protein structure calculation. PLoS ONE 8, e68567 (2013)

• Luh, L. M., Hänsel, R., Löhr, F., Kirchner, D. K., Krauskopf, K., Pitzius, S., Schäfer, B., Tufar, P., Corbeski, I., Güntert, P. & Dötsch, V. Molecular crowding drives active Pin1 into nonspecific complexes with endogenous proteins prior to substrate recognition. J. Am. Chem. Soc. 135, 13796−13803 (2013)

• Rogov, V. V., Suzuki, H., Fiskin, E., Wild, P., Kniss, A., Rozenknop, A., Kato, R., Kawasaki, M., McEwan, D. G., Löhr, F., Güntert, P., Dikic, I., Wakatsuki, S. & Dötsch, V. Structural basis for phosphorylation-triggered autophagic clearance of Salmonella. Biochem. J. 454, 459–466 (2013)

• Montelione, G. T., Nilges, M., Bax, A., Güntert, P., Herrmann, T., Richardson, J. S., Schwieters, C., Vranken, W. F., Vuister, G. W., Wishart, D. S., Berman, H. M., Kleywegt, G. J. & Markley, J. L. Recommendations of the wwPDB NMR Validation Task Force. Structure 21, 1563–1570 (2013)

• Schmidt, E., Gath, J., Habenstein, B., Ravotti, F., Székely, K., Huber, M., Buchner, L., Böckmann, A., Meier, B. H. & Güntert, P. Automated solid-state NMR resonance assignment of protein microcrystals and amyloids. J. Biomol. NMR 56, 243–254 (2013)

• Hefke, F. & Güntert, P. Prediction of peak overlap in NMR spectra. J. Biomol. NMR 56, 113–123 (2013)

• Nagata, T., Tsuda, K., Kobayashi, N., Güntert, P., Yokoyama, S. & Muto, Y. ¹H, ¹³C, and ¹⁵N resonance assignment of the dsRBDs of mouse RNA helicase A. Biomol. NMR Assign. 7, 69–72 (2013)

• Buchner, L., Schmidt, E. & Güntert, P. Peakmatch: a simple and robust method for peak list matching. J. Biomol. NMR. 55, 267–277 (2013)

• Vögeli, B., Güntert, P., & Riek, R. Multiple-state ensemble structure determination from eNOE spectroscopy. Mol. Phys. 111, 437–454 (2013)

• Lin, Y. J., Ikeya, T., Güntert, P. & Chang, L. S. NMR solution structure of a chymotrypsin inhibitor from the Taiwan cobra. Molecules 18, 8906-8918 (2013)

• Güntert, P. CYANA. In Encyclopedia of Biophysics (Ed. G. Roberts), Springer, New York (2013)

2012

• Wassenaar, T. A., van Dijk, M., Loureiro-Ferreira, N., van der Schot, G., de Vries, S. J., Schmitz, C., van der Zwan, J., Boelens, R., Giachetti, A., Ferella, L., Rosato, A., Bertini, I., Herrmann, T., Jonker, H. R. A., Bagaria, A., Jaravine, V., Güntert, P., Schwalbe, H., Vranken, W. F., Doreleijers, J. F., Vriend, G., Vuister, G. W., Franke, D., Kikhney, A., Svergun, D. I., Fogh, R., Ionides, J., Laue, E. D., Spronk, C., Jurkša, S., Verlato, M., Badoer, S., Dal Pra, S., Mazzucato, M., Frizziero, E. & Bonvin, A. M. J. J. WeNMR: Structural biology on the Grid. J. Grid. Comput. 10, 743-767 (2012)

• Vögeli, B., Orts, J., Strotz, D., Güntert, P. & Riek, R. Discrete three-dimensional representation of macromolecular motion from eNOE-based ensemble calculation. Chimia 66, 787-790 (2012)

• He, F., Tsuda, K., Takahashi, M., Kuwasako, K., Terada, T., Shirouzu, M., Watanabe, S., Kigawa, T., Kobayashi, N., Güntert, P., Yokoyama, S. & Muto, Y. Structural insight into the interaction of ADP-ribose with the PARP WWE domains. FEBS Lett. 586, 3858–3864 (2012)

• Christ, N. A., Bochmann, S., Gottstein, D., Duchardt-Ferner, E., Hellmich, U. A., Düsterhus, S., Kötter, P., Güntert, P., Entian, K.-D. & Wöhnert, J. The first structure of a lantibiotic immunity protein, SpaI from Bacillus subtilis, reveals a novel fold. J. Biol. Chem. 287, 35286-35298 (2012)

• Vögeli, B., Kazemi, S., Güntert, P. & Riek, R. Spatial elucidation of motion in proteins by ensemble-based structure calculation using exact NOEs. Nature Struct. Mol. Biol. 19, 1053–1057 (2012)

• Kogure, H., Hikawa, Y., Hagihara, M., Tochio, N., Koshiba, S., Inoue, Y., Güntert, P., Kigawa, T., Yokoyama, S. & Nameki, N. Solution structure and siRNA-mediated knockdown analysis of the mitochondrial disease-related protein C12orf65. Proteins 80, 2629–2642 (2012)

• Schmidt, E. & Güntert, P. A new algorithm for reliable and general NMR resonance assignment. J. Am. Chem. Soc. 134, 12817–12829 (2012)

• Lin, Y. J., Kirchner, D. K. & Güntert, P. Influence of ¹H chemical shift assignments of the interface residues on structure determinations of homodimeric proteins. J. Magn. Reson. 222, 96–104 (2012)

• Gottstein, D., Reckel, S., Dötsch, V. & Güntert, P. Requirements on paramagnetic relaxation enhancement data for α-helical membrane protein structure determination by NMR. Structure 20, 1019-1027 (2012)

• Nagata, T., Tsuda, K., Shirouzu, M., Kigawa, T., Kobayashi, N., Güntert, P., Yokoyama, S. & Muto, Y. Solution structures of the double-stranded RNA-binding domains from RNA-helicase A. Proteins 80, 1699–1706 (2012)

• Tikole, S., Jaravine, V., Rogov, V. V., Rozenknop, A., Schmöe, K., Löhr, F., Dötsch, V. & Güntert, P. Fast automated NMR spectroscopy of short-lived biological samples. ChemBioChem 13, 964–967 (2012)

• Rogov, V. V., Rozenknop, A., Rogova, N. Y., Löhr, F., Tikole, S., Jaravine, V., Güntert, P., Dikic, I. & Dötsch, V. A universal expression tag for structural and functional studies of proteins. ChemBioChem 13, 959–963 (2012)

• Gottstein, D., Kirchner, D. K. & Güntert, P. Simultaneous single-structure and bundle representation of protein NMR structures in torsion angle space. J. Biomol. NMR 52, 351-364 (2012)

• Busche, A., Gottstein, D., Hein, C., Ripin, N., Pader, I., Tufar, P., Eisman, E. B., Gu, L. Walsh, C. T., Sherman, D. H., Löhr, F., Güntert, P. & Dötsch, V. Characterization of the interaction between an ACP domain and a halogenase in the curacin A polyketide synthetase. ACS Chem. Biol. 7, 378–386 (2012)

• He, F., Inoue, M., Kigawa, T., Takahashi, M., Kuwasako, K., Tsuda, K., Kobayashi, N., Terada, T., Shirouzu, M., Tanaka, A., Sugano, S., Güntert, P., Yokoyama, S. & Muto, Y. Solution structure of the Splicing Factor Motif (SFM) of the human Prp18 protein. Proteins 80, 968–974 (2012)

• Rosato, A., Aramini, J. M., Arrowsmith, C., Bagaria, A., Baker, D., Cavalli, A., Doreleijers, J. F., Eletsky, A., Giachetti, A., Guerry, P., Gutmanas, A., Güntert, P., He. Y. F., Herrmann, T., Huang, Y. J., Jaravine, V., Jonker, H. R. A., Kennedy, M. A., Lange, O. F., Liu, G., Malliavin, T. E., Mani, R., Mao, B., Montelione, G. T., Nilges, M., Rossi, P., van der Schot, G., Schwalbe, H., Szyperski, T., Vendruscolo, M., Vernon, R., Vranken, W. F., de Vries, S., Vuister, G. W., Wu, B., Yang, Y. & Bonvin, A. M. J. J. Blind testing of routine, fully automated determination of protein structures from NMR data. Structure 20, 227–236 (2012)

• Bagaria, A., Jaravine, V., Huang, Y. J., Montelione, G. T. & Güntert, P. Protein structure validation by generalized linear model RMSD prediction. Protein Sci. 21, 229–238 (2012)

2011

• Reckel, S., Gottstein, D., Stehle, J., Löhr, F., Verhoefen, M. K., Takeda, M., Silvers, R., Kainosho, M., Glaubitz, C., Wachtveitl, J., Bernhard, F., Schwalbe, H., Güntert, P. & Dötsch, V. Solution NMR structure of proteorhodopsin. Angew. Chem. Int. Ed. 50, 11942–11946 (2011)

• Wassenaar, T. A., van Dijk, M., Loureiro-Ferreira, N., van der Schot, G., de Vries, S. J., Schmitz, C., van der Zwan, J., Boelens, R., Giachetti, A., Ferella, L., Rosato, A., Bertini, I., Herrmann, T., Jonker, H. R. A., Bagaria, A., Jaravine, V., Güntert, P., Schwalbe, H., Vranken, W. F., Doreleijers, J. F., Vriend, G., Vuister, G. W., Franke, D., Kikhney, A., Svergun, D. I., Fogh, R., Ionides, J., Laue, E. D., Spronk, C., Verlato, M., Badoer, S., Dal Pra, S., Mazzucato, M., Frizziero, E. & Bonvin, A. M. J. J. WeNMR: Structural biology on the Grid. Proceedings of IWSG-Life2011 (2011)

• Cohen, L. S., Arshava, B., Neumoin, A., Becker, J. M., Güntert, P., Zerbe, O. & Naider, F. Comparative NMR analysis of an 80-residue G protein-coupled receptor fragment in two membrane mimetic environments. Biochim. Biophys. Acta 1808, 2674–2684 (2011)

• Güntert, P. Calculation of structures from NMR restraints. In Protein NMR Spectroscopy: Practical Techniques and Applications (Eds. G. Roberts & L.-Y. Lian), Wiley, New York, pp. 159–192 (2011)

• Rozenknop, A., Rogov, V. V., Löhr, F., Güntert, P., Dikic, I., & Dötsch, V. Characterization of the interaction of GABARAPL-1 with the LIR motif of NBR1. J. Mol. Biol. 410, 477–487 (2011)

• Kirchner, D. K. & Güntert, P. Objective identification of residue ranges for the superposition of protein structures. BMC Bioinformatics 12, 170 (2011)

• Schmöe, K., Rogov, V. V., Rogova, N. Y., Löhr, F., Güntert, P., Bernhard, F. & Dötsch, V. Structural insights into Rcs phosphotransfer: The newly identified RcsD-ABL domain enhances interaction with the response regulator RcsB. Structure 19, 577–587 (2011)

• Ikeya, T., Jee. J. G., Shigemitsu, Y., Hamatsu, J., Mishima, M., Ito, Y., Kainosho, M. & Güntert, P. Exclusively NOESY-based automated NMR assignment and structure determination of proteins. J. Biomol. NMR 50, 137–146 (2011)

• Knehans, T., Schüller, A., Doan, D. N., Nacro, K., Hill, J., Güntert, P., Madhusudhan, M.S, Weil, T. & Vasudevan, S. G. Structure-guided fragment-based in silico drug design of dengue protease inhibitors. J. Comput. Aided Mol. Des. 25, 263–274 (2011)

• Güntert, P. Automated structure determination from NMR Spectra. In Advances in Biomedical Spectroscopy. Volume 3: Biomolecular NMR Spectroscopy (Eds. A. Dingley & S. Pascal), IOS Press, Amsterdam, pp. 338–365 (2011)

• Hefke, F., Bagaria, A., Reckel, S., Ullrich, S. J., Dötsch, V., Glaubitz, C. & Güntert, P. Optimization of amino acid type- specific ¹³C and ¹⁵N labeling for the backbone assignment of membrane proteins by solution- and solid-state NMR with the UPLABEL algorithm. J. Biomol. NMR 49, 75-84 (2011)

• Tsuda, K., Someya, T., Kuwasako, K., Takahashi, M., Fahu, H., Inoue, M., Harada, T., Watanabe, S., Terada, T., Kobayashi, N., Shirouzu, M., Kigawa, T., Tanaka, A., Sugano, S., Güntert, P., Yokoyama, S. & Muto, Y. Structural basis for the dual RNA-recognition modes of human Tra2-β RRM. Nucl. Acids Res. 39, 1538-1553 (2011)

• Yamashita, S., Nagata, T., Kawazoe, M., Takemoto, C., Kigawa, T, Güntert, P., Kobayashi, N., Terada, T., Shirouzu, M., Wakiyama, M., Muto, Y. & Yokoyama, S. Structures of the first and second double-stranded RNA-binding domains of human TAR RNA-binding protein. Protein Sci. 20, 118-130 (2011)

2010

• Handa, Y., Hikawa, Y., Tochio, N., Kogure, H., Inoue, M., Koshiba, S., Güntert, P., Inoue, Y., Kigawa, T., Yokoyama, S. & Nameki, N. Solution structure of the mitochondrial protein ICT1 that is essential for cell vitality. J. Mol. Biol. 404, 260-273 (2010)

• He, F., Umehara, T., Saito, K., Harada, T., Watanabe, S., Yobuki, T., Kigawa, T., Takahashi, M., Kuwasako, K., Tsuda, K., Matsuda, T., Aoki, M., Seki, E., Kobayashi, N., Güntert, P., Yokoyama, S. & Muto, Y. Structural insight into the zinc finger CW domain as a histone modification reader. Structure 18, 1127–1139 (2010)

• Hamada, T., Matsunaga, S.,Fujiwara, M., Fujita, K., Hirota, H., Schmucki, R., Güntert, P. & Fusetani, N. Solution structure of polytheonamide B, a highly cytotoxic nonribosomal polypeptide from marine sponge. J. Am. Chem. Soc. 132, 12941–12945 (2010)

• Elgán, T.H., Planson, A.G., Beckwith, J., Güntert, P. & Berndt, K.D. Determinants of activity in glutaredoxins: an in vitro evolved Grx1-like variant of Escherichia coli Grx3. Biochem. J. 430, 487-495 (2010)

• Loureiro-Ferreira, N., Wassenaar, T. A., de Vries, S. J., van Dijk, M., van der Schot, G., van der Zwan, J., Boelens, R., Giachetti, A., Carotenuto, D., Rosato, A., Bertini, I., Herrmann, T., Bagaria, A., Zharavin, V., Jonker, H. R. A., Güntert, P., Schwalbe, H., Vranken, W. F., Dal Pra, S., Mazzucato, M., Frizziero, E., Traldi, S., Verlato, M. & Bonvin, A. M. J. J. e-NMR gLite grid enabled infrastructure. In IBERGRID 4th Iberian Grid Infrastructure Conference Proceedings (Eds. A. Proença, A. Pina, J. García Tobío & L. Ribeiro), Netbiblo, La Coruña, Spain, pp. 360–382 (2010)

• Ikeya, T., Sasaki, A., Sakakibara, D., Shigemitsu, Y., Hamatsu, J., Hanashima, T., Mishima, M., Yoshimasu, M., Hayashi, N., Mikawa, T., Nietlisbach, D., Wälchli, M., Smith, B. O., Shirakawa, M., Güntert, P. & Ito, Y. NMR protein structure determination in living E. coli cells using nonlinear sampling. Nature Protocols 5, 1051–1060 (2010)

• Sobhanifar, S., Schneider, B., Löhr, F., Gottstein, D., Ikeya, T., Filipek, S., Güntert, P., Bernhard, F. & Dötsch, V. Structural investigation of the C-terminal catalytic fragment of presenilin-1. Proc. Natl. Acad. Sci. USA 107, 9644–9649 (2010)

2009

• Kainosho, M. & Güntert, P. SAIL – Stereo-array isotope labeling. Q. Rev. Biophys. 42, 247-300 (2009)

• Coutandin, D., Löhr, F., Niesen, F. H., Ikeya, T., Weber, T. A., Schäfer, B., Bullock, A. N., Yang, A., Güntert, P. , Knapp, S., McKeon, F., Der Ou, H. & Dötsch, V. Conformational stability and activity of p73 require a second helix in the tetramerization domain. Cell Death Diff. 16, 1582–1589 (2009)

• He, F., Saito, K., Kobayashi, N., Harada, T., Watanabe, S., Kigawa, T, Güntert, P., Unzai, S., Muto, Y. & Yokoyama, S. Structural and functional characterization of the NHR1 domain of the Drosophila Neuralized E3 ligase in the Notch signaling pathway. J. Mol. Biol. 393, 478-495 (2009)

• Khayrutdinov, B. I., Bae, W. J., Yun, Y. M., Lee, J. H., Tsuyama, T., Kim, J. J., Hwang, E., Ryu, K. S., Cheong, H. K., Cheong, C., Ko, J. S., Enomoto, T., Karplus, P. A., Güntert, P., Tada, S., Jeon, Y. H. & Cho, Y. Structure of the Cdt1 C-terminal domain: Conservation of the winged helix fold in replication licensing factors. Protein Sci. 18, 2252-2264 (2009)

• Rosato, A., Bagaria, A., Baker, D., Bardiaux, B., Cavalli, A., Doreleijers, J. F., Giachetti, A., Guerry, P., Güntert, P., Herrmann, T., Huang, Y. J., Jonker, H. R. A., Mao, B., Malliavin, T. E., Montelione, G. T., Nilges, M., Raman, S., van der Schot, G., Vranken, W., Vuister, G. W. & Bonvin, A. M. J. J. CASD-NMR: a rolling experiment for the critical assessment of automated structure determination of proteins from NMR data. Nature Methods 6, 625–626 (2009)

• Ikeya, T., Takeda, M., Yoshida, H., Terauchi, T., Jee, J., Kainosho, M. & Güntert, P. Automated NMR structure determination of stereo-array isotope labeled ubiquitin from minimal sets of spectra using the SAIL-FLYA system. J. Biomol. NMR 44, 261-272 (2009)

• Tsuda, K., Kuwasako, K., Takahashi, M., Someya, T., Inoue, M., Terada, T., Kobayashi, N., Shirouzu, M., Kigawa, T., Tanaka, A., Sugano, S., Güntert, P., Muto, Y. & Yokoyama, S. Structural basis for the sequence specific RNA-recognition mechanism of human CUG-BP1 RRM3. Nucl. Acids Res. 37, 5151–5166 (2009)

• Ito, Y. & Güntert, P. Seeing proteins in living cells. BIOforum Europe 13(5), 25–27 (2009)

• Sakakibara, D., Sasaki, A., Ikeya, T., Hamatsu, J., Hanashima, T., Mishima, M., Yoshimasu, M., Hayashi, N., Mikawa, T., Wälchli, M., Smith, B. O., Shirakawa, M., Güntert, P. & Ito, Y. Protein structure determination in living cells by in-cell NMR spectroscopy. Nature 458, 102-105 (2009)

• He, F., Dang, W., Saito, K., Watanabe, S., Kobayashi, N., Güntert, P., Kigawa, T, Tanaka, A., Muto, Y. & Yokoyama, S. Solution structure of the cysteine-rich domain in Fn14, a member of the tumor necrosis factor receptor superfamily. Protein Sci. 18, 650–656 (2009)

• Peroza, E. A., Schmucki, R., Güntert, P., Freisinger, E. & Zerbe O. The β_E-domain of Wheat E_c-1 metallothionein: A metal-binding domain with a distinctive structure. J. Mol. Biol. 387, 207–218 (2009)

• He, F., Dang, W., Abe, C., Tsuda, K., Inoue, M., Watanabe, S., Kobayashi, N., Kigawa, T, Matsuda, T., Yabuki, T., Aoki, M., Seki, E., Harada, T., Tomabechi, Y., Terada, T., Shirouzu, M., Tanaka, A., Güntert, P., Muto, Y. & Yokoyama, S. Solution structure of the RNA binding domain in the human muscleblind-like protein 2. Protein Sci. 18, 80-91 (2009)

• Güntert, P. Automated structure determination from NMR Spectra. Eur. Biophys. J. 38, 129-143 (2009)

• Schmucki, R., Yokoyama, S. & Güntert, P. Automated assignment of NMR chemical shifts using peak-particle dynamics simulation with the DYNASSIGN algorithm. J. Biomol. NMR 43, 97-109 (2009)

• Ohnishi, S. Pääkkönen, K., Koshiba, S., Tochio, N., Sato, M., Kobayashi, N., Harada, T., Watanabe, S., Muto, Y., Güntert, P., Tanaka, A., Kigawa, T. & Yokoyama, S. Solution structure of the GUCT domain from human RNA helicase II/Guβ reveals the RRM fold, but implausible RNA interactions. Proteins 74, 133–144 (2009)

2008

• Takeda, M., Sugimori, N., Torizawa, T., Terauchi, T., Ono, A. M., Yagi, H., Yamaguchi, Y., Kato, K., Ikeya, T., Jee, J., Güntert, P., Aceti, D. J., Markley, J. L. & Kainosho, M. Structure of the putative 32 kDa myrosinase binding protein from Arabidopsis (At3g16450.1) determined by SAIL-NMR. FEBS J. 275, 5873–5884 (2008)

• Yoshida, H., Furuya, N., Lin, Y. J., Güntert, P., Komano, T. & Kainosho, M. Structural basis of the role of the NikA ribbon-helix-helix domain in initiating bacterial conjugation. J. Mol. Biol. 384, 690–701 (2008)

• Lin, Y. J., Umehara, T., Inoue, M., Saito, K., Kigawa, T., Jang, M. K., Ozato, K., Yokoyama, S., Padmanabhan, B., Güntert, P. Solution structure of the extraterminal domain of the bromodomain-containing protein BRD4. Protein Sci. 17, 2174–2179 (2008)

• Koglin, A., Löhr, F., Bernhard, F., Rogov, V. R., Frueh, D. P., Strieter, E. R., Mofid, M. R., Güntert, P., Wagner, G., Walsh, C. T., Marahiel, M. A. & Dötsch, V. Structural basis for the selectivity of the external thioesterase of the surfactin-synthetase. Nature 454, 907–911 (2008)

• Nagata, T., Suzuki, S., Endo, R., Shirouzu, M., Terada, T., Inoue, M., Kigawa, T, Güntert, P., Hayashizaki, Y., Muto, Y. & Yokoyama, S. The RRM domain of poly(A)-specific ribonuclease has a non-canonical binding site for mRNA cap analog recognition. Nucl. Acids Res. 36, 4754–4767 (2008)

• Takeda, M., Chang, C. K., Ikeya, T., Güntert, P., Chang, Y. H., Hsu, Y. L., Huang, T. H. & Kainosho, M. Solution structure of the C-terminal dimerization domain of SARS coronavirus nucleocapsid protein determined by the SAIL-NMR method. J. Mol. Biol. 380, 608–622 (2008)

• Reckel, S., Sobhanifar, S., Schneider, B., Junge, F., Schwarz, D., Durst, F., Löhr, F., Güntert, P., Bernhard, F. & Dötsch, V. Transmembrane segment enhanced labeling as a tool for the backbone assignment of helical membrane proteins. Proc. Natl. Acad. Sci. USA 105, 8262–8267 (2008)

• Kuwasako, K., Takahashi, M., Tochio, N., Abe, C., Tsuda, K., Inoue, M., Terada, T., Shirouzu, M., Kobayashi, N., Kigawa, T., Taguchi, S., Tanaka, A., Hayashizaki, Y., Güntert, P., Muto, Y. & Yokoyama, S. Solution structure of the second RNA recognition motif (RRM) domain of murine T cell intracellular antigen-1 (TIA-1) and its RNA recognition mode. Biochemistry 47, 6437–6450 (2008)

• Kuwasako, K., Dohmae, N., Inoue, M., Shirouzu, M., Taguchi, S., Güntert, P., Séraphin, B., Muto, Y. & Yokoyama, S. Complex assembly mechanism and an RNA-binding mode of the human p14-SF3b155 spliceosomal protein complex identified by NMR solution structure and functional analyses. Proteins 71, 1617–1636 (2008)

2007

• Ikeya, T., Güntert, P. & Kainosho, M. NMRによる蛋白質構造決定の自動化. In 計算シミュレーションと分析データ解析. Maruzen, Tokyo, pp. 148–166 (2007) (in Japanese)

• Takeda, M., Ikeya, T., Güntert, P. & Kainosho, M. Automated structure determination of proteins with the SAIL-FLYA NMR method. Nature Protocols 2, 2896–2902 (2007)

• Kobayashi, N., Iwahara, J., Koshiba, S., Tomizawa, T., Tochio, N., Güntert, P., Kigawa, T. & Yokoyama, S. KUJIRA, a package of integrated modules for systematic and interactive analysis of NMR data directed to high-throughput NMR structure studies. J. Biomol. NMR 39, 31–52 (2007)

• Hwang, E., Ryu, K. S., Pääkkönen, K., Güntert, P., Cheong, H. K., Lim, D. S., Lee, J. O., Jeon, Y. H. & Cheong, C. Structural insight into dimeric interaction of the SARAH domains from Mst1 and RASSF family proteins in the apoptosis pathway. Proc. Natl. Acad. Sci. USA 104, 9236–9241 (2007)

• Ohnishi, S. Güntert, P., Koshiba, S., Tomizawa, T., Akasaka, R., Tochio, N., Sato, M., Inoue, M., Harada, T., Watanabe, S., Tanaka, T., Shirouzu, M., Kigawa, T. & Yokoyama, S. Solution structure of an atypical WW domain in a novel β-clam-like dimeric form. FEBS Lett. 581, 462–468 (2007)

2006

• Jurt, S., Aemissegger, A., Güntert, P., Zerbe, O. & Hilvert, D. A photoswitchable miniprotein based on the sequence of avian pancreatic polypeptide. Angew. Chem. Int. Ed. 45, 6297-6300 (2006)

• Kuwasako, K., He, F., Inoue, M., Tanaka, A., Sugano, S., Güntert, P., Muto, Y. & Yokoyama, S. Solution structures of the SURP domains and the subunit-assembly mechanism within the splicing factor SF3a complex in 17S U2 snRNP. Structure 14, 1677–1689 (2006)

• López-Méndez, B. & Güntert, P. Automated protein structure determination from NMR spectra. J. Am. Chem. Soc. 128, 13112–13122 (2006)

• Pääkkönen, K., Tossavainen, H., Permi, P., Rakkolainen, H., Rauvala, H., Raulo, E., Kilpeläinen, I. & Güntert, P. Solution structures of the first and fourth TSR domains of F-spondin. Proteins 64, 665–672 (2006)

• Kainosho, M. & Güntert, P. 高分子量タンパク質のNMR構造決定-より速く、より正確に: タンパク質NMRの常識を覆す革新技術SAIL法. Stereo-array isotope labeling for faster and more accurate NMR structure determinations of high molecular weight proteins. Biotechnology J. (Tokyo) 6, 467–470 (2006) (in Japanese)

• Scott, A., López-Méndez, B. & Güntert, P. Fully automated structure determinations of the Fes SH2 domain using different sets of NMR spectra. Magn. Reson. Chem. 44, S83–S88 (2006)

• Ikeya, T., Terauchi, T., Güntert, P., Kainosho, M. Evaluation of stereo-array isotope labeling (SAIL) patterns for automated structural analysis of proteins with CYANA. Magn. Reson. Chem. 44, S152–S157 (2006)

• Hamada, T., Ito, Y., Abe, T., Hayashi, F., Güntert, P., Inoue, M., Kigawa, T., Terada, T., Shirouzu, M., Yoshida, M., Tanaka, A., Sugano, S., Yokoyama, S. & Hirota, H. Solution structure of the antifreeze-like domain of human sialic acid synthase. Protein Sci. 15, 1010–1016 (2006)

• Aachmann, F. L., Svanem, B. I. G., Güntert, P., Petersen, S. B., Valla, S. & Wimmer, R. NMR structure of the R-module - A parallel β-roll subunit from an Azotobacter vinelandii mannuronan C-5 epimerase. J. Biol. Chem. 281, 7350–7356 (2006)

• Kainosho, M., Torizawa, T., Iwashita, Y., Terauchi, T., Ono, A. M. & Güntert, P. Optimal isotope labeling for NMR protein structure determinations. Nature 440, 52–57 (2006)

• Güntert, P. Symbolic NMR product operator calculations. Int. J. Quant. Chem. 106, 344–350 (2006)

2005

• Li, H., Inoue, M., Yabuki, T., Aoki, M., Seki, E., Matsuda, T., Nunokawa, E., Motoda, Y., Kobayashi, A., Terada, T., Shirouzu, M., Koshiba, S., Lin, Y. J., Güntert, P., Suzuki, H., Hayashizaki, Y., Kigawa, T. & Yokoyama, S. Solution structure of the mouse enhancer of rudimentary protein reveals a novel fold. J. Biomol. NMR 32, 329–334 (2005)

• Lin, Y. J. & Güntert, P. 利用核磁共振光譜自動化決定蛋白質在水溶液中的三度空間結構. Automated 3D structure determination of proteins in solution using NMR spectra. Instruments Today 146, 87–93 (2005) (in Chinese)

• Iwai, H., Forrer, P., Plückthun, A. & Güntert, P. NMR solution structure of the monomeric form of the bacteriophage λ capsid stabilizing protein gpD. J. Biomol. NMR 31, 351–356 (2005)

• Scott, A., Pantoja-Uceda, D., Koshiba, S., Inoue, M., Kigawa, T., Terada, T., Shirouzu, M., Tanaka, A., Sugano, S., Yokoyama, S. & Güntert, P. Solution structure of the Src homology 2 domain from the human feline sarcoma oncogene Fes. J. Biomol. NMR 31, 357–361 (2005)

• Nederveen, A. J., Doreleijers, J. F., Vranken, W., Miller, Z., Spronk, C. A. E. M., Nabuurs, S. B., Güntert, P., Livny, M., Markley, J. L., Nilges, M., Ulrich, E. L., Kaptein, R. & Bonvin, A. M. J. J. RECOORD: a REcalculated COORdinates Database of 500+ proteins from the PDB using restraints from the BioMagResBank. Proteins 59, 662–672 (2005)

• Nameki, N., Tochio, N., Koshiba, S., Inoue, M., Yabuki, T., Aoki, M., Seki, E., Matsuda, T., Fujikura, Y., Saito, M., Ikari, M., Watanabe, M., Terada, T., Shirouzu, M., Yoshida, M., Hirota, H., Tanaka, A., Hayashizaki, Y., Güntert, P., Kigawa, T. & Yokoyama, S. Solution structure of the PWWP domain of the hepatoma-derived growth factor family. Protein Sci. 14, 756–764 (2005)

• Lysek, D. A., Schorn, C., Nivon, L. G., Esteve-Moya, V., Christen, B., Calzolai, L., von Schroetter, C., Fiorito, F., Herrmann, T., Güntert, P. & Wüthrich, K. Prion protein NMR structures of cat, dog, pig and sheep. Proc. Natl. Acad. Sci. USA 102, 640–645 (2005)

• Calzolai, L., Lysek, D. A., Pérez, D. R., Güntert, P. & Wüthrich, K. Prion protein NMR structures of chicken, turtle and frog. Proc. Natl. Acad. Sci. USA 102, 651–655 (2005)

• Pantoja-Uceda, D., López-Méndez, B., Koshiba, S., Inoue, M., Kigawa, T., Terada, T., Shirouzu, M., Tanaka, A., Seki, M., Shinozaki, K., Yokoyama, S. & Güntert, P. Solution structure of the rhodanese homology domain At4g01050(175–295) from Arabidopsis thaliana. Protein Sci. 14, 224–230 (2005)

2004

• Scott, A., Pantoja-Uceda, D., Koshiba, S., Inoue, M., Kigawa, T., Terada, T., Shirouzu, M., Tanaka, A., Sugano, S., Yokoyama, S. & Güntert, P. NMR assignment of the SH2 domain of the human feline sarcoma oncogene FES. J. Biomol. NMR 30, 463–464 (2004)

• Nameki, N., Yoneyama, M., Koshiba, S., Tochio, N., Inoue, M., Seki, E., Matsuda, T., Tomo, Y., Harada, T., Saito, K., Kobayashi, N., Yabuki, T., Aoki, M., Nunokawa, E., Matsuda, N., Sakagami, N., Terada, T., Shirouzu, M., Yoshida, M., Hirota, H., Osanai, T., Tanaka, A., Arakawa, T., Carninci, P., Kawai, J., Hayashizaki, Y., Kinoshita, K., Güntert, P., Kigawa, T. & Yokoyama, S. Solution structure of the RWD domain of the mouse GCN2 protein. Protein Sci. 13, 2089–2100 (2004)

• Güntert, P. Automated NMR structure calculation with CYANA. Meth. Mol. Biol. 278, 353–378 (2004)

• López-Méndez, B., Pantoja-Uceda, D., Tomizawa, T., Koshiba, S., Kigawa, T., Shirouzu, M., Terada, T., Inoue, M., Yabuki, T., Aoki, M., Seki, E., Matsuda, T., Hirota, H., Yoshida, M., Tanaka, A., Osanai, T., Seki, M., Shinozaki, K., Yokoyama, S. & Güntert, P. NMR assignment of the hypothetical ENTH-VHS domain At3g16270 from Arabidopsis thaliana. J. Biomol. NMR 29, 205–206 (2004)

• Pantoja-Uceda, D., López-Méndez, B., Koshiba, S., Kigawa, T., Shirouzu, M., Terada, T., Inoue, M., Yabuki, T., Aoki, M., Seki, E., Matsuda, T., Hirota, H., Yoshida, M., Tanaka, A., Osanai, T., Seki, M., Shinozaki, K., Yokoyama, S. & Güntert, P. NMR assignment of the hypothetical rhodanese domain At4g01050 from Arabidopsis thaliana. J. Biomol. NMR 29, 207–208 (2004)

• Fernández, C., Hilty, C., Wider, G., Güntert, P. & Wüthrich, K. NMR structure of the integral membrane protein OmpX. J. Mol. Biol. 336, 1211–1221 (2004)

• Iwai, H., Forrer, P., Plückthun, A. & Güntert, P. Assignments of ¹H and ¹⁵N resonances of the bacteriophage λ capsid stabilizing protein gpD. J. Biomol NMR 28, 89–90 (2004)

2003

• Güntert, P. Automated NMR protein structure calculation. Prog. NMR Spectrosc. 43, 105–125 (2003)

• Vanwetswinkel, S., Kriek, J., Andersen, G. R., Güntert, P., Dijk, P., Canters, G. W. & Siegal, G. Solution structure of the 162 residue C-terminal domain of human elongation factor 1Bγ. J. Biol. Chem. 278, 43443–43451 (2003)

• Jee, J. G. & Güntert, P. Influence of the completeness of chemical shift assignments on NMR structures obtained with automated NOE assignment. J. Struct. Funct. Genom. 4, 179–189 (2003)

• Hilge, M., Siegal, G., Vuister, G. W., Güntert, P., Gloor, S. M. & Abrahams, J. P. ATP-induced conformational changes of the nucleotide-binding domain of Na,K-ATPase. Nat. Struct. Biol. 10, 468–474 (2003)

• Lührs, T., Riek, R., Güntert, P. & Wüthrich, K. NMR structure of the human doppel protein. J. Mol. Biol. 326, 1549–1557 (2003)

• Zahn, R., Güntert, P. & Wüthrich, K. NMR structure of a variant human prion protein with two disulfide bonds. J. Mol. Biol. 326, 225–234 (2003)

2002

• Herrmann, T., Güntert, P. & Wüthrich, K. Protein NMR structure determination with automated NOE-identification in the NOESY spectra using the new software ATNOS. J. Biomol. NMR 24, 171–189 (2002)

• Güntert, P. Structure calculation using automated techniques. Meth. Principles Med. Chem. 16, 39–66 (2002)

• Enggist, E., Thöny-Meyer, L., Güntert, P. & Pervushin, K. NMR structure of the heme chaperone CcmE reveals a new functional motif. Structure 10, 1551–1557 (2002)

• Lee, D., Damberger, F. D., Peng, G., Horst, R., Güntert, P., Nikonova, L., Leal, W. S. & Wüthrich, K. NMR structure of the unliganded Bombyx mori pheromone-binding protein at physiological pH. FEBS Lett. 531, 314–318 (2002)

• Ellgaard, L., Bettendorff, P., Braun, D., Herrmann, T., Fiorito, F., Jelesarov, I., Güntert, P., Helenius, A. & Wüthrich, K. NMR Structures of 36 and 73-residue fragments of the calreticulin P-domain. J. Mol. Biol. 322, 773–784 (2002)

• Herrmann, T., Güntert, P. & Wüthrich, K. Protein NMR structure determination with automated NOE assignment using the new software CANDID and the torsion angle dynamics algorithm DYANA. J. Mol. Biol. 319, 209–227 (2002)

• Miura, T., Klaus, W., Ross, A., Güntert, P., Senn, H. The NMR structure of the class I human ubiquitin-conjugating enzyme 2b. J. Biomol. NMR 22, 89–92 (2002)

2001

• Horst, R., Damberger, F., Luginbühl, P., Güntert, P., Peng, G., Nikonova, L., Leal, W. S. & Wüthrich, K. NMR structure reveals intramolecular regulation mechanism for pheromone binding and release. Proc. Natl. Acad. Sci. USA 98, 14374–14379 (2001)

• Riek, R., Güntert, P., Döbeli, H., Wipf, B. & Wüthrich, K. NMR studies in aqueous solution fail to identify significant conformational differences between the monomeric forms of two Alzheimer peptides with widely different plaque-competence, Aβ(1–40)^ox and Aβ(1– 42)^ox. Eur. J. Biochem. 268, 5930–5936 (2001)

• Güntert, P. & Wüthrich, K. Sampling of conformation space in torsion angle dynamics calculations. Comp. Phys. Commun. 138, 155–169 (2001)

• Ellgaard, L., Riek, R., Herrmann, T., Güntert, P., Braun, D., Helenius, A. & Wüthrich, K. NMR structure of the calreticulin P-domain. Proc. Natl. Acad. Sci. USA 98, 3133–3138 (2001)

2000

• Güntert, P., Salzmann, M., Braun, D. & Wüthrich, K. Sequence-specific NMR assignments of proteins by global fragment mapping with the program MAPPER. J. Biomol. NMR 18, 129–137 (2000)

• Calzolai, L., Lysek, D. A., Güntert, P., von Schroetter, C., Riek, R., Zahn, R. & Wüthrich, K. NMR structures of three single-residue variants of the human prion protein. Proc. Natl. Acad. Sci. USA 97, 8340–8345 (2000)

• Koradi, R., Billeter, M. & Güntert, P. Point-centered domain decomposition for parallel molecular dynamics simulation. Comp. Phys. Commun. 124, 139–147 (2000)

1999

• Riek, R., Prêcheur, B., Wang, Y., Wider, G., Güntert, P., Liu, A., Kägi, J. H. R. & Wüthrich, K. NMR structure of the sea urchin (Strongylocentrotus purpuratus) metallothionein MTA. J. Mol. Biol. 291, 417–428 (1999)

• Güntert, P. Megahertz and Gigaflops: NMR protein structure determination and high- performance computing. Speedup J. 12, 47–52 (1999)

1998

• Güntert, P., Billeter, M., Ohlenschläger, O., Brown, L. & Wüthrich, K. Conformational analysis of protein and nucleic acid fragments with the new grid search algorithm FOUND. J. Biomol. NMR 12, 543–548 (1998)

• Banci, L., Bertini, I., Cremonini, M. A., Gori-Savellini, G., Luchinat, C., Wüthrich, K. & Güntert, P. PSEUDYANA for NMR structure calculation of paramagnetic metalloproteins using torsion angle molecular dynamics. J. Biomol. NMR 12, 553–557 (1998)

• Koradi, R., Billeter, M., Engeli, M., Güntert, P. & Wüthrich, K. Automated peak picking and peak integration in macromolecular NMR spectra using AUTOPSY. J. Magn. Reson.135, 288-297 (1998)

• Güntert, P. Structure calculation of biological macromolecules from NMR data. Q. Rev. Biophys. 31, 145–237 (1998)

• Pellecchia, M., Güntert, P., Glockshuber, R. & Wüthrich, K. The NMR solution structure of the periplasmic chaperone FimC. Nature Struct. Biol. 5, 885–890 (1998)

• Pellecchia, M., Güntert, P., Glockshuber, R. & Wüthrich, K. Sequence-specific ¹H, ¹⁵N and ¹³C assignments of the periplasmic chaperone FimC from Escherichia coli. J. Biomol. NMR 11, 229–230 (1998)

1997

• Billeter, M., Güntert, P., Luginbühl, P., Koradi, R. & Wüthrich, K. Biological macromolecules studied by molecular dynamics simulations. Crosscuts 6, 19–21 (1997)

• Mumenthaler, C., Güntert, P., Braun, W. & Wüthrich, K. Automated combined assignment of NOESY spectra and three-dimensional protein structure determination. J. Biomol. NMR 10, 351–362 (1997)

• Güntert, P., Mumenthaler, C. & Wüthrich, K. Torsion angle dynamics for NMR structure calculation with the new program DYANA. J. Mol. Biol. 273, 283–298 (1997)

• Ottiger, M., Zerbe, O., Güntert, P. & Wüthrich, K. The NMR solution conformation of unligated human Cyclophilin A. J. Mol. Biol. 272, 64–81 (1997)

• Güntert, P. Calculating protein structures from NMR data. Meth. Mol. Biol. 60, 157–194 (1997)

• Bartels, C., Güntert, P., Billeter, M. & Wüthrich, K. GARANT—A general algorithm for resonance assignment of multidimensional nuclear magnetic resonance spectra. J. Comp. Chem. 18, 139–149 (1997)

1996

• Wüthrich, K., Billeter, M., Güntert, P., Luginbühl, P., Riek, R. & Wider, G. NMR studies of hydration of biological macromolecules. Faraday Discuss. 103, 245–253 (1996)

• Arbenz, P., Billeter, M., Güntert, P., Luginbühl, P., Taufer, M. & von Matt, U. Molecular dynamics simulations on Cray clusters using the SCIDDLE-PVM environment. Lecture Notes in Computer Science 1156, 142–149 (1996)

• Luginbühl, P., Güntert, P., Billeter, M. & Wüthrich K. The new program OPAL for molecular dynamics simulations and energy refinements of biological macromolecules. J. Biomol. NMR 8, 136–146 (1996)

• Antuch, W., Güntert, P. & Wüthrich, K. Ancestral βγ-crystallin precursor structure in a yeast killer toxin. Nature Struct. Biol. 3, 662–665 (1996)

• Billeter, M., Güntert, P., Luginbühl, P. & Wüthrich, K. Hydration and DNA recognition by homeodomains. Cell 85, 1057–1065 (1996)

• Bartels, C., Billeter, M., Güntert, P. & Wüthrich, K. Automated sequence-specific NMR assignment of homologous proteins using the program GARANT. J. Biomol. NMR 7, 207–213 (1996)

• Berndt, K. D., Güntert, P. & Wüthrich, K. Conformational sampling by NMR solution structures calculated with the program DIANA evaluated by comparison with long-time molecular dynamics calculations in explicit water. Proteins 24, 304–313 (1996)

1995

• Bartels, C., Güntert, P. & Wüthrich, K. IFLAT—A new automatic baseline-correction method for multidimensional NMR spectra with strong solvent signals. J. Magn. Reson. A 117, 330–333 (1995)

• Brunne, R. M., Berndt, K. D., Güntert, P., Wüthrich, K. & van Gunsteren, W. F. Structure and internal dynamics of the bovine pancreatic trypsin inhibitor in aqueous solution from long-time molecular dynamics simulations. Proteins 23, 49–62 (1995)

• Bartels, C., Xia, T., Billeter, M., Güntert, P. & Wüthrich, K. The program XEASY for computer-supported NMR spectral analysis of biological macromolecules. J. Biomol. NMR 6, 1–10 (1995)

1994

• Güntert, P. Computer–supported protein structure determination by NMR. In Statistical mechanics, protein structure and protein–substrate interactions (Ed. S. Doniach), Plenum Press, New York, pp. 197–207 (1994)

• Antuch, W., Güntert, P., Billeter, M., Hawthorne, T., Grossenbacher, H. & Wüthrich, K. NMR solution structure of the recombinant tick anticoagulant protein (rTAP), a factor Xa inhibitor from the tick Ornithodoros moubata. FEBS Lett. 352, 251–257 (1994)

1993

• Wüthrich, K., Güntert, P. & Berndt, K. D. Computer–supported NMR structure determination of proteins in solution illustrated with studies of protein proteinase inhibitors. In Proceedings of the workshop on innovations on proteases and their inhibitors: fundamental and applied aspects (Ed. F. X. Avilés), de Gruyter, Berlin (1993)

• Berndt, K. D., Güntert, P. & Wüthrich, K. The NMR solution structure of dendrotoxin K from the venom of Dendroaspis polylepis polylepis. J. Mol. Biol. 234, 735–750 (1993)

• Güntert, P., Berndt, K. D. & Wüthrich, K. The program ASNO for computer-supported collection of NOE upper distance constraints as input for protein structure determination. J. Biomol. NMR 3, 601–606 (1993)

• Güntert, P., Schaefer, N., Otting, G. & Wüthrich K. POMA, a complete Mathematica implementation of the NMR product operator formalism. J. Magn. Reson. A 101, 103–105 (1993)

• Szyperski, T., Luginbühl, P., Otting, G., Güntert, P. & Wüthrich, K. Protein dynamics studied by rotating frame ¹⁵N spin relaxation times. J. Biomol. NMR 3, 151–164 (1993)

• Güntert, P. Neue Rechenverfahren für die Proteinstrukturbestimmung mit Hilfe der magnetischen Kernspinresonanz. Ph.D. Thesis ETH 10135 (1993)

1992

• Szyperski, T., Güntert, P., Stone, S. R. & Wüthrich, K. NMR solution structure of hirudin(1–51) and comparison with corresponding three-dimensional structures determined using the complete 65-residue hirudin polypeptide chain. J. Mol. Biol. 228, 1193–1205 (1992)

• Szyperski, T., Güntert, P., Stone, S. R., Tulinsky, A., Bode, W., Huber, R. & Wüthrich, K. Impact of protein-protein contacts on the conformation of thrombin-bound hirudin studied by comparison with the NMR solution structure of hirudin(1–51). J. Mol. Biol. 228, 1206–1211 (1992)

• Güntert, P., Dötsch, V., Wider, G. & Wüthrich K. Processing of multi-dimensional NMR data with the new software PROSA. J. Biomol. NMR 2, 619–629 (1992)

• Berndt, K. D., Güntert, P., Orbons, L. P. M. & Wüthrich, K. Determination of a high-quality NMR solution structure of the bovine pancreatic trypsin inhibitor (BPTI) and comparison with three crystal structures. J. Mol. Biol. 227, 757–775 (1992)

• Szyperski, T., Güntert, P., Otting, G. & Wüthrich, K. Determination of scalar coupling constants by inverse Fourier transformation of in-phase multiplets. J. Magn. Reson. 99, 552– 560 (1992)

• Güntert, P. & Wüthrich, K. FLATT—A new procedure for high-quality baseline correction of two- and higher-dimensional NMR spectra. J. Magn. Reson. 96, 403–407 (1992)

1991

• Mertz, J. E., Güntert, P., Wüthrich, K. & Braun, W. Complete relaxation matrix refinement of NMR structures of proteins using analytically calculated dihedral angle derivatives of NOE intensities. J. Biomol. NMR 1, 257–269 (1991)

• Eccles, C., Güntert, P., Billeter, M. & Wüthrich, K. Efficient analysis of protein 2D NMR spectra using the software package EASY. J. Biomol. NMR 1, 111–130 (1991)

• Güntert, P. & Wüthrich, K. Improved efficiency of protein structure calculations from NMR data using the program DIANA with redundant dihedral angle constraints. J. Biomol. NMR 1, 447–456 (1991)

• Güntert, P., Braun, W. & Wüthrich, K. Efficient computation of three-dimensional protein structures in solution from nuclear magnetic resonance data using the program DIANA and the supporting programs CALIBA, HABAS and GLOMSA. J. Mol. Biol. 217, 517–530 (1991)

• Güntert, P., Qian, Y. Q., Otting, G., Müller, M., Gehring, W. J. & Wüthrich K. Structure determination of the Antp(C39S) homeodomain from nuclear magnetic resonance data in solution using a novel strategy for the structure calculation with the programs DIANA, CALIBA, HABAS and GLOMSA. J. Mol. Biol. 217, 531–540 (1991)

1989

• Güntert, P., Braun, W., Billeter, M. & Wüthrich, K. Automated stereospecific ¹H NMR assignments and their impact on the precision of protein structure determinations in solution. J. Am. Chem. Soc. 111, 3997–4004 (1989)

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