{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,3]],"date-time":"2026-10-03T03:55:52Z","timestamp":1790999752066,"version":"4.1.0"},"reference-count":79,"publisher":"Springer Science and Business Media LLC","issue":"2","license":[{"start":{"date-parts":[[2017,12,9]],"date-time":"2017-12-09T00:00:00Z","timestamp":1512777600000},"content-version":"unspecified","delay-in-days":0,"URL":"http:\/\/www.springer.com\/tdm"}],"funder":[{"DOI":"10.13039\/501100001809","name":"Natural Science Foundation of China","doi-asserted-by":"crossref","award":["21673122"],"award-info":[{"award-number":["21673122"]}],"id":[{"id":"10.13039\/501100001809","id-type":"DOI","asserted-by":"crossref"}]},{"DOI":"10.13039\/501100001809","name":"Natural Science Foundation of China","doi-asserted-by":"crossref","award":["21473095"],"award-info":[{"award-number":["21473095"]}],"id":[{"id":"10.13039\/501100001809","id-type":"DOI","asserted-by":"crossref"}]}],"content-domain":{"domain":["link.springer.com"],"crossmark-restriction":false},"short-container-title":["J Biomol NMR"],"published-print":{"date-parts":[[2018,2]]},"DOI":"10.1007\/s10858-017-0160-3","type":"journal-article","created":{"date-parts":[[2017,12,9]],"date-time":"2017-12-09T04:04:57Z","timestamp":1512792297000},"page":"77-92","update-policy":"https:\/\/doi.org\/10.1007\/springer_crossmark_policy","source":"Crossref","is-referenced-by-count":16,"title":["Stable and rigid DTPA-like paramagnetic tags suitable for in vitro and in situ protein NMR analysis"],"prefix":"10.1007","volume":"70","author":[{"given":"Jia-Liang","family":"Chen","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Yu","family":"Zhao","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Yan-Jun","family":"Gong","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Bin-Bin","family":"Pan","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Xiao","family":"Wang","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-3051-0047","authenticated-orcid":false,"given":"Xun-Cheng","family":"Su","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"297","published-online":{"date-parts":[[2017,12,9]]},"reference":[{"key":"160_CR1","doi-asserted-by":"crossref","first-page":"9246","DOI":"10.1021\/ja011025g","volume":"123","author":"MA Anderson","year":"2001","unstructured":"Anderson MA, Shim H, Raushel FM, Cleland WW (2001) Hydrolysis of phosphotriesters: determination of transition states in parallel reactions by heavy-atom isotope effects. J Am Chem Soc 123:9246\u20139253","journal-title":"J Am Chem Soc"},{"key":"160_CR2","doi-asserted-by":"crossref","first-page":"1101","DOI":"10.1038\/nprot.2016.061","volume":"11","author":"L Barbieri","year":"2016","unstructured":"Barbieri L, Luchinat E, Banci L (2016) Characterization of proteins by in-cell NMR spectroscopy in cultured mammalian cells. Nat Protoc 11:1101\u20131111","journal-title":"Nat Protoc"},{"key":"160_CR3","doi-asserted-by":"crossref","first-page":"249","DOI":"10.1016\/S0079-6565(02)00002-X","volume":"40","author":"I Bertini","year":"2002","unstructured":"Bertini I, Luchinat C, Parigi G (2002) Magnetic susceptibility in paramagnetic NMR. Prog Nucl Magn Reson Spectrosc 40:249\u2013273","journal-title":"Prog Nucl Magn Reson Spectrosc"},{"key":"160_CR4","doi-asserted-by":"crossref","first-page":"6841","DOI":"10.1073\/pnas.0308641101","volume":"101","author":"I Bertini","year":"2004","unstructured":"Bertini I, Del Bianco C, Gelis I, Katsaros N, Luchinat C, Parigi G, Peana M, Provenzani A, Zoroddu MA (2004) Experimentally exploring the conformational space sampled by domain reorientation in calmodulin. Proc Natl Acad Sci USA 101:6841\u20136846","journal-title":"Proc Natl Acad Sci USA"},{"key":"160_CR5","doi-asserted-by":"crossref","first-page":"13553","DOI":"10.1021\/ja1063923","volume":"132","author":"I Bertini","year":"2010","unstructured":"Bertini I, Giachetti A, Luchinat C, Parigi G, Petoukhov MV, Pierattelli R, Ravera E, Svergun DI (2010) Conformational space of flexible biological macromolecules from average data. J Am Chem Soc 132:13553\u201313558","journal-title":"J Am Chem Soc"},{"key":"160_CR6","doi-asserted-by":"crossref","first-page":"9149","DOI":"10.1039\/c2cp40139h","volume":"14","author":"I Bertini","year":"2012","unstructured":"Bertini I, Luchinat C, Nagulapalli M, Parigi G, Ravera E (2012) Paramagnetic relaxation enhancement for the characterization of the conformational heterogeneity in two-domain proteins. Phys Chem Chem Phys 14:9149\u20139156","journal-title":"Phys Chem Chem Phys"},{"key":"160_CR7","doi-asserted-by":"crossref","first-page":"7470","DOI":"10.1021\/acs.biochem.5b01138","volume":"54","author":"C Camilloni","year":"2015","unstructured":"Camilloni C, Vendruscolo M (2015) Using pseudocontact shifts and residual dipolar couplings as exact NMR restraints for the determination of protein structural ensembles. Biochemistry 54:7470\u20137476","journal-title":"Biochemistry"},{"key":"160_CR8","doi-asserted-by":"crossref","first-page":"251","DOI":"10.1007\/s10858-014-9844-0","volume":"59","author":"C Cao","year":"2014","unstructured":"Cao C, Chen JL, Yang Y, Huang F, Otting G, Su XC (2014) Selective 15N-labeling of the side-chain amide groups of asparagine and glutamine for applications in paramagnetic NMR spectroscopy. J Biomol NMR 59:251\u2013261","journal-title":"J Biomol NMR"},{"key":"160_CR9","doi-asserted-by":"crossref","first-page":"13744","DOI":"10.1002\/anie.201606223","volume":"55","author":"JL Chen","year":"2016","unstructured":"Chen JL, Wang X, Yang F, Cao C, Otting G, Su XC (2016a) 3D structure determination of an unstable transient enzyme intermediate by paramagnetic NMR spectroscopy. Angew Chem Int Ed 55:13744\u201313748","journal-title":"Angew Chem Int Ed"},{"key":"160_CR10","doi-asserted-by":"crossref","first-page":"5850","DOI":"10.1039\/C5CP07196H","volume":"18","author":"JL Chen","year":"2016","unstructured":"Chen JL, Yang Y, Zhang LL, Liang H, Huber T, Su XC, Otting G (2016b) Analysis of the solution conformations of T4 lysozyme by paramagnetic NMR spectroscopy. Phys Chem Chem Phys 18:5850\u20135859","journal-title":"Phys Chem Chem Phys"},{"key":"160_CR11","doi-asserted-by":"crossref","first-page":"4108","DOI":"10.1021\/cr900033p","volume":"109","author":"GM Clore","year":"2009","unstructured":"Clore GM, Iwahara J (2009) Theory, practice, and applications of paramagnetic relaxation enhancement for the characterization of transient low-population states of biological macromolecules and their complexes. Chem Rev 109:4108\u20134139","journal-title":"Chem Rev"},{"key":"160_CR12","doi-asserted-by":"crossref","first-page":"1486","DOI":"10.1039\/c1gc15213k","volume":"13","author":"Y Ding","year":"2011","unstructured":"Ding Y, Zhao W, Song W, Zhao Z, Ma B (2011) Mild and recyclable catalytic oxidation of pyridines to N-oxides with H2O2 in water mediated by a vanadium-substituted polyoxometalate. Green Chem 13:1486\u20131489","journal-title":"Green Chem"},{"key":"160_CR13","doi-asserted-by":"crossref","first-page":"223","DOI":"10.1023\/A:1011206132740","volume":"20","author":"P Dosset","year":"2001","unstructured":"Dosset P, Hus JC, Marion D, Blackledge M (2001) A novel interactive tool for rigid-body modeling of multi-domain macromolecules using residual dipolar couplings. J Biomol NMR 20:223\u2013231","journal-title":"J Biomol NMR"},{"key":"160_CR14","doi-asserted-by":"crossref","first-page":"2652","DOI":"10.1016\/j.ccr.2013.02.009","volume":"257","author":"M Fragai","year":"2013","unstructured":"Fragai M, Luchinat C, Parigi G, Ravera E (2013) Conformational freedom of metalloproteins revealed by paramagnetism-assisted NMR. Coord Chem Rev 257:2652\u20132667","journal-title":"Coord Chem Rev"},{"key":"160_CR15","doi-asserted-by":"crossref","first-page":"143","DOI":"10.1023\/A:1020948529076","volume":"24","author":"V Gaponenko","year":"2002","unstructured":"Gaponenko V, Altieri AS, Li J, Byrd RA (2002) Breaking symmetry in the structure determination of (large) symmetric protein dimers. J Biomol NMR 24:143\u2013148","journal-title":"J Biomol NMR"},{"key":"160_CR16","doi-asserted-by":"crossref","first-page":"2118","DOI":"10.1021\/bc200353c","volume":"22","author":"B Graham","year":"2011","unstructured":"Graham B, Loh CT, Swarbrick JD, Ung P, Shin J, Yagi H, Jia X, Chhabra S, Barlow N, Pintacuda G, Huber T, Otting G (2011) DOTA-amide lanthanide tag for reliable generation of pseudocontact shifts in protein NMR spectra. Bioconjugate Chem 22:2118\u20132125","journal-title":"Bioconjugate Chem"},{"key":"160_CR17","doi-asserted-by":"crossref","first-page":"5859","DOI":"10.1021\/ja401323m","volume":"135","author":"JY Guan","year":"2013","unstructured":"Guan JY, Keizers PH, Liu WM, L\u00f6hr F, Skinner SP, Heeneman EA, Schwalbe H, Ubbink M, Siegal G (2013) Small-molecule binding sites on proteins established by paramagnetic NMR spectroscopy. J Am Chem Soc 135:5859\u20135868","journal-title":"J Am Chem Soc"},{"key":"160_CR18","doi-asserted-by":"crossref","first-page":"10300","DOI":"10.1002\/anie.201311320","volume":"53","author":"R H\u00e4nsel","year":"2014","unstructured":"H\u00e4nsel R, Luh LM, Corbeski I, Trantirek L, D\u00f6tsch V (2014) In-cell NMR and EPR spectroscopy of biomacromolecules. Angew Chem Int Ed 53:10300\u201310314","journal-title":"Angew Chem Int Ed"},{"key":"160_CR19","doi-asserted-by":"crossref","first-page":"45","DOI":"10.1016\/j.sbi.2013.11.010","volume":"24","author":"MAS Hass","year":"2014","unstructured":"Hass MAS, Ubbink M (2014) Structure determination of protein\u2013protein complexes with long-range anisotropic paramagnetic NMR restraints. Curr Opin Struct Biol 24:45\u201353","journal-title":"Curr Opin Struct Biol"},{"key":"160_CR20","doi-asserted-by":"crossref","first-page":"14761","DOI":"10.1021\/ja903233w","volume":"131","author":"D H\u00e4ussinger","year":"2009","unstructured":"H\u00e4ussinger D, Huang JR, Grzesiek S (2009) DOTA-M8: an extremely rigid, high-affinity lanthanide chelating tag for PCS NMR spectroscopy. J Am Chem Soc 131:14761\u201314767","journal-title":"J Am Chem Soc"},{"key":"160_CR21","doi-asserted-by":"crossref","first-page":"99","DOI":"10.1007\/s10858-016-0059-4","volume":"66","author":"Y Hikone","year":"2016","unstructured":"Hikone Y, Hirai G, Mishima M, Inomata K, Ikeya T, Arai S, Shirakawa M, Sodeoka M, Ito Y (2016) A new carbamidemethyl-linked lanthanoid chelating tag for PCS NMR spectroscopy of proteins in living HeLa cells. J Biolmol NMR 66:99\u2013110","journal-title":"J Biolmol NMR"},{"key":"160_CR22","doi-asserted-by":"crossref","first-page":"339","DOI":"10.1023\/B:JNMR.0000032611.72827.de","volume":"29","author":"T Ikegami","year":"2004","unstructured":"Ikegami T, Verdier L, Sakhaii P, Grimme S, Pescatore B, Saxena K, Fiebig KM, Griesinger C (2004) Novel techniques for weak alignment of proteins in solution using chemical tags coordinating lanthanide ions. J Biomol NMR 29:339\u2013349","journal-title":"J Biomol NMR"},{"key":"160_CR23","doi-asserted-by":"crossref","first-page":"273","DOI":"10.1007\/s10858-017-0106-9","volume":"67","author":"WX Jiang","year":"2017","unstructured":"Jiang WX, Gu XH, Dong X, Tang C (2017) Lanthanoid tagging via an unnatural amino acid for protein structure characterization. J Biolmol NMR 67:273\u2013282","journal-title":"J Biolmol NMR"},{"key":"160_CR24","doi-asserted-by":"crossref","first-page":"12910","DOI":"10.1021\/ja063584z","volume":"128","author":"M John","year":"2006","unstructured":"John M, Pintacuda G, Park AY, Dixon NE, Otting G (2006) Structure determination of protein\u2013ligand complexes by transferred paramagnetic shifts. J Am Chem Soc 128:12910\u201312916","journal-title":"J Am Chem Soc"},{"key":"160_CR25","doi-asserted-by":"crossref","first-page":"9292","DOI":"10.1021\/ja0725201","volume":"29","author":"PHJ Keizers","year":"2007","unstructured":"Keizers PHJ, Desreux JF, Overhand M, Ubbink M (2007) Increased paramagnetic effect of a lanthanide protein probe by two-point attachment. J Am Chem Soc 29:9292\u20139293","journal-title":"J Am Chem Soc"},{"key":"160_CR26","doi-asserted-by":"crossref","first-page":"14802","DOI":"10.1021\/ja8054832","volume":"130","author":"PHJ Keizers","year":"2008","unstructured":"Keizers PHJ, Saragliadis A, Hiruma Y, Overhand M, Ubbink M (2008) Design, synthesis, and evaluation of a lanthanide chelating protein probe: CLaNP-5 yields predictable paramagnetic effects independent of environment. J Am Chem Soc 130:14802\u201314812","journal-title":"J Am Chem Soc"},{"key":"160_CR27","doi-asserted-by":"crossref","first-page":"8421","DOI":"10.1021\/jm101288t","volume":"53","author":"I Kmentova","year":"2010","unstructured":"Kmentova I, Sutherland HS, Palmer BD, Blaser A, Franzblau SG, Wang B, Wang Y, Ma Z, Denny WA, Thompson AM (2010) Synthesis and structure\u2013activity relationships of aza- and diazabiphenyl analogues of the antitubercular drug (6S)-2-nitro-6-{[4-(trifluoromethoxy)benzyl]oxy}-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine (PA-824). J Med Chem 53:8421\u20138439","journal-title":"J Med Chem"},{"key":"160_CR28","doi-asserted-by":"crossref","first-page":"360","DOI":"10.1016\/j.pnmrs.2011.05.001","volume":"59","author":"J Koehler","year":"2011","unstructured":"Koehler J, Meiler J (2011) Expanding the utility of NMR restraints with paramagnetic compounds: background and practical aspects. Prog Nucl Magn Reson Spectrosc 59:360\u2013389","journal-title":"Prog Nucl Magn Reson Spectrosc"},{"key":"160_CR29","doi-asserted-by":"crossref","first-page":"1471","DOI":"10.1126\/science.1157092","volume":"320","author":"OF Lange","year":"2008","unstructured":"Lange OF, Lakomek NA, Far\u00e8s C, Schr\u00f6der GF, Walter KFA, Becker S, Meiler J, Grubm\u00fcller H, Griesinger C, de Groot BL (2008) Recognition dynamics up to microseconds revealed from an RDC-derived ubiquitin ensemble in solution. Science 320:1471\u20131475","journal-title":"Science"},{"key":"160_CR30","doi-asserted-by":"crossref","first-page":"2614","DOI":"10.1039\/C4SC03892D","volume":"6","author":"MD Lee","year":"2015","unstructured":"Lee MD, Loh CT, Shin J, Chhabra S, Dennis ML, Otting G, Swarbrick JD, Graham B (2015) Compact, hydrophilic, lanthanide-binding tags for paramagnetic NMR spectroscopy. Chem Sci 6:2614\u20132624","journal-title":"Chem Sci"},{"key":"160_CR31","doi-asserted-by":"crossref","first-page":"3342","DOI":"10.1002\/chem.200400907","volume":"11","author":"A Leonov","year":"2005","unstructured":"Leonov A, Voigt B, Rodriguez-Casta\u00f1eda F, Sakhaii P, Griesinger C (2005) Convenient synthesis of multifunctional EDTA-based chiral metal chelates substituted with an S-mesylcysteine. Chem Eur J 11:3342\u20133348","journal-title":"Chem Eur J"},{"key":"160_CR32","doi-asserted-by":"crossref","first-page":"1008","DOI":"10.1016\/j.febslet.2012.12.023","volume":"587","author":"C Li","year":"2012","unstructured":"Li C, Liu M (2012) Protein dynamics in living cells studied by in-cell NMR spectroscopy. FEBS Lett 587:1008\u20131011","journal-title":"FEBS Lett"},{"key":"160_CR33","doi-asserted-by":"crossref","first-page":"2704","DOI":"10.1039\/c2cc17900h","volume":"48","author":"QF Li","year":"2012","unstructured":"Li QF, Yang Y, Maleckis A, Otting G, Su XC (2012) Thiol\u2013ene reaction: a versatile tool in site-specific labelling of proteins with chemically inert tags for paramagnetic NMR. Chem Commun 48:2704\u20132706","journal-title":"Chem Commun"},{"key":"160_CR34","doi-asserted-by":"crossref","first-page":"17306","DOI":"10.1021\/ja307824e","volume":"134","author":"WM Liu","year":"2012","unstructured":"Liu WM, Keizers PHJ, Hass MAS, Blok A, Timmer M, Sarris AJC, Overhand M, Ubbink M (2012) A pH sensitive, colorful, lanthanide-chelating paramagnetic NMR probe. J Am Chem Soc 134:17306\u201317313","journal-title":"J Am Chem Soc"},{"key":"160_CR35","first-page":"2","volume":"273","author":"WM Liu","year":"2014","unstructured":"Liu WM, Overhand M, Ubbink M (2014a) The application of paramagnetic lanthanoid ions in NMR spectroscopy on proteins. Coord Chem Rev 273:2\u201312","journal-title":"Coord Chem Rev"},{"key":"160_CR36","doi-asserted-by":"crossref","first-page":"6256","DOI":"10.1002\/chem.201400257","volume":"20","author":"WM Liu","year":"2014","unstructured":"Liu WM, Skinner SP, Timmer M, Blok A, Hass MAS, Filippov DV, Overhand M, Ubbink M (2014b) A two-armed lanthanoid-chelating paramagnetic NMR probe linked to proteins via thioether linkages. Chem Eur J 20:6256\u20136258","journal-title":"Chem Eur J"},{"key":"160_CR37","doi-asserted-by":"crossref","first-page":"260","DOI":"10.1021\/bc300631z","volume":"24","author":"CT Loh","year":"2013","unstructured":"Loh CT, Ozawa K, Tuck KL, Barlow N, Huber T, Otting G, Graham B (2013) Lanthanide tags for site-specific ligation to an unnatural amino acid and generation of pseudocontact shifts in proteins. Bioconjug Chem 24:260\u2013268","journal-title":"Bioconjug Chem"},{"key":"160_CR38","doi-asserted-by":"crossref","first-page":"5084","DOI":"10.1002\/chem.201406274","volume":"21","author":"CT Loh","year":"2015","unstructured":"Loh CT, Graham B, Abdelkader EH, Tuck KL, Otting G (2015) Generation of pseudocontact shifts in proteins with lanthanides using small \u201cclickable\u201d nitrilotriacetic acid and iminodiacetic acid tags. Chem Eur J 21:5084\u20135092","journal-title":"Chem Eur J"},{"key":"160_CR39","doi-asserted-by":"crossref","first-page":"5684","DOI":"10.1039\/C6CP90029A","volume":"18","author":"C Luchinat","year":"2016","unstructured":"Luchinat C (2016) Exploring the conformational heterogeneity of biomolecules: theory and experiments. Phys Chem Chem Phys 18:5684\u20135685","journal-title":"Phys Chem Chem Phys"},{"key":"160_CR40","doi-asserted-by":"crossref","first-page":"3776","DOI":"10.1074\/jbc.R115.643247","volume":"291","author":"E Luchinat","year":"2016","unstructured":"Luchinat E, Banci L (2016) A unique tool for cellular structural biology: in-cell NMR. J Biol Chem 291:3776\u20133784","journal-title":"J Biol Chem"},{"key":"160_CR41","doi-asserted-by":"crossref","first-page":"108","DOI":"10.1107\/S2052252516020625","volume":"4","author":"E Luchinat","year":"2017","unstructured":"Luchinat E, Banci L (2017) In-cell NMR: a topical review. IUCrJ 4:108\u2013118","journal-title":"IUCrJ"},{"key":"160_CR42","doi-asserted-by":"crossref","first-page":"1808","DOI":"10.1002\/asia.201402095","volume":"9","author":"FH Ma","year":"2014","unstructured":"Ma FH, Chen JL, Li QF, Zuo HH, Huang F, Su XC (2014) Kinetic assay of the michael addition-like thiol\u2013ene reaction and Insight into protein bioconjugation. Chem Asian J 9:1808\u20131816","journal-title":"Chem Asian J"},{"key":"160_CR43","doi-asserted-by":"crossref","first-page":"3752","DOI":"10.1021\/ja4132642","volume":"136","author":"A Maltsev","year":"2014","unstructured":"Maltsev A, Grishaev A, Roche J, Zasloff M, Bax A (2014) Improved cross validation of a static ubiquitin structure derived from high precision residual dipolar couplings measured in a drug based liquid crystalline phase. J Am Chem Soc 136:3752\u20133755","journal-title":"J Am Chem Soc"},{"key":"160_CR44","doi-asserted-by":"crossref","first-page":"71","DOI":"10.1023\/A:1011254402785","volume":"20","author":"J Marley","year":"2001","unstructured":"Marley J, Lu M, Bracken C (2001) A method for efficient isotopic labeling of recombinant proteins. J Biomol NMR 20:71\u201375","journal-title":"J Biomol NMR"},{"key":"160_CR45","doi-asserted-by":"crossref","first-page":"13458","DOI":"10.1021\/ja5079392","volume":"136","author":"A Martorana","year":"2014","unstructured":"Martorana A, Bellapadrona G, Feintuch A, Gregorio ED, Aime S, Goldfarb D (2014) Probing protein conformation in cells by EPR distance measurements using Gd3+ spin labeling. J Am Chem Soc 136:13458\u201313465","journal-title":"J Am Chem Soc"},{"key":"160_CR46","doi-asserted-by":"crossref","first-page":"20812","DOI":"10.1039\/C5DT04123F","volume":"44","author":"A Martorana","year":"2015","unstructured":"Martorana A, Yang Y, Zhao Y, Li QF, Su XC, Goldfarb D (2015) Mn(II) tags for DEER distance measurements in proteins via C\u2013S attachment. Dalton Trans 44:20812\u201320816","journal-title":"Dalton Trans"},{"key":"160_CR47","doi-asserted-by":"crossref","first-page":"823","DOI":"10.1021\/ja035671m","volume":"126","author":"C Miranda","year":"2004","unstructured":"Miranda C, Escart\u00ed F, Lamarque L, Yunta MJ, Navarro P, Garc\u00eda-Espa\u00f1a E, Jimeno ML (2004) New 1 H-pyrazole-containing polyamine receptors able to complex l-glutamate in water at physiological pH values. J Am Chem Soc 126:823\u2013833","journal-title":"J Am Chem Soc"},{"key":"160_CR48","doi-asserted-by":"crossref","first-page":"2821","DOI":"10.1021\/acs.jpclett.6b01074","volume":"7","author":"T M\u00fcntener","year":"2016","unstructured":"M\u00fcntener T, H\u00e4ussinger D, Selenko P, Theillet FX (2016) In-cell protein structures from 2D NMR experiments. J Phys Chem Lett 7:2821\u20132825","journal-title":"J Phys Chem Lett"},{"key":"160_CR49","doi-asserted-by":"crossref","first-page":"20","DOI":"10.1016\/j.pnmrs.2016.11.001","volume":"98","author":"C Nitsche","year":"2017","unstructured":"Nitsche C, Otting G (2017a) Pseudocontact shifts in biomolecular NMR using paramagnetic metal tags. Prog Nucl Magn Reson Spectrosc 98:20\u201349","journal-title":"Prog Nucl Magn Reson Spectrosc"},{"key":"160_CR50","doi-asserted-by":"crossref","first-page":"10894","DOI":"10.1039\/C7CC06155B","volume":"53","author":"C Nitsche","year":"2017","unstructured":"Nitsche C, Mahawaththa MC, Becker W, Huber T, Otting G (2017b) Site-selective tagging of proteins by pnictogen-mediated self-assembly. Chem Commun 53:10894\u201310897","journal-title":"Chem Commun"},{"key":"160_CR51","doi-asserted-by":"crossref","first-page":"534","DOI":"10.1021\/jo01133a010","volume":"18","author":"E Ochiai","year":"1953","unstructured":"Ochiai E (1953) Recent Japanese work on the chemistry of pyridine 1-oxide and related compounds. J Org Chem 18:534\u2013551","journal-title":"J Org Chem"},{"key":"160_CR52","doi-asserted-by":"crossref","first-page":"373","DOI":"10.1006\/jmre.1998.1361","volume":"131","author":"M Ottiger","year":"1998","unstructured":"Ottiger M, Delaglio F, Bax A (1998) Measurement of J and dipolar couplings from simplified two-dimensional NMR spectra. J Magn Reson 131:373\u2013378","journal-title":"J Magn Reson"},{"key":"160_CR53","doi-asserted-by":"crossref","first-page":"387","DOI":"10.1146\/annurev.biophys.093008.131321","volume":"39","author":"G Otting","year":"2010","unstructured":"Otting G (2010) Protein NMR using paramagnetic ions. Annu Rev Biophys 39:387\u2013405","journal-title":"Annu Rev Biophys"},{"key":"160_CR54","doi-asserted-by":"crossref","first-page":"10237","DOI":"10.1039\/C6CC05490K","volume":"52","author":"BB Pan","year":"2016","unstructured":"Pan BB, Yang F, Ye Y, Wu Q, Li C, Huber T, Su XC (2016) 3D structure determination of a protein in living cells using paramagnetic NMR spectroscopy. Chem Commun 52:10237\u201310240","journal-title":"Chem Commun"},{"key":"160_CR55","doi-asserted-by":"crossref","first-page":"6591","DOI":"10.1039\/b817343e","volume":"28","author":"L Pellegatti","year":"2008","unstructured":"Pellegatti L, Zhang J, Drahos B, Villette S, Suzenet F, Guillaumet G, Petoud S, T\u00f3th \u00c9 (2008) Pyridine-based lanthanide complexes: towards bimodal agents operating as near infrared luminescent and MRI reporters. Chem Commun 28:6591\u20136593","journal-title":"Chem Commun"},{"key":"160_CR56","doi-asserted-by":"crossref","first-page":"367","DOI":"10.1016\/j.sbi.2010.03.007","volume":"20","author":"T Perica","year":"2010","unstructured":"Perica T, Chothia C (2010) Ubiquitin\u2014molecular mechanisms for recognition of different structures. Curr Opin Struct Biol 20:367\u2013376","journal-title":"Curr Opin Struct Biol"},{"key":"160_CR57","doi-asserted-by":"crossref","first-page":"329","DOI":"10.1007\/s10858-011-9560-y","volume":"51","author":"F Peters","year":"2011","unstructured":"Peters F, Maestre-Martinez M, Leonov A, Kova\u010di\u010d L, Becker S, Boelens R, Griesinger C (2011) Cys-Ph-TAHA: a lanthanide binding tag for RDC and PCS enhanced protein NMR. J Biomol NMR 51:329\u2013337","journal-title":"J Biomol NMR"},{"key":"160_CR58","volume-title":"IUPAC stability constants database, version 4.11","author":"LD Pettit","year":"1999","unstructured":"Pettit LD, Powell KJ (1999) IUPAC stability constants database, version 4.11. Academic Software, Yorks"},{"key":"160_CR59","doi-asserted-by":"crossref","first-page":"3696","DOI":"10.1021\/ja057008z","volume":"128","author":"G Pintacuda","year":"2006","unstructured":"Pintacuda G, Park AY, Keniry MA, Dixon NE, Otting G (2006) Lanthanide labeling offers fast NMR approach to 3D structure determinations of protein-protein complexes. J Am Chem Soc 128:3696\u20133702","journal-title":"J Am Chem Soc"},{"key":"160_CR60","doi-asserted-by":"crossref","first-page":"206","DOI":"10.1021\/ar050087z","volume":"40","author":"G Pintacuda","year":"2007","unstructured":"Pintacuda G, John M, Su XC, Otting G (2007) NMR structure determination of protein-ligand complexes by lanthanide labeling. Acc Chem Res 40:206\u2013212","journal-title":"Acc Chem Res"},{"key":"160_CR61","doi-asserted-by":"crossref","first-page":"110","DOI":"10.1016\/j.sbi.2017.06.007","volume":"46","author":"JM Plitzko","year":"2017","unstructured":"Plitzko JM, Schuler B, Selenko P (2017) Structural biology outside the box-inside the cell. Curr Opin Struct Biol 46:110\u2013121","journal-title":"Curr Opin Struct Biol"},{"key":"160_CR62","doi-asserted-by":"crossref","first-page":"3252","DOI":"10.1002\/chem.200306019","volume":"10","author":"M Prud\u00eancio","year":"2004","unstructured":"Prud\u00eancio M, Rohovec J, Peters JA, Tocheva E, Boulanger MJ, Murphy ME, Hupkes HJ, Kosters W, Impagliazzo A, Ubbink M (2004) A caged lanthanide complex as a paramagnetic shift agent for protein NMR. Chem Eur J 10:3252\u20133260","journal-title":"Chem Eur J"},{"key":"160_CR63","doi-asserted-by":"crossref","first-page":"17111","DOI":"10.1021\/ja408143f","volume":"135","author":"L Russo","year":"2013","unstructured":"Russo L, Maestre-Martinez M, Wolff S, Becker S, Griesinger C (2013) Interdomain dynamics explored by paramagnetic NMR. J Am Chem Soc 135:17111\u201317120","journal-title":"J Am Chem Soc"},{"key":"160_CR64","doi-asserted-by":"crossref","first-page":"395","DOI":"10.1007\/s10858-011-9566-5","volume":"51","author":"T Saio","year":"2011","unstructured":"Saio T, Ogura K, Shimizu K, Yokochi M, Jr Burke TR, Inagaki F (2011) An NMR strategy for fragment-based ligand screening utilizing a paramagnetic lanthanide probe. J Biomol NMR 51:395\u2013408","journal-title":"J Biomol NMR"},{"key":"160_CR65","doi-asserted-by":"crossref","first-page":"16685","DOI":"10.1038\/srep16685","volume":"5","author":"T Saio","year":"2015","unstructured":"Saio T, Ogura K, Kumeta H, Kobashigawa Y, Shimizu K, Yokochi M, Kodama K, Yamaguchi H, Tsujishita H, Inagaki F (2015) Ligand-driven conformational changes of MurD visualized by paramagnetic NMR. Sci Rep 5:16685","journal-title":"Sci Rep"},{"key":"160_CR66","doi-asserted-by":"crossref","first-page":"187","DOI":"10.1007\/s12551-013-0104-4","volume":"5","author":"M Sarkar","year":"2013","unstructured":"Sarkar M, Li C, Pielark GJ (2013) Soft interactions and crowding. Biophys Rev 5:187\u2013194","journal-title":"Biophys Rev"},{"key":"160_CR67","doi-asserted-by":"crossref","first-page":"179","DOI":"10.1007\/s10858-008-9249-z","volume":"41","author":"C Schmitz","year":"2008","unstructured":"Schmitz C, Stanton-Cook MJ, Su XC, Otting G, Huber T (2008) Numbat: an interactive software tool for fitting \u2206\u03c7-tensors to molecular coordinates using pseudocontact shifts. J Biolmol NMR 41:179\u2013189","journal-title":"J Biolmol NMR"},{"key":"160_CR68","doi-asserted-by":"crossref","first-page":"7","DOI":"10.1016\/j.sbi.2014.10.004","volume":"30","author":"AE Smith","year":"2015","unstructured":"Smith AE, Zhang Z, Pielak GJ, Li C (2015) NMR studies of protein folding and binding in cells and cell-like environments. Curr Opin Struc Biol 30:7\u201316","journal-title":"Curr Opin Struc Biol"},{"key":"160_CR69","doi-asserted-by":"crossref","first-page":"101","DOI":"10.1007\/s10858-009-9331-1","volume":"46","author":"XC Su","year":"2010","unstructured":"Su XC, Otting G (2010) Paramagnetic labelling of proteins and oligonucleotides for NMR. J Biomol NMR 46:101\u2013112","journal-title":"J Biomol NMR"},{"key":"160_CR70","doi-asserted-by":"crossref","first-page":"383","DOI":"10.1038\/nature05201","volume":"444","author":"C Tang","year":"2006","unstructured":"Tang C, Iwahara J, Clore GM (2006) Visualization of transient encounter complexes in protein\u2013protein association. Nature 444:383\u2013386","journal-title":"Nature"},{"key":"160_CR71","doi-asserted-by":"crossref","first-page":"1078","DOI":"10.1038\/nature06232","volume":"449","author":"C Tang","year":"2007","unstructured":"Tang C, Schwieters CD, Clore GM (2007) Open-to-closed transition in apo maltose-binding protein observed by paramagnetic NMR. Nature 449:1078\u20131082","journal-title":"Nature"},{"key":"160_CR72","first-page":"241","volume":"19","author":"J Wang","year":"2000","unstructured":"Wang J, Zhao J, Zhang X, Gao J (2000) Synthesis and structural determination of nine-coordinate K2 [Y(dtpa)(H2O)]\u2020\u00a77H2O. Rare Met 19:241\u2013247","journal-title":"Rare Met"},{"key":"160_CR73","doi-asserted-by":"crossref","first-page":"1097","DOI":"10.1002\/chem.201202495","volume":"19","author":"Y Yang","year":"2013","unstructured":"Yang Y, Li QF, Cao C, Huang F, Su XC (2013) Site-specific labeling of proteins with a chemically stable, high-affinity tag for protein study. Chem Eur J 19:1097\u20131103","journal-title":"Chem Eur J"},{"key":"160_CR74","doi-asserted-by":"crossref","first-page":"2824","DOI":"10.1039\/C4CC08493D","volume":"51","author":"Y Yang","year":"2015","unstructured":"Yang Y, Wang JT, Pei YY, Su XC (2015) Site-specific tagging proteins via a rigid, stable and short thiolether tether for paramagnetic spectroscopic analysis. Chem Commun 51:2824\u20132827","journal-title":"Chem Commun"},{"key":"160_CR75","doi-asserted-by":"crossref","first-page":"11535","DOI":"10.1039\/C6CC06114A","volume":"52","author":"F Yang","year":"2016","unstructured":"Yang F, Wang X, Pan BB, Su XC (2016) Single-armed phenylsulfonated pyridine derivative of DOTA is rigid and stable paramagnetic tag in protein analysis. Chem Commun 52:11535\u201311538","journal-title":"Chem Commun"},{"key":"160_CR76","doi-asserted-by":"crossref","first-page":"2914","DOI":"10.1002\/anie.201611051","volume":"56","author":"Y Yang","year":"2017","unstructured":"Yang Y, Yang F, Gong YJ, Chen JL, Goldfarb D, Su XC (2017) A reactive, rigid Gd(III) labeling tag for in-cell EPR distance measurements in proteins. Angew Chem Int Ed 56:2914\u20132918","journal-title":"Angew Chem Int Ed"},{"key":"160_CR77","doi-asserted-by":"crossref","first-page":"5328","DOI":"10.1002\/anie.201500261","volume":"54","author":"Y Ye","year":"2015","unstructured":"Ye Y, Liu X, Xu G, Liu M, Li C (2015) Direct observation of Ca2+-induced calmodulin conformational transitions in Intact Xenopus laevis oocytes by 19F NMR spectroscopy. Angew Chem Int Ed 54:5328\u20135330","journal-title":"Angew Chem Int Ed"},{"key":"160_CR78","first-page":"2750","volume":"18","author":"Y Yuan","year":"2011","unstructured":"Yuan Y, Guo S (2011) A mild and efficient synthesis of aryl sulfones from aryl chlorides and sulfinic acid salts using microwave heating. Synlett 18:2750\u20132756","journal-title":"Synlett"},{"key":"160_CR79","doi-asserted-by":"crossref","first-page":"31383","DOI":"10.1074\/jbc.M401374200","volume":"279","author":"Y Zong","year":"2004","unstructured":"Zong Y, Bice TW, Ton-That H, Schneewind O, Narayana SV (2004) Crystal structures of Staphylococcus aureus sortase A and its substrate complex. J Biol Chem 279:31383\u201331389","journal-title":"J Biol Chem"}],"container-title":["Journal of Biomolecular NMR"],"original-title":[],"language":"en","link":[{"URL":"http:\/\/link.springer.com\/article\/10.1007\/s10858-017-0160-3\/fulltext.html","content-type":"text\/html","content-version":"vor","intended-application":"text-mining"},{"URL":"http:\/\/link.springer.com\/content\/pdf\/10.1007\/s10858-017-0160-3.pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"text-mining"},{"URL":"http:\/\/link.springer.com\/content\/pdf\/10.1007\/s10858-017-0160-3.pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2018,2,26]],"date-time":"2018-02-26T13:11:14Z","timestamp":1519650674000},"score":1,"resource":{"primary":{"URL":"http:\/\/link.springer.com\/10.1007\/s10858-017-0160-3"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2017,12,9]]},"references-count":79,"journal-issue":{"issue":"2","published-print":{"date-parts":[[2018,2]]}},"alternative-id":["160"],"URL":"https:\/\/doi.org\/10.1007\/s10858-017-0160-3","relation":{},"ISSN":["0925-2738","1573-5001"],"issn-type":[{"value":"0925-2738","type":"print"},{"value":"1573-5001","type":"electronic"}],"subject":[],"published":{"date-parts":[[2017,12,9]]}}}