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Entry ID	Original Release date	Data summary	Entry Title	Citation Title	Authors
31197	2025-03-26	Chemical Shifts: 1 set	Incorporation of dehydro-aza-proline residues in avian pancreatic polypeptide: Aza-Pro substitution at positions 4 and 6	Stabilization of a miniprotein fold by an unpuckered proline surrogate	Benjamin H Rajewski, Juan R Del Valle, Lorna J Smith, Madison M Wright, Taylor A Gerrein, W Seth Horne, Zhiyi Xu
31195	2025-03-26	Chemical Shifts: 1 set	Incorporation of dehydro-aza-proline residues in avian pancreatic polypeptide: Aza-Pro substitution at position 4	Stabilization of a miniprotein fold by an unpuckered proline surrogate	Benjamin H Rajewski, Juan R Del Valle, Lorna J Smith, Madison M Wright, Taylor A Gerrein, W Seth Horne, Zhiyi Xu
31194	2025-03-26	Chemical Shifts: 1 set	Incorporation of dehydro-aza-proline residues in avian pancreatic polypeptide: Wild-type sequence	Stabilization of a miniprotein fold by an unpuckered proline surrogate	Benjamin H Rajewski, Juan R Del Valle, Lorna J Smith, Madison M Wright, Taylor A Gerrein, W Seth Horne, Zhiyi Xu
31196	2025-03-26	Chemical Shifts: 1 set	Incorporation of dehydro-aza-proline residues in avian pancreatic polypeptide: Aza-Pro substitution at position 6	Stabilization of a miniprotein fold by an unpuckered proline surrogate	Benjamin H Rajewski, Juan R Del Valle, Lorna J Smith, Madison M Wright, Taylor A Gerrein, W Seth Horne, Zhiyi Xu
34942	2024-09-12	Chemical Shifts: 1 set	Solution structure of a silver ion mediated DNA duplex with universal 7-deazapurine substitutions	UNVEILING THE SOLUTION STRUCTURE OF A DNA WITH CONTINUOUS SILVER-MODIFIED WATSON-CRICK BASE PAIRS	A Perez-Romero, C Lopez-Chamorro, J A Dobado, J Plavec, M A Galindo, M K Bera, M Nyman, O Palacios, R M Smith, U Javornik
52543	2024-10-07	Chemical Shifts: 1 set	Structure and functional studies of Avt1, a novel peptide from the sea anemone Aulactinia veratra	Structure and functional studies of Avt1, a novel peptide from the sea anemone Aulactinia veratra	Dorothy Wai, Gyorgy Panyi, Hayden L Smith, Karoline Sanches, Muhammad Umair Naseem, Peter J Prentis, Raymond S Norton, Renad Albar, Tibor G Szanto
52152	2023-10-18	Chemical Shifts: 1 set	Endo-b-1,4-xylanase (Xylanase A) WT peak assignments from Bacillus subtilis	Effects of Xylanase A double mutation on substrate specificity and structural dynamics	Bakar A Hassan, Colin A Smith, Dmitry M Korzhnev, James M Aramini, Joshua A Dudley, Kylie J Walters, Meagan E MacDonald, Nicholas Wells
52153	2023-10-18	Chemical Shifts: 1 set	Endo-b-1,4-xylanase (Xylanase A) D11F/R122D mutant from Bacillus subtilis	Effects of Xylanase A double mutation on substrate specificity and structural dynamics	Bakar A Hassan, Colin A Smith, Dmitry M Korzhnev, James M Aramini, Joshua A Dudley, Kylie J Walters, Meagan E MacDonald, Nicholas Wells
52154	2023-10-18	Heteronuclear NOE Values: 1 set T1 Relaxation Values: 1 set T1rho Relaxation Values: 1 set Order Parameters: 1 set T2 Relaxation Values: 1 set	Endo-b-1,4-xylanase (Xylanase A) WT from Bacillus subtilis Lipari-Szabo order parameters and relaxation data	Effects of Xylanase A double mutation on substrate specificity and structural dynamics	Bakar A Hassan, Colin A Smith, Dmitry M Korzhnev, James M Aramini, Joshua A Dudley, Kylie J Walters, Meagan E MacDonald, Nicholas Wells
52155	2023-10-18	Heteronuclear NOE Values: 1 set T1 Relaxation Values: 1 set T1rho Relaxation Values: 1 set Order Parameters: 1 set T2 Relaxation Values: 1 set	Endo-b-1,4-xylanase (Xylanase A) D11F/R122D double mutant from Bacillus subtilis Lipari-Szabo order parameters and relaxation data	Effects of Xylanase A double mutation on substrate specificity and structural dynamics	Bakar A Hassan, Colin A Smith, Dmitry M Korzhnev, James M Aramini, Joshua A Dudley, Kylie J Walters, Meagan E MacDonald, Nicholas Wells
34749	2024-01-11	Chemical Shifts: 1 set Spectral_peak_list: 1 set	Domain 2 of zinc-loaded Caenorhabditis elegans MTL-1	Metallothionein-mediated metal trafficking in the nematode C. elegans: dissection of structural and functional differentiation	A Blease, A Harrison-Smith, C A Blindauer, N Almutairi, O I Leszczyszyn, S M Webb, S R Sturzenbaum, S Zeitoun-Ghandour, Y J Essig
51546	2024-01-11	Chemical Shifts: 1 set	Cadmium-loaded form of C. elegans MTL2	Metallothionein-mediated metal trafficking in the nematode C. elegans: dissection of structural and functional differentiation	Alexandra Harrison-Smith, Alix Blease, Claudia A Blindauer, Nora Almutairi, Oksana I Leszczyszyn, Sam M Webb, Stephen R Sturzenbaum, Sukaina Zeitoun-Ghandour, Yona J Essig
51472	2022-10-19	Chemical Shifts: 1 set	Backbone amide chemical shifts for PBRM1-BD2	Selective and Cell-Active PBRM1 Bromodomain Inhibitors Discovered through NMR Fragment Screening	Brayden P Strohmier, Brian C Smith, Brian F Volkman, Christopher J Goetz, Davin R Jensen, Emily C Dykhuizen, Francis C Peterson, Karina L Bursch, Mallory K Roach, Maya E Blau, Michael D Olp, Raymundo Nunez, Sandra C Ordonez-Rubiano, Shifali Shishodia, Tyler G Fenske
51450	2022-10-19	Chemical Shifts: 1 set	Backbone amide chemical shifts for PBRM1-BD2 bound to 5-Chloro-2-(3-methylphenyl)-2,3-dihydroquinazolin-4(1H)-one	Selective and Cell-Active PBRM1 Bromodomain Inhibitors Discovered through NMR Fragment Screening	Brayden P Strohmier, Brian C Smith, Brian F Volkman, Christopher J Goetz, Davin R Jensen, Emily C Dykhuizen, Francis C Peterson, Karina L Bursch, Mallory K Roach, Maya E Blau, Michael D Olp, Raymundo Nunez, Sandra C Ordonez-Rubiano, Shifali Shishodia, Tyler G Fenske
30995	2022-07-05	Chemical Shifts: 1 set	Solution NMR structure of Vibrio cholerae ferrous iron transport protein C (FeoC)	The structure of Vibrio cholerae FeoC reveals conservation of the helix-turn-helix motif but not the cluster-binding domain	A T Smith, J B Brown, M A Lee
30972	2022-09-08	Chemical Shifts: 1 set	Solution structure of 7SK stem-loop 1 with HIV-1 Tat Subtype G Arginine Rich Motif	A structure-based mechanism for displacement of the HEXIM adapter from 7SK small nuclear RNA	J L Meagher, J L Smith, M Gao, V M D'Souza, V V Pham
30973	2022-09-08	Chemical Shifts: 1 set	Solution structure of 7SK stem-loop 1 with HIV-1 Tat Finland Arginine Rich Motif	A structure-based mechanism for displacement of the HEXIM adapter from 7SK small nuclear RNA	J L Meagher, J L Smith, M Gao, V M D'Souza, V V Pham
30971	2022-09-08	Chemical Shifts: 1 set	Solution structure of 7SK stem-loop 1 with HEXIM Arginine Rich Motif	A structure-based mechanism for displacement of the HEXIM adapter from 7SK small nuclear RNA	J L Meagher, J L Smith, M Gao, V M D'Souza, V V Pham
30944	2022-08-26	Chemical Shifts: 1 set Spectral_peak_list: 3 sets	The solution structure of remipede double-ICK toxin phi-Xibalbin3-Xt3a	A bivalent remipede toxin promotes calcium release via ryanodine receptor activation	Angela Dulhunty, Bradley S Launikonis, Cedric Lamboley, Chris Thekkedam, Derek R Laver, Eivind Undheim, Irina Vetter, Jennifer J Smith, Junyu Liu, Mehdi Mobli, Michael J Maxwell, Theo Crawford, Xinying Jia, Yanni K-Y K Chin
50576	2021-01-25	Chemical Shifts: 1 set	NfsB + nicotinate	Backbone assignment of E. coli NfsB and the effects of addition of the cofactor analogue nicotinic acid	Alex KW Chau, Eva I Hyde, Lorna J Smith
50476	2021-01-25	Chemical Shifts: 1 set	NfsB chemical shifts	Backbone assignment of E. coli NfsB and the effects of addition of the cofactor analogue nicotinic acid	Alex KW Chau, Eva I Hyde, Lorna J Smith
50399	2021-06-30	Chemical Shifts: 1 set	1H, 13C, 15N chemical shifts for the PmScsC linker peptide in water	The 'Shape-Shifter' Peptide from the Disulphide Isomerase PmScsC Shows Context-Dependent Conformational Preferences.	Chloe W Green, Christina Redfield, Lorna J Smith
50400	2021-06-30	Chemical Shifts: 1 set	1H, 13C, 15N chemical shifts for PmScsC linker peptide in 50% TFE	The 'Shape-Shifter' Peptide from the Disulphide Isomerase PmScsC Shows Context-Dependent Conformational Preferences.	Chloe W Green, Christina Redfield, Lorna J Smith
28033	2020-03-05	Chemical Shifts: 1 set	Backbone assignments for the Asciz QT2-4/LC8 complex	The dynein light chain 8 (LC8) binds predominantly "in-register" to a multivalent intrinsically disordered partner	Amber D Rolland, Delaney A Smith, Elisar J Barbar, Hanh Hoang, James S Prell, Kayla A Jara, Patrick N Reardon
30572	2019-05-28	Chemical Shifts: 1 set	Dimer-of-dimer amyloid fibril structure of glucagon	The peptide hormone glucagon forms amyloid fibrils with two coexisting beta-strand conformations	A J Dregni, D J Pochan, K J Smith, M D Gelenter, M Hong, M S Lamm, S Y Liao, T J Tucker, V S Mandala, X Wei, Y Su, Y Tian
30517	2020-02-28	Chemical Shifts: 1 set	Solution NMR structure of the KCNQ1 voltage-sensing domain	Structure and physiological function of the human KCNQ1 channel voltage sensor intermediate state	A L George, C R Sanders, D Peng, G Kuenze, H Huang, J A Smith, J Cui, J Meiler, J Shi, K C Taylor, K M White, N Yang, P Hou, P W Kang, R L McFeeters
30510	2018-10-24	Chemical Shifts: 1 set	Solution structure of HIV-1 TAR with Tat RNA Binding Domain	HIV-1 Tat interactions with cellular 7SK and viral TAR RNAs identifies dual structural mimicry	C Salguero, H de Rocquigny, J Meagher, J Smith, N Humbert, S N Khan, V M D'Souza, V V Pham, W Brown
30512	2018-10-24	Chemical Shifts: 1 set	Solution structure of 7SK stem-loop 1	HIV-1 Tat interactions with cellular 7SK and viral TAR RNAs identifies dual structural mimicry	C Salguero, H de Rocquigny, J Meagher, J Smith, N Humbert, S N Khan, V M D'Souza, V V Pham, W Brown
30511	2018-10-24	Chemical Shifts: 1 set	Solution structure of 7SK stem-loop 1 with HIV-1 Tat RNA Binding Domain	HIV-1 Tat interactions with cellular 7SK and viral TAR RNAs identifies dual structural mimicry	C Salguero, H de Rocquigny, J Meagher, J Smith, N Humbert, S N Khan, V M D'Souza, V V Pham, W Brown
27439	2018-10-04	Chemical Shifts: 1 set	Sph15	1H, 13C and 15N NMR assignments of self-incompatibility protein homologue 15 from Arabidopsis thaliana	Eva I Hyde, Karthik V Rajasekar, Lorna J Smith, Rachel J Coulthard
30342	2018-09-06	Chemical Shifts: 1 set Spectral_peak_list: 1 set	NMR structure of sea anemone toxin Kappa-actitoxin-Ate1a	PHAB toxins: a unique family of predatory sea anemone toxins evolving via intra-gene concerted evolution defines a new peptide fold	Ben Cristofori-Armstrong, Berin A Boughton, Brett R Hamilton, Bruno Madio, Eivind Undheim, Glenn F King, Jan Tytgat, Jennifer J Smith, Paul F Alewood, Sonia Troeira T Henriques, Steve Peigneur, Yanni Chin, Zoltan Dekan
30314	2017-11-08	Chemical Shifts: 1 set	Solution Structure and Dynamics of an Ultra-Stable Single-Chain Insulin Analog STUDIES OF AN ENGINEERED MONOMER AND IMPLICATIONS FOR RECEPTOR BINDING	Solution structure of an ultra-stable single-chain insulin analog connects protein dynamics to a novel mechanism of receptor binding	Brian J Smith, Faramarz Ismail-Beigi, Kelley Carr, Michael A Weiss, Michael C Lawrence, Michael D Glidden, Nalinda P Wickramasinghe, Nelson B Phillips, Nicholas A Smith, Yanwu Yang
34153	2017-12-26	Chemical Shifts: 1 set	M. tuberculosis [4Fe-4S] protein WhiB1 is a four-helix bundle that forms a NO-sensitive complex with sigmaA and regulates the major virulence factor ESX-1	Structure of a Wbl protein and implications for NO sensing by M. tuberculosis	A M Hounslow, B K Kudhair, D M Hunt, J C Crack, J Green, L J Smith, M D Rolfe, M P Williamson, N E Le Brun, R S Buxton
27013	2017-06-30	Chemical Shifts: 1 set	Chemical shift assignments (HN,N,CA,CB) of reduced n-NmDsbD	H(N), N, C(alpha) and C(beta) assignments of the two periplasmic domains of Neisseria meningitidis DsbD	Begona Heras, Biswaranjan Mohanty, Martin J Scanlon, Martin L Williams, Roxanne P Smith
27012	2017-06-30	Chemical Shifts: 1 set	Chemical shift assignments (HN,N,CA,CB) of oxidised n-NmDsbD	H(N), N, C(alpha) and C(beta) assignments of the two periplasmic domains of Neisseria meningitidis DsbD	Begona Heras, Biswaranjan Mohanty, Martin J Scanlon, Martin L Williams, Roxanne P Smith
27014	2017-06-30	Chemical Shifts: 1 set	Chemical shift assignments (HN,N,CA,CB) of oxidised c-NmDsbD	H(N), N, C(alpha) and C(beta) assignments of the two periplasmic domains of Neisseria meningitidis DsbD	Begona Heras, Biswaranjan Mohanty, Martin J Scanlon, Martin L Williams, Roxanne P Smith
27015	2017-06-30	Chemical Shifts: 1 set	Chemical shift assignments (HN,N,CA,CB) of reduced c-NmDsbD	H(N), N, C(alpha) and C(beta) assignments of the two periplasmic domains of Neisseria meningitidis DsbD	Begona Heras, Biswaranjan Mohanty, Martin J Scanlon, Martin L Williams, Roxanne P Smith
26812	2016-06-16	Chemical Shifts: 1 set	13C Chemical Shifts rhodopsion	Retinal orientation and interactions in rhodopsin reveal a two-stage trigger mechanism for activation	Amiram Hirschfeld, Andreyah Pope, Chikwado A Opefi, Ekaterina Zaitseva, Markus Eilers, Martine Ziliox, Mordechai Sheves, Naoki Kimata, Reiner J Vogel, Reiner Vogel, Steven O Smith
26813	2016-06-16	Chemical Shifts: 1 set	13C Chemical Shifts - Metarhodopsin II	Retinal orientation and interactions in rhodopsin reveal a two-stage trigger mechanism for activation	Amiram Hirschfeld, Andreyah Pope, Chikwado A Opefi, Ekaterina Zaitseva, Markus Eilers, Martine Ziliox, Mordechai Sheves, Naoki Kimata, Philip J Reeves, Reiner Vogel, Steven O Smith
26811	2016-06-16	Chemical Shifts: 3 sets	13C Chemical shifts of free backbone carbonyls in bovine rhodopsin and Meta II	Retinal orientation and interactions in rhodopsin reveal a two-stage trigger mechanism for activation	Amiram Hirschfeld, Andreyah Pope, Chikwado A Opefi, Ekaterina Zaitseva, Markus Eilers, Martine Ziliox, Mordechai Sheves, Naoki Kimata, Reiner J Vogel, Reiner Vogel, Steven O Smith
26787	2016-09-02	Chemical Shifts: 1 set	Backbone 1H, 13C, and 15N Chemical Shift Assignments for human RIT1	Biochemical Classification of Disease-associated Mutants of RAS-like Protein Expressed in Many Tissues (RIT1)	Benjamin G Neel, Christopher B Marshall, Genevieve MC Gasmi-Seabrook, Jiani C Yin, Matthew J Smith, Mitsuhiko Ikura, Mohammad T Mazhab-Jafari, Yang Xu, Zhenhao Fang
26604	2015-09-30	Chemical Shifts: 1 set	Protein resonance assignment at MAS frequencies approaching 100 kHz: a quantitative comparison of J-coupling and dipolar-coupling-based transfer methods	Protein resonance assignment at MAS frequencies approaching 100 kHz: a quantitative comparison of J-coupling and dipolar-coupling-based transfer methods	Ago Samoson, Albert A Smith, Andreas Hunkeler, Anja Bockmann, Beat H Meier, Matthias Ernst, Susanne Penzel, Vipin Agarwal
25115	2015-05-27	Chemical Shifts: 1 set	NMR data-driven model of GTPase KRas-GNP tethered to a lipid-bilayer nanodisc	Oncogenic and RASopathy-associated K-RAS mutations relieve membrane-dependent occlusion of the effector-binding site	Benjamin G Neel, Christopher B Marshall, Fuyuhiko Inagaki, Genevieve M C Gasmi-Seabrook, Lewis E Kay, Matthew J Smith, Mitsuhiko Ikura, Mohammad T Mazhab-Jafari, Peter B Stathopoulos
25116	2015-05-27	Chemical Shifts: 1 set	NMR data-driven model of GTPase KRas-GNP:ARafRBD complex tethered to a lipid-bilayer nanodisc	Oncogenic and RASopathy-associated K-RAS mutations relieve membrane-dependent occlusion of the effector-binding site	Benjamin G Neel, Christopher B Marshall, Fuyuhiko Inagaki, Genevieve M C Gasmi-Seabrook, Lewis E Kay, Matthew J Smith, Mitsuhiko Ikura, Mohammad T Mazhab-Jafari, Peter B Stathopoulos
25114	2015-05-27	Chemical Shifts: 1 set	NMR data-driven model of GTPase KRas-GDP tethered to a lipid-bilayer nanodisc	Oncogenic and RASopathy-associated K-RAS mutations relieve membrane-dependent occlusion of the effector-binding site	Benjamin G Neel, Christopher B Marshall, Fuyuhiko Inagaki, Genevieve M C Gasmi-Seabrook, Lewis E Kay, Matthew J Smith, Mitsuhiko Ikura, Mohammad T Mazhab-Jafari, Peter B Stathopoulos
19979	2014-12-22	Chemical Shifts: 1 set	Solution structure of B24G insulin	Protective hinge in insulin opens to enable its receptor engagement	Brian J Smith, Charles T Roberts, Colin W Ward, Donald F Steiner, Faramarz Ismail-Beigi, John G Menting, Jonathan Whittaker, Julie M Carroll, Linda J Whittaker, Michael A Weiss, Michael C Lawrence, Nalinda P Wickramasinghe, Natalie Strokes, Nelson B Phillips, Satya P Yadav, Shu Jin Chan, Vijay Pandyarajan, Virander S Chauhan, Wieslawa Milewski, Yanwu Yang, Zhu-li Wan
19926	2019-07-12	Chemical Shifts: 1 set	Backbone resonance assignments of the R42W mutant of pyrin domain of human Pyrin	Identification of multifaceted binding modes for pyrin and ASC pyrin domains gives insights into pyrin inflammasome assembly	Justine M Hill, Katryn J Stacey, Parimala R Vajjhala, Qi-Rui Ong, Sarah J Smith, Sebastian Kaiser, Stephanie L Soh
19875	2014-07-14	Chemical Shifts: 1 set	Backbone resonance assignments of the pyrin domain of human Pyrin	Identification of multifaceted binding modes for pyrin and ASC pyrin domains gives insights into pyrin inflammasome assembly	Justine M Hill, Katryn J Stacey, Parimala R Vajjhala, Qi-Rui Ong, Sarah J Smith, Sebastian Kaiser, Stephanie L Soh
19822	2014-08-25	Chemical Shifts: 1 set	NMR structure of B25-(alpha, beta)-dehydro-phenylalanine insulin	Protective hinge in insulin opens to enable its receptor engagement	Brian J Smith, Charles T Roberts, Colin W Ward, Donald F Steiner, Faramarz Ismail-Beigi, John G Menting, Jonathan Whittaker, Julie M Carroll, Linda J Whittaker, Michael A Weiss, Michael C Lawrence, Nalinda P Wickramasinghe, Natalie Strokes, Nelson B Phillips, Satya P Yadav, ShuJin Chan, Vijay Pandyarajan, Virander S Chauhan, Wieslawa Milewski, Yanwu Yang, Zhu-li Wan
11543	2014-10-20	Chemical Shifts: 1 set	NMR solution structure of [G5,T7,S9]-oxytocin	Oxytocic plant cyclotides as templates for peptide G protein-coupled receptor ligand design	Alysha G Elliott, Christian W Gruber, David J Craik, Johannes Koehbach, Margaret O'Brien, Marion Miazzo, Markus Muttenthaler, Michael Freissmuth, Muharrem Akcan, Norelle L Daly, Peta J Harvey, Philip E Dawson, Sarah Arrowsmith, Sunithi Gunasekera, Susan Wray, Terry J Smith, Ulf Goransson
19595	2014-02-11	Chemical Shifts: 1 set	NMR solution structure of oxytocin	Oxytocic plant cyclotides as templates for peptide G protein-coupled receptor ligand design.	Alysha G Daly, David J Freissmuth, Johannes Koehbach, Margaret Muttenthaler, Marion Akcan, Markus Miazzo, Michael Gruber, Muharrem Elliott, Norelle L Harvey, Peta J Arrowsmith, Philip E Craik, Sarah Gunasekera, Sunithi Smith, Susan Goransson, Terry J Wray, Ulf Dawson
19446	2013-09-19	Chemical Shifts: 1 set	Single-stranded DNA binding protein from E. coli (SSB)	Bound or Free: Interaction of the C-Terminal Domain of Escherichia coli Single-Stranded DNA-Binding Protein (SSB) with the Tetrameric Core of SSB.	Claire E Mason, Dmitry Shishmarev, Gottfried Otting, Hiromasa Yagi, Marylene Vandevenne, Nicholas E Dixon, Paul J Smith, Xun-Cheng Su, Yao Wang
19127	2013-08-15	Coupling Constants: 1 set Heteronuclear NOE Values: 2 sets T1 Relaxation Values: 2 sets T2 Relaxation Values: 2 sets Residual Dipolar Couplings: 1 set	The Dynamics of Lysozyme from Bacteriophage Lambda in Solution probed by NMR and MD simulations	The dynamics of lysozyme from bacteriophage lambda in solution probed by NMR and MD simulations.	Alexandre Di Paolo, Alice M Bowen, Andre Matagne, Christina Redfield, Lorna J Smith
19067	2013-06-24	Chemical Shifts: 1 set	Solution structure of latherin	The structure of latherin, a surfactant allergen protein from horse sweat and saliva	A Cooper, Brian O Smith, M W Kennedy, R E Macdonald, S J Vance
18676	2012-09-17	Chemical Shifts: 1 set	Regulation of a potassium channel by the pro-domain of a matrix metalloprotease	Intracellular trafficking of the KV1.3 potassium channel is regulated by the prodomain of a matrix metalloprotease.	Brian J Smith, Charles A Galea, Galina Schmunk, Hai M Nguyen, K George Chandy, Raymond S Norton, Robert A Edwards
18443	2012-06-05	Chemical Shifts: 1 set	Solution structure of a thioredoxin from Thermus thermophilus	Solution structure of a thioredoxin from Thermus thermophilus	A Celikgil, A D Bandaranayake, A Gizzi, A Kar, B Evans, B Hillerich, B Matikainen, B Smith, D A Calarese, H Patel, J B Bonanno, J Lafleur, J Love, M E Girvin, M K Chan, M Stead, R Banu, R Chaparro, R D Seidel, R Harris, S C Almo, S Chamala, S Garforth, S Lim
18415	2012-05-22	Chemical Shifts: 1 set	Solution structure of human C-type lectin domain family 4 member D	Solution structure of human C-type lectin domain family 4 member D	A Celikgil, A D Bandaranayake, A Gizzi, A Kar, B Evans, B Hillerich, B Matikainen, B Smith, D A Calarese, H Patel, J B Bonanno, J Gaudette, J Lafleur, J Love, M E Girvin, M K Chan, M Stead, R Banu, R Chaparro, R D Seidel, R Harris, S C Almo, S Chamala, S Garforth, S Lim
18411	2012-05-22	Chemical Shifts: 1 set	Solution structure of a putative protein disulfide isomerase from Bacteroides thetaiotaomicron	Solution structure of a putative protein disulfide isomerase from Bacteroides thetaiotaomicron	A Celikgil, A D Bandaranayake, A Gizzi, A Kar, B Evans, B Hillerich, B Matikainen, B Smith, D A Calarese, H Patel, J B Bonanno, J Lafleur, J Love, M E Girvin, M K Chan, M Stead, R Banu, R Chaparro, R D Seidel, R Harris, S C Almo, S Chamala, S Garforth, S Lim
18394	2012-04-24	Chemical Shifts: 1 set	Solution structure of the uncharacterized thioredoxin-like protein BVU_1432 from Bacteroides vulgatus	Solution structure of the uncharacterized thioredoxin-like protein BVU_1432 from Bacteroides vulgatus	A Celikgil, A D Bandaranayake, A Gizzi, A Kar, B Evans, B Hillerich, B Matikainen, B Smith, D A Calarese, H Patel, J B Bonanno, J Lafleur, J Love, M E Girvin, M K Chan, M Stead, R Banu, R Chaparro, R D Seidel, R Harris, S C Almo, S Chamala, S Garforth, S Lim
18387	2012-05-21	Chemical Shifts: 1 set	Solution structure of a thiol:disulfide interchange protein from Bacteroides sp.	Solution structure of a thiol:disulfide interchange protein from Bacteroides sp.	A Celikgil, A D Bandaranayake, A Gizzi, A Kar, B Evans, B Hillerich, B Matikainen, B Smith, D A Calarese, H Patel, J B Bonanno, J Lafleur, J Love, M E Girvin, M K Chan, M Stead, R Banu, R Chaparro, R D Seidel, R Harris, S C Almo, S Chamala, S Garforth, S Lim
18345	2012-04-30	Chemical Shifts: 1 set	Solution structure of the anti-fungal defensin DEF4 (MTR_8g070770) from Medicago truncatula (barrel clover)	Structure-function analysis of the plant defensin DEF4 from Medicago truncatula (barrel clover)	Dilip M Shah, Garry W Buchko, Thomas J Smith
16963	2012-03-29	Chemical Shifts: 1 set	Structure of the scorpion toxin U1-Liotoxin-Lw1a	Unique scorpion toxin with a putative ancestral fold provides insight into evolution of the inhibitor cystine knot motif	Glenn F King, Graham M Nicholson, Jennifer J Smith, Justine M Hill, Michelle J Little, Paul F Alewood
16471	2010-01-28	Chemical Shifts: 1 set	Backbone 1H, 13C, and 15N Chemical Shift Assignments for IQGAP1 (401-533)	The PTB domain of ShcA couples receptor activation to the cytoskeletal regulator IQGAP1.	Andrei Starostine, Guang-Yao Li, Marilyn Goudreault, Matthew J Smith, Mitsuhiko Ikura, Pavel Metalnikov, Steven Hersch, Tony Pawson, W Rod Hardy
16470	2010-01-28	Chemical Shifts: 1 set	Backbone 1H, 13C, and 15N Chemical Shift Assignments for ShcA PTB Domain	The PTB domain of ShcA couples receptor activation to the cytoskeletal regulator IQGAP1.	Andrei Starostine, Guang-Yao Li, Marilyn Goudreault, Matthew J Smith, Mitsuhiko Ikura, Pavel Metalnikov, Steven Hersch, Tony Pawson, W Rod Hardy
16294	2010-03-01	Chemical Shifts: 1 set	1H (NH, HA, HB, other) Chemical Shift Assignments of Peach Pru p 3, Non-Specific Lipid Transfer Protein (nsLTP) isolated from Peach fruit skin	The structural characteristics of nonspecific lipid transfer proteins explain their resistance to gastroduodenal proteolysis.	Alan R Mackie, Ana I Sancho, E N Clare Mills, Justin Marsh, Lorna J Smith, Peter R Shewry, Phil Johnson, Ramani Wijesinha-Bettoni, Syed U Abdullah, Yuri Alexeev
16293	2009-09-04	Chemical Shifts: 2 sets	Solution structure of CA150 FF1 domain and FF1-FF2 interdomain linker	Structural studies of FF domains of the transcription factor CA150 provide insights into the organization of FF domain tandem arrays.	D Flemming Hansen, D Ranjith Muhandiram, Frank Sicheri, James M Murphy, Julie D Forman-Kay, Lewis E Kay, Matthew J Smith, Mikael Borg, Silke Wiesner, Tony Pawson
15983	2009-04-02	Chemical Shifts: 1 set	NMR SOLUTION STRUCTURE FOR ShK-192: A POTENT KV1.3-SPECIFIC IMMUNOSUPPRESSIVE POLYPEPTIDE	Engineering a stable and selective peptide blocker of the Kv1.3 channel in T lymphocytes	A Garcia, A Giuffrida, A Orzel, B J Smith, C A Galea, C Beeton, C Dixon, D Nugent, D Plank, G Crossley, I Khaytin, I Peshenko, K G Chandy, K P Monaghan, M W Pennington, R S Norton, R V Moore, S Chauhan, S Rangaraju, T Inoue, V Chi, X Hu, Y LeFievre
20049	2009-04-04	Chemical Shifts: 1 set	NMR solution structure of Mu-KIIIA[C1A,C9A]	Structure of the Analgesic mu-Conotoxin KIIIA and Effects on the Structure and Function of Disulfide Deletion	Baldomero M Olivera, Brian J Smith, Doju Yoshikami, Grzegorz Bulaj, Keith K Khoo, Min-Min Zhang, Raymond S Norton, Zhi-Ping Feng
20048	2009-04-04	Chemical Shifts: 1 set Conformer_family_coord_set: 1 set	NMR solution structure of an analgesic Mu-contoxin KIIIA	Structure of the Analgesic mu-Conotoxin KIIIA and Effects on the Structure and Function of Disulfide Deletion	Baldomero M Olivera, Brian J Smith, Doju Yoshikami, Grzegorz Bulaj, Keith K Khoo, Min-Min Zhang, Raymond S Norton, Zhi-Ping Feng
15214	2007-09-12	Chemical Shifts: 1 set	MxiHCdelta5 backbone assignment	Identification of the MxiH needle protein residues responsible for anchoring invasion plasmid antigen D to the type III secretion needle tip	Andrew J Olive, Lingling Zhang, Nathan D Smith, Roberto N De Guzman, Wendy L Picking, William D Picking, Yu Wang
15143	2007-10-30	Chemical Shifts: 1 set	1H (NH, HA, HB) Chemical Shift Assignments of the Non-Specific Lipid Transfer Protein (nsLTP1) with post translational modification, isolated from Barley Seeds	Post-translational modification of barley LTP1b: the lipid adduct lies in the hydrophobic cavity and alters the protein dynamics	Alan R Mackie, Chunli Gao, E N Clare Mills, John A Jenkins, Lorna J Smith, Peter J Wilde, Ramani Wijesinha-Bettoni
7269	2007-06-27	Chemical Shifts: 1 set	1H, 13C, 15N sequence-specific backbone and sidechain resonance assignments for dockerin-containing C-terminal region of the NagH hyaluronidase from Clostridium perfringens	NMR assignment of backbone and side chain resonances for a dockerin-containing C-terminal fragment of the putative mu-toxin from Clostridium perfringens	Jarrett J Adams, Seth Chitayat, Steven P Smith
7270	2007-06-27	Chemical Shifts: 1 set	1H, 13C, 15N sequence-specific backbone and sidechain resonance assignments for a putative protein-protein interaction module from a family 84 glycoside hydrolase of Clostridium perfringens	NMR assignment of backbone and side chain resonances for a putative protein-protein interaction module from a family 84 glycoside hydrolase of Clostridium perfringens	Alisdair B Boraston, Elizabeth Ficko-Blean, Jarrett J Adams, Katie Gregg, Seth Chitayat, Steven P Smith
6166	2004-09-07	Chemical Shifts: 1 set Coupling Constants: 1 set	Solution structure of the second complement control protein (CCP) module of the GABA(B)R1a receptor, Pro-119 cis conformer	Structural analysis of the CCP modules of the GABAB receptor 1a: Only one of the two CCP modules is compactly folded.	B O Smith, D C Soares, D Uhrin, J H White, P N Barlow, RA J McIlhinney, R Ginham, S C Blein, S Veltel
6171	2004-09-07	Chemical Shifts: 1 set Coupling Constants: 1 set	Solution structure of the second complement control protein (CCP) module of the GABA(B)R1a receptor, Pro-119 trans conformer	Structural analysis of the CCP modules of the GABAB receptor 1a: Only one of the two CCP modules is compactly folded	B O Smith, D C Soares, D Uhrin, J H White, P N Barlow, R Ginham, R J McIlhinney, S C Blein, S Veltel
6078	2004-04-09	Chemical Shifts: 1 set	IA3, an Aspartic Proteinase Inhibitor for Saccharomyces cerevisiae, Is Intrinsically Unstructured in Solution	IA3, an Aspartic Proteinase Inhibitor from Saccharomyces cerevisiae, Is Intrinsically Unstructured in Solution.	Arthur S Edison, Ben M Dunn, Kyle Perry, Leif Smith, Lowri H Phylip, Omjoy Ganesh, Stephen J Hagen, Terry B Green, Timothy M Logan
6033	2004-02-12	Chemical Shifts: 1 set	NMR characterisation shows that a b-type variant of Hydrogenobacter thermophilus cytochrome c552 retains its native fold	NMR analysis shows that a b-type variant of hydrogenobacter thermophilus cytochrome c552 retains its native structure	Christina Redfield, Lorna J Smith, Rachel Wain
5922	2003-12-19	Chemical Shifts: 1 set	Solution Structure of the HERG K+ channel S5-P extracellular linker	Structure of the HERG K+ channel S5P extracellular linker: Role of an amphipathic alpha-helix in c-type inactivation	A Bauskin, A M Torres, C E Clarke, D J Smith, J A Bursill, J I Vandenberg, M Sunde, P F Alewood, P S Bansal, P W Kuchel, S N Breit, T J Campbell
5733	2004-09-14	Chemical Shifts: 2 sets	1H Chemical Shift Assignments for SCR3 peptide (34-54)	Alpha and beta Conformational preferences in Fibril Forming Peptides Characterised using NMR and CD Techniques	Amanda K Sherwood, Leonardo F Fraceto, Lorna J Smith, Mario Bouchard, Maureen Pitkeathly, Thelma A Pertinhez
5734	2004-09-14	Chemical Shifts: 2 sets	1H Chemical Shift Assignments for SCR3 peptide (27-33)	Alpha and beta Conformational preferences in Fibril Forming Peptides Characterised using NMR and CD Techniques	Amanda K Sherwood, Leonardo F Fraceto, Lorna J Smith, Mario Bouchard, Maureen Pitkeathly, Thelma A Pertinhez
5732	2004-09-14	Chemical Shifts: 2 sets	1H Chemical Shift Assignments for SCR3 peptide (18-54)	Alpha and beta Conformational preferences in Fibril Forming Peptides Characterised using NMR and CD Techniques	Amanda K Sherwood, Leonardo F Fraceto, Lorna J Smith, Mario Bouchard, Maureen Pitkeathly, Thelma A Pertinhez
5731	2004-09-14	Chemical Shifts: 3 sets Coupling Constants: 2 sets	1H Chemical Shift Assignments for SCR3 peptide (18-34)	Alpha and beta Conformational preferences in Fibril Forming Peptides Characterised using NMR and CD Techniques	Amanda K Sherwood, Leonardo F Fraceto, Lorna J Smith, Mario Bouchard, Maureen Pitkeathly, Thelma A Pertinhez
5201	2008-07-16	Chemical Shifts: 1 set	NMR ensemble of ion-selective ligand A1 for platelet integrin alphaIIb-beta3	Selection and Structure of Ion-selective Ligands for Platelet Integrin Alpha IIbbeta3	H Le Calvez, J W Smith, L Parra-Gessert, N Assa-Munt, N E Preece, X Jia
5021	2008-07-16	Chemical Shifts: 1 set Coupling Constants: 1 set	NMR Ensemble of Ion-Selective Ligand D18 for Platelet Integrin AlphaIIb-Beta3	Selection and Structure of Ion-selective Ligands for Platelet Integrin {Alpha}IIb{beta}3	H Le Calvez, J W Smith, L Parra-Gessert, N Assa-Munt, N E Preece, X Jia
5020	2008-07-16	Chemical Shifts: 1 set Coupling Constants: 1 set	NMR Ensemble of Ion-Selective Ligand D18 for Platelet Integrin AlphaIIb-Beta3	Selection and Structure of Ion-selective Ligands for Platelet Integrin {Alpha}IIb{beta}3	H Le Calvez, J W Smith, L Parra-Gessert, N Assa-Munt, N E Preece, X Jia
4926	2001-03-06	Chemical Shifts: 2 sets	1H and 15N Chemical Shifts of CI2 with a ten glutamine repeat between residues 59 and 60	Solution studies of chymotrypsin inhibitor-2 glutamine insertion mutants show no interglutamine interactions	David Neuhaus, Duncan J Gordon-Smith, Kelvin Stott, Rodrigo J Carbajo
4923	2002-09-23	Chemical Shifts: 1 set	1H chemical shift assignments for omega-atracotoxin-Hv2a	Discovery and structure of a potent and highly specific blocker of insect calcium channels.	D Shaw, D Wilson, Glenn F King, G M Nicholson, H I Wilson, J P Mackay, M Connor, M J Christie, P F Alewood, R Smith, Xiu-hong Wang
4906	2001-05-09	Chemical Shifts: 1 set	Solution Structure of a C-Terminal Coiled-Coil Domain from Bovine IF1 - the Inhibitor Protein of F1 ATPase	Solution Structure of a C-terminal Coiled-coil Domain from Bovine IF1: The Inhibitor Protein of F1 ATPase	David Neuhaus, Duncan J Gordon-Smith, Hortense Videler, Ji-Chun Yang, John E Walker, Michael J Runswick, Rodrigo J Carbajo
4880	2001-02-27	Chemical Shifts: 1 set	1H, 15N and 13C resonance assignments of the N-terminal region of calponin	Letter to the Editor: 1H, 15N and 13C resonance assignments of the N-terminal region of calponin	Brian O Smith, Dusan Uhrin, Janice Bramham, Paul N Barlow, Steven J Winder
4831	2001-05-01	Chemical Shifts: 1 set Residual Dipolar Couplings: 2 sets	Backbone 1H, 13C, and 15N Chemical Shift Assignments for Lysozyme	A Refined Solution Structure of Hen Lysozyme Determined Using Residual Dipolar Coupling Data	Andrew Spencer, Christina Redfield, Christopher M Dobson, Harald Schwalbe, Jonathan Boyd, Lorna J Smith, Matthias Buck, Shaun Grimshaw
4685	2000-03-23	Chemical Shifts: 1 set	Backbone and side-chain 1H chemical shifts for J-atracotoxin-Hv1c	Discovery and characterization of a family of insecticidal neurotoxins with a rare vicinal disulfide bridge	Glenn F King, Graham M Nicholson, Macdonald J Christie, Mark Connor, Mark W Maciejewski, Merlin EH Howden, Ross Smith, Xiu-hong Wang
4426	2000-06-12	Chemical Shifts: 1 set	Solution Structure of Holo-biotinyl Domain from Acetyl Coenzyme A Carboxylase of Escherichia coli Determined by Triple-Resonance NMR Spectroscopy	Solution Structure of Apo- and Holo-biotinyl Domain from Acetyl Coenzyme A Carboxylase of Escherichia coli Determined by Triple-Resonance NMR Spectroscopy	A Chapman-smith, E L Roberts, J C Wallace, J E Cronan, M J Howard, N Shu, R N Perham, R W Broadhurst, T Morris
4425	1999-12-23	Chemical Shifts: 1 set	Solution structure of apo-biotinyl domain from acetyl coenzyme A carboxylase of Escherichia coli determined by triple-resonance NMR spectroscopy	SOLUTION STRUCTURES OF APO- AND HOLO-BIOTINYL DOMAINS FROM ACETYL COENZYME A CARBOXYLASE OF ESCHERICHIA COLI DETERMINED BY TRIPLE-RESONANCE NMR SPECTROSCOP	A CHAPMAN-SMITH, E L ROBERTS, J C WALLACE, J E CRONAN, M J HOWARD, N SHU, R N PERHAM, R W BROADHURST, T MORRIS
4550	2006-02-17	Chemical Shifts: 1 set Coupling Constants: 1 set	NMR structure of the palindromic DNA decamer d(GCGTTAACGC)2	NMR Structure of the Palindromic DNA Decamer d(GCGTTAACGC)2	D A Case, J A Smith, V T Tsui, W J Chazin
4375	2006-12-08	Chemical Shifts: 1 set	1H, 13C and 15N Assignments of Ubiquitin Unfolded in 8M Urea, pH2 and Analysis of Chemical shift Dispersion in Unfolded Proteins	Chemical Shifts in Denatured Proteins: Resonance Assignments for Denatured Ubiquitin and Comparisons with other Denatured Proteins	Christina Redfield, Harald Schwalbe, Lorna J Smith, Wolfgang Peti
4236	2000-12-18	Chemical Shifts: 1 set	Sequence-specific Resonance Assignments for the NADP(H)-binding Component (domain III) of Proton-translocating Transhydrogenase from Rhodospirillum rubrum.	Solution structure of the NADP(H)-binding component (dIII) of proton-translocating transhydrogenase from Rhodospirillum rubrum	Baz J Jackson, John K Smith, Mark Jeeves, Nick PJ Cotton, Philip G Quirk
4233	2003-02-27	Chemical Shifts: 1 set	1H Chemical Shift Assignments for Omega-Atracotoxin-Hv1a	The Structure of a Novel Insecticidal Neurotoxin, Omega-Atracotoxin-Hv1a, from the Venom of an Australian Funnel Web Spider	Glenn F King, Jamie I Fletcher, MacDonald J Christie, Mark Connor, Merlin EH Howden, Michael Nilges, Ross Smith, Sean I O'Donoghue
4185	Unknown	Chemical Shifts: 1 set	1H Chemical Shift Assignments for Gurmarin	High-Resolution Solution Structure of Gurmarin,a Sweet-Taste-Suppressing Plant Polypeptide	Andrew J Dingley, Christie J MacDonald, Glenn F King, Jamie I Fletcher, Mark Connor, Ross Smith
2031	1995-07-31	Chemical Shifts: 1 set	Secondary Structure and Topology of Human Interleukin 4 in Solution	Secondary Structure and Topology of Human Interleukin 4 in Solution	Christina Redfield, Christopher M Dobson, G MarkP Lawrence, Jonathan Boyd, Lorna J Smith, Richard AG Smith, Robert G Edwards
2329	1995-07-31	Chemical Shifts: 1 set	Structural determinants of Cys2His2 zinc fingers	Structural determinants of Cys2His2 zinc fingers	Lizann Bolinger, Min S Lee, Peter E Wright, Russell J Mortishire-Smith
2328	Unknown	Chemical Shifts: 1 set	Structural determinants of Cys2His2 zinc fingers	Structural determinants of Cys2His2 zinc fingers	Lizann Bolinger, Min S Lee, Peter E Wright, Russell J Mortishire-Smith