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Entry ID	Original Release date	Data summary	Entry Title	Citation Title	Authors
31264	2025-09-25	Chemical Shifts: 1 set	NMR RDC refinement of the catalytic domain of the SARS-CoV-2 monomeric Main Protease (MPROH41Q,10-306)	Solution Domain Dynamics of Monomeric SARS-CoV-2 Main Pro-tease Revealed by Optimized NMR Residual Dipolar Coupling Measurements.	A Bax, J M Louis, J Ying, M J Smith, S Yang
31263	2025-09-25	Chemical Shifts: 1 set	NMR RDC refinement of the helical domain of the SARS-CoV-2 monomeric Main Protease (MPROH41Q,10-306)	Solution Domain Dynamics of Monomeric SARS-CoV-2 Main Protease Revealed by Optimized NMR Residual Dipolar Coupling Measurements.	A Bax, J M Louis, J Ying, M J Smith, S Yang
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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