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Entry ID	Original Release date	Data summary	Entry Title	Citation Title	Authors
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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