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Entry ID	Original Release date	Data summary	Entry Title	Citation Title	Authors
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
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
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
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
30693	2020-01-02	Chemical Shifts: 1 set	EROS3 RDC and NOE Derived Ubiquitin Ensemble	Enhancing NMR derived ensembles with kinetics on multiple timescales.	A K Rout, A Mazur, B L de Groot, C A Smith, C Griesinger, D Lee, S Becker
27845	2019-08-14	Chemical Shifts: 1 set	Solid-state NMR backbone assignment of HBV core protein at 100 kHz	100 kHz MAS Proton-Detected NMR Spectroscopy of Hepatitis B Virus Capsids	Alexander Malar, Anja Bockmann, Beat Meier, Lauriane Lecoq, Maarten Schledorn, Michael Nassal, Morgane Callon, Shishan Wang, Susanne Smith-Penzel
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
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
25389	2015-08-13	Chemical Shifts: 1 set Coupling Constants: 1 set Heteronuclear NOE Values: 1 set T1 Relaxation Values: 1 set T2 Relaxation Values: 1 set	Backbone 1HN,15N assignments, 15N relaxation data and 3JHNHA coupling constants for wild-type Hydrogenobacter thermophilus cytochrome c552	Comparison of the backbone dynamics of wild-type Hydrogenobacter thermophilus cytochrome c(552) and its b-type variant	Christina Redfield, Kaeko Tozawa, Lorna Smith, Stuart Ferguson
25390	2015-08-13	Chemical Shifts: 1 set Coupling Constants: 1 set Heteronuclear NOE Values: 1 set T1 Relaxation Values: 1 set T2 Relaxation Values: 1 set	Backbone 1HN,15N assignments, 15N relaxation data and 3JHNHA coupling constants for the C10A/C13A variant of Hydrogenobacter thermophilus cytochrome c552	Comparison of the backbone dynamics of wild-type Hydrogenobacter thermophilus cytochrome c(552) and its b-type variant	Christina Redfield, Kaeko Tozawa, Lorna Smith, Stuart Ferguson
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
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
18484	2012-11-27	Chemical Shifts: 1 set	Conformational analysis of StrH, the surface-attached exo- -D-N-acetylglucosaminidase from Streptococcus pneumoniae.	Conformational Analysis of StrH, the Surface-Attached exo--d-N-Acetylglucosaminidase from Streptococcus pneumoniae.	Alisdair B Boraston, Benjamin Pluvinage, D Wade Abbott, Elizabeth Ficko-Blean, Holly L Spencer, Jobby Maroor Kunjachen, Julie Grondin, Seth Chitayat, Steven P Smith
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
17694	2011-09-14	Chemical Shifts: 1 set	1H, 15N and 13C backbone and side-chain assignments of a family 32 carbohydrate-binding module (CBM32) from the Clostridium perfringens NagH	1H, 15N and 13C backbone and side-chain resonance assignments of a family 32 carbohydrate-binding module from the Clostridium perfringens NagH.	Alisdair B Boraston, Elizabeth Ficko-Blean, Julie M Grondin, Seth Chitayat, Steven P Smith
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
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
5077	2002-10-10	Chemical Shifts: 1 set	1H, 15N, 13C NMR Assignments of M156R Protein from myxoma virus, NESG target OP2	Myxoma virus immunomodulatory protein M156R is a structural mimic of eukaryotic translation initiation factor eIF2a	Adelinda A Yee, Aled M Edwards, Cheryl H Arrowsmith, John R Cort, L Furong, M B Goshe, Michael A Kennedy, R D Smith, T E Dever, Theresa A Ramelot
1461	1995-07-31	Chemical Shifts: 1 set	1H-NMR study of the mechanism of assembly and equilibrium heme orientation of sperm whale myoglobin reconstituted with protohemin type-isomers	1H-NMR study of the mechanism of assembly and equilibrium heme orientation of sperm whale myoglobin reconstituted with protohemin type-isomers	Daniel W Parish, Gerd N La Mar, Jai P Singh, Jon B Hauksson, Kevin M Smith, Ravindra K Pandey, Usha Pande
1459	1995-07-31	Chemical Shifts: 1 set	1H-NMR study of the mechanism of assembly and equilibrium heme orientation of sperm whale myoglobin reconstituted with protohemin type-isomers	1H-NMR study of the mechanism of assembly and equilibrium heme orientation of sperm whale myoglobin reconstituted with protohemin type-isomers	Daniel W Parish, Gerd N La Mar, Jai P Singh, Jon B Hauksson, Kevin M Smith, Ravindra K Pandey, Usha Pande
1457	1995-07-31	Chemical Shifts: 1 set	1H-NMR study of the mechanism of assembly and equilibrium heme orientation of sperm whale myoglobin reconstituted with protohemin type-isomers	1H-NMR study of the mechanism of assembly and equilibrium heme orientation of sperm whale myoglobin reconstituted with protohemin type-isomers	Daniel W Parish, Gerd N La Mar, Jai P Singh, Jon B Hauksson, Kevin M Smith, Ravindra K Pandey, Usha Pande
1455	1995-07-31	Chemical Shifts: 1 set	1H-NMR study of the mechanism of assembly and equilibrium heme orientation of sperm whale myoglobin reconstituted with protohemin type-isomers	1H-NMR study of the mechanism of assembly and equilibrium heme orientation of sperm whale myoglobin reconstituted with protohemin type-isomers	Daniel W Parish, Gerd N La Mar, Jai P Singh, Jon B Hauksson, Kevin M Smith, Ravindra K Pandey, Usha Pande
1033	1995-07-31	Chemical Shifts: 1 set	1H NMR Study of the Role of Individual Heme Propionates in Modulating Structural and Dynamic Properties of the Heme Pocket in Myoglobin	1H NMR Study of the Role of Individual Heme Propionates in Modulating Structural and Dynamic Properties of the Heme Pocket in Myoglobin	Gerd N La Mar, Irene N Rezzano, Jon B Hauksson, Kevin M Smith, Ravindra K Pandey
1032	1995-07-31	Chemical Shifts: 1 set	1H NMR Study of the Role of Individual Heme Propionates in Modulating Structural and Dynamic Properties of the Heme Pocket in Myoglobin	1H NMR Study of the Role of Individual Heme Propionates in Modulating Structural and Dynamic Properties of the Heme Pocket in Myoglobin	Gerd N La Mar, Irene N Rezzano, Jon B Hauksson, Kevin M Smith, Ravindra K Pandey
1031	1995-07-31	Chemical Shifts: 1 set	1H NMR Study of the Role of Individual Heme Propionates in Modulating Structural and Dynamic Properties of the Heme Pocket in Myoglobin	1H NMR Study of the Role of Individual Heme Propionates in Modulating Structural and Dynamic Properties of the Heme Pocket in Myoglobin	Gerd N La Mar, Irene N Rezzano, Jon B Hauksson, Kevin M Smith, Ravindra K Pandey
1030	1995-07-31	Chemical Shifts: 1 set	1H NMR Study of the Role of Individual Heme Propionates in Modulating Structural and Dynamic Properties of the Heme Pocket in Myoglobin	1H NMR Study of the Role of Individual Heme Propionates in Modulating Structural and Dynamic Properties of the Heme Pocket in Myoglobin	Gerd N La Mar, Irene N Rezzano, Jon B Hauksson, Kevin M Smith, Ravindra K Pandey
1029	1995-07-31	Chemical Shifts: 1 set	1H NMR Study of the Role of Individual Heme Propionates in Modulating Structural and Dynamic Properties of the Heme Pocket in Myoglobin	1H NMR Study of the Role of Individual Heme Propionates in Modulating Structural and Dynamic Properties of the Heme Pocket in Myoglobin	Gerd N La Mar, Irene N Rezzano, Jon B Hauksson, Kevin M Smith, Ravindra K Pandey
1028	1995-07-31	Chemical Shifts: 1 set	1H NMR Study of the Role of Individual Heme Propionates in Modulating Structural and Dynamic Properties of the Heme Pocket in Myoglobin	1H NMR Study of the Role of Individual Heme Propionates in Modulating Structural and Dynamic Properties of the Heme Pocket in Myoglobin	Gerd N La Mar, Irene N Rezzano, Jon B Hauksson, Kevin M Smith, Ravindra K Pandey
1471	1995-07-31	Chemical Shifts: 1 set	1H-NMR study of the mechanism of assembly and equilibrium heme orientation of sperm whale myoglobin reconstituted with protohemin type-isomers	1H-NMR study of the mechanism of assembly and equilibrium heme orientation of sperm whale myoglobin reconstituted with protohemin type-isomers	Daniel W Parish, Gerd N La Mar, Jai P Singh, Jon B Hauksson, Kevin M Smith, Ravindra K Pandey, Usha Pande
1027	1995-07-31	Chemical Shifts: 1 set	1H NMR Study of the Role of Individual Heme Propionates in Modulating Structural and Dynamic Properties of the Heme Pocket in Myoglobin	1H NMR Study of the Role of Individual Heme Propionates in Modulating Structural and Dynamic Properties of the Heme Pocket in Myoglobin	Gerd N La Mar, Irene N Rezzano, Jon B Hauksson, Kevin M Smith, Ravindra K Pandey
1469	1995-07-31	Chemical Shifts: 1 set	1H-NMR study of the mechanism of assembly and equilibrium heme orientation of sperm whale myoglobin reconstituted with protohemin type-isomers	1H-NMR study of the mechanism of assembly and equilibrium heme orientation of sperm whale myoglobin reconstituted with protohemin type-isomers	Daniel W Parish, Gerd N La Mar, Jai P Singh, Jon B Hauksson, Kevin M Smith, Ravindra K Pandey, Usha Pande
1467	1995-07-31	Chemical Shifts: 1 set	1H-NMR study of the mechanism of assembly and equilibrium heme orientation of sperm whale myoglobin reconstituted with protohemin type-isomers	1H-NMR study of the mechanism of assembly and equilibrium heme orientation of sperm whale myoglobin reconstituted with protohemin type-isomers	Daniel W Parish, Gerd N La Mar, Jai P Singh, Jon B Hauksson, Kevin M Smith, Ravindra K Pandey, Usha Pande
1465	1995-07-31	Chemical Shifts: 1 set	1H-NMR study of the mechanism of assembly and equilibrium heme orientation of sperm whale myoglobin reconstituted with protohemin type-isomers	1H-NMR study of the mechanism of assembly and equilibrium heme orientation of sperm whale myoglobin reconstituted with protohemin type-isomers	Daniel W Parish, Gerd N La Mar, Jai P Singh, Jon B Hauksson, Kevin M Smith, Ravindra K Pandey, Usha Pande
1463	1995-07-31	Chemical Shifts: 1 set	1H-NMR study of the mechanism of assembly and equilibrium heme orientation of sperm whale myoglobin reconstituted with protohemin type-isomers	1H-NMR study of the mechanism of assembly and equilibrium heme orientation of sperm whale myoglobin reconstituted with protohemin type-isomers	Daniel W Parish, Gerd N La Mar, Jai P Singh, Jon B Hauksson, Kevin M Smith, Ravindra K Pandey, Usha Pande