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Entry ID	Original Release date	Data summary	Entry Title	Citation Title	Authors
53315	2025-08-15	Chemical Shifts: 1 set	MthK pore domain 13C detection	Atomistic Mechanism of Calcium-Mediated Inward Rectification of the MthK Potassium Channel by Solid-State NMR and MD Simulations	Adam Lange, Bert L de Groot, Carl Oster, Chaowei Shi, Denis Qoraj, Juan Li, Reinier de Vries, Sascha Lange, Wojciech Kopec
53314	2025-08-15	Chemical Shifts: 1 set	MthK pore domain 1H detected	Atomistic Mechanism of Calcium-Mediated Inward Rectification of the MthK Potassium Channel by Solid-State NMR and MD Simulations	Adam Lange, Bert L de Groot, Carl Oster, Chaowei Shi, Denis Qoraj, Juan Li, Reinier de Vries, Sascha Lange, Wojciech Kopec
52504	2024-07-18	Chemical Shifts: 2 sets	10x DPR2 dipeptide repeat with sequence (AMPA, L-Pro)10	Enumerative Discovery of Noncanonical Polypeptide Secondary Structures	Adam P Moyer, Alex Kang, Asim K Bera, Carles Curutchet, David Baker, Elisabet Romero, Gaetano T Montelione, Margaret A Eastman, Mariano Curti, Patrick J Salveson, Roberto Tejero, Theresa A Ramelot
52500	2024-07-08	Chemical Shifts: 1 set	5x DPR1 dipeptide repeat with sequence (L-Tyr, D-Pip)5	Enumerative Discovery of Noncanonical Polypeptide Secondary Structures	Adam P Moyer, Alex Kang, Asim K Bera, Carles Curutchet, David Baker, Elisabet Romero, Gaetano T Montelione, Margaret A Eastman, Mariano Curti, Patrick J Salveson, Roberto Tejero, Theresa A Ramelot
52499	2024-07-08	Chemical Shifts: 2 sets	1x DPR2 dipeptide repeat with sequence (AMPA, L-Pro)1	Enumerative Discovery of Noncanonical Polypeptide Secondary Structures	Adam P Moyer, Alex Kang, Asim K Bera, Carles Curutchet, David Baker, Elisabet Romero, Gaetano T Montelione, Margaret A Eastman, Mariano Curti, Patrick J Salveson, Roberto Tejero, Theresa A Ramelot
52497	2024-07-08	Chemical Shifts: 2 sets	1x DPR1 dipeptide repeat with sequence (L-Tyr, D-Pip)1	Enumerative Discovery of Noncanonical Polypeptide Secondary Structures	Adam P Moyer, Alex Kang, Asim K Bera, Carles Curutchet, David Baker, Elisabet Romero, Gaetano T Montelione, Margaret A Eastman, Mariano Curti, Patrick J Salveson, Roberto Tejero, Theresa A Ramelot
52496	2024-07-24	Chemical Shifts: 1 set	3x DPR1 dipeptide repeat with sequence (L-Tyr, D-Pip)3	Enumerative Discovery of Noncanonical Polypeptide Secondary Structures	Adam P Moyer, Alex Kang, Asim K Bera, Carles Curutchet, David Baker, Elisabet Romero, Gaetano T Montelione, Margaret A Eastman, Mariano Curti, Patrick J Salveson, Roberto Tejero, Theresa A Ramelot
52357	2024-09-10	Chemical Shifts: 1 set	3x DPR1 dipeptide repeat with sequence (L-Tyr, D-Pip3	Enumerative Discovery of Noncanonical Polypeptide Secondary Structures	Adam P Moyer, Alex Kang, Asim K Bera, Carles Curutchet, David Baker, Elisabet Romero, Gaetano T Montelione, Margaret A Eastman, Mariano Curti, Patrick J Salveson, Roberto Tejero, Theresa A Ramelot
51435	2022-09-19	Chemical Shifts: 1 set	ILV chemical shift assignments for COQ8A in the presence of 1 mM 2-propylphenol	2-propylphenol Allosterically Modulates COQ8A to Enhance ATPase Activity	Adam Lewis, David J Pagliarini, Juan P Rincon Pabon, Katherine Henzler-Wildman, Michael L Gross, Nathan H Murray
51436	2022-09-19	Chemical Shifts: 1 set	ILV methyl chemical shift assignments for COQ8A in the presence of 1 mM 2-propylphenol and 1 mM Triton X-100	2-propylphenol Allosterically Modulates COQ8A to Enhance ATPase Activity	Adam Lewis, David J Pagliarini, Juan P Rincon Pabon, Katherine Henzler-Wildman, Michael L Gross, Nathan H Murray
51434	2022-09-19	Chemical Shifts: 1 set	ILV methyl chemical shift assignments for apo COQ8A-Ndel250	2-propylphenol Allosterically Modulates COQ8A to Enhance ATPase Activity	Adam Lewis, David J Pagliarini, Juan P Rincon Pabon, Katherine Henzler-Wildman, Michael L Gross, Nathan H Murray
34514	2020-07-03	Chemical Shifts: 1 set Spectral_peak_list: 2 sets	Solution NMR structure of the isolated NTE domain of BT1762-63 levan transporter	Insights into SusCD-mediated glycan import by a prominent gut symbiont	Abraham O Oluwole, Adam Mazur, Alan Cartmell, Amy J Glenwright, Arnaud Basle, Bert van den Berg, Carl Morland, Carol V Robinson, David N Bolam, Declan A Gray, Joshua White, Michael Zahn, Neil A Ranson, Parthasarathi Rath, Sasha L Evans, Sebastian Hiller
34359	2019-10-03	Chemical Shifts: 1 set	NMR solution structure of LSR2-T112D binding domain.	Protein kinase B controls Mycobacterium tuberculosis growth via phosphorylation of the transcriptional regulator Lsr2 at threonine 112	Adam A Witney, Andrew R Bottrill, Angelique De Visch, Christian Roumestand, Galina V Mukamolova, Heena Jagatia, Helen M O'Hare, Iona L Bartek, Kawther Alqaseer, Malgorzata Wegrzyn, Martin Cohen-Gonsaud, Martin I Voskuil, Obolbek Turapov, Paul Ajuh, Philippe Barthe, Simon J Waddell
34358	2019-10-03	Chemical Shifts: 1 set	NMR solution structure of LSR2 binding domain.	Protein kinase B controls Mycobacterium tuberculosis growth via phosphorylation of the transcriptional regulator Lsr2 at threonine 112	Adam A Witney, Andrew R Bottrill, Angelique De Visch, Christian Roumestand, Galina V Mukamolova, Heena Jagatia, Helen M O'Hare, Iona L Bartek, Kawther Alqaseer, Malgorzata Wegrzyn, Martin Cohen-Gonsaud, Martin I Voskuil, Obolbek Turapov, Paul Ajuh, Philippe Barthe, Simon J Waddell
27746	2019-08-02	Chemical Shifts: 1 set	The conduction pathway of potassium channels is water-free under physiological conditions	The conduction pathway of potassium channels is water free under physiological conditions	Adam Lange, Bert L de Groot, Carl Oester, Chaowei Shi, Dagmar Michl, Han Sun, Kitty Hendriks, Sascha Lange, Veniamin Chevelkov, Wojciech Kopec
30405	2018-03-05	Chemical Shifts: 1 set	Solution NMR structure of the omega conotoxin MoVIB from Conus moncuri	Novel analgesic omega-conotoxins from the vermivorous cone snail Conus moncuri provide new insights into the evolution of conopeptides	A Brust, D J Adams, I Vetter, J R McArthur, K J Rosengren, L Ragnarsson, M J Christie, P F Alewood, R F Bhola, R J Lewis, S Dutertre, S R Sousa
27219	2018-02-19	Chemical Shifts: 1 set	ssNMR assignment of membrane embedded NaK channel (ion-free conformer)	A single NaK channel conformation is not enough for non-selective ion conduction	Adam Lange, Bert L de Groot, Changlin Tian, Chaowei Shi, Han Sun, Kitty Hendriks, Xiaoying Cai, Yao He
27220	2018-02-19	Chemical Shifts: 1 set	ssNMR assignment of membrane embedded NaK channel (ion-favored conformer)	A single NaK channel conformation is not enough for non-selective ion conduction	Adam Lange, Bert L de Groot, Changlin Tian, Chaowei Shi, Han Sun, Kitty Hendriks, Xiaoying Cai, Yao He
27213	2017-10-31	Chemical Shifts: 1 set	RSK1 C-terminal peptide (696-735)	Dynamic control of RSK complexes by phosphoswitch-based regulation	Adam Levente L Poti, Andras Acs, Andrea Bodor, Anita Alexa, Attila Remenyi, Balint Szeder, Beata Biri-Kovacs, Gergo Gogl, Gitta Schlosser, Henrietta Vadaszi, Laszlo Buday, Laszlo Nyitray, Lilla Turiak
27214	2017-10-31	Chemical Shifts: 1 set	RSK1 phosphorylated C-terminal peptide (696-735)	Dynamic control of RSK complexes by phosphoswitch-based regulation	Adam Levente L Poti, Andras Acs, Andrea Bodor, Anita Alexa, Attila Remenyi, Balint Szeder, Beata Biri-Kovacs, Gergo Gogl, Gitta Schlosser, Henrietta Vadaszi, Laszlo Buday, Laszlo Nyitray, Lilla Turiak
26012	2016-05-09	Chemical Shifts: 1 set	Structural Model for the N-terminal Domain of Human Cdc37	Molecular Mechanism of Protein Kinase Recognition and Sorting by the Hsp90 Kinome-Specific Cochaperone Cdc37.	Adam A Aboalroub, Andrea D Diviney, Devon M Marshall, Dimitra K Keramisanou, Ioannis G Gelis, Ralf L Landgraf, Randy L Larsen, Wenjun L Liu, Ziming Z Zhang
25128	2015-07-20	Chemical Shifts: 1 set	cGm9a	Transforming conotoxins into cyclotides: backbone cyclization of P-superfamily conotoxins	Andrew C de Faoite, Anne C Conibear, David J Adams, David J Craik, Frank Mari, Mari C Heghinian, Muharrem Akcan, Norelle L Daly, Richard J Clark
25129	2015-07-20	Chemical Shifts: 1 set	cBru9a	Transforming conotoxins into cyclotides: backbone cyclization of P-superfamily conotoxins	Andrew C de Faoite, Anne C Conibear, David J Adams, David J Craik, Frank Mari, Mari C Heghinian, Muharrem Akcan, Norelle L Daly, Richard J Clark
19838	2019-01-11	Chemical Shifts: 1 set	H, N, Calpha and Cbeta assignments of oxidized Escherichia coli DsbA at pH 6.8	Application of fragment-based screening to the design of inhibitors of Escherichia coli DsbA.	Begona Heras, Biswaranjan Mohanty, Bradley C Doak, Brent R Plumb, Ellen C Gleeson, James Horne, Jamie S Simpson, Jennifer L Martin, Kieran Rimmer, Luke A Adams, Makrina Totsika, Mansha Vazirani, Mark D Mulcair, Martin J Scanlon, Martin L Williams, Olga V Ilyichova, Pooja Sharma, Sofia Caria, Stephen J Headey, Stephen R Shouldice
19839	2019-01-11	Chemical Shifts: 1 set	H, N, Calpha and Cbeta assignments of reduced Escherichia coli DsbA at pH 6.8	Application of fragment-based screening to the design of inhibitors of Escherichia coli DsbA.	Begona Heras, Biswaranjan Mohanty, Bradley C Doak, Brent R Plumb, Ellen C Gleeson, James Horne, Jamie S Simpson, Jennifer L Martin, Kieran Rimmer, Luke A Adams, Makrina Totsika, Mansha Vazirani, Mark D Mulcair, Martin J Scanlon, Martin L Williams, Olga V Ilyichova, Pooja Sharma, Sofia Caria, Stephen J Headey, Stephen R Shouldice
19570	2014-11-10	Chemical Shifts: 1 set	Solution NMR structure of the cactus-derived antimicrobial peptide Ep-AMP1	A cactus derived toxin-like cystine knot peptide with selective antimicrobial activity	Adam A Stromstedt, Hesham El-Seedi, Jan G Bruhn, K Johan Rosengren, Sunithi Gunasekera, Teshome L Aboye, Ulf Goransson
18232	2012-04-23	Chemical Shifts: 1 set	Solid-state NMR assignments for mouse alpha-synuclein fibrils	Structural Comparison of Mouse and Human -Synuclein Amyloid Fibrils by Solid-State NMR.	Adam Lange, Ashutosh Kumar, Claudio O Fernandez, Dietmar Riedel, Guohua Lv, Karin Giller, Maria L Orcellet, Stefan Becker
17344	2011-02-01	Chemical Shifts: 1 set	Solution structure of CHD4-PHD2 in complex with H3K9me3	Plant Homeodomain (PHD) Fingers of CHD4 Are Histone H3-binding Modules with Preference for Unmodified H3K4 and Methylated H3K9.	Adam L Garske, Ann H Kwan, Catherine A Musselman, Foteini Davrazou, Joel P Mackay, John M Denu, Robyn E Mansfield, Samuel S Oliver, Tatiana G Kutateladze
17285	2011-02-01	Chemical Shifts: 1 set	Structure of the first PHD finger (PHD1) from CHD4 (Mi2b).	Plant Homeodomain (PHD) Fingers of CHD4 Are Histone H3-binding Modules with Preference for Unmodified H3K4 and Methylated H3K9.	Adam L Garske, Ann H Kwan, Catherine A Musselman, Foteini Davrazou, Joel P Mackay, John M Denu, Robyn E Mansfield, Samuel S Oliver, Tatiana G Kutateladze
16475	2009-12-14	Chemical Shifts: 1 set	Assignment of 1H, 13C and 15N backbone resonances of Escherichia coli LpxC bound to L-161,240	Assignment of 1H, 13C and 15N backbone resonances of Escherichia coli LpxC bound to L-161,240.	Adam W Barb, Christian RH Raetz, Ling Jiang, Pei Zhou
20025	2008-07-30	Conformer_family_coord_set: 1 set	NMR solution structure of mu-conotoxin SIIIA	Neuronally Selective {micro}-Conotoxins from Conus striatus Utilize an {alpha}-Helical Motif to Target Mammalian Sodium Channels	Christina I Schroeder, David J Adams, Denise Adams, Jenny Ekberg, Katherine J Nielsen, Linda Thomas, Marion L Loughnan, Paul F Alewood, Richard J Lewis
20002	2008-06-30	Chemical Shifts: 1 set	Solution structure of RgIA	The three-dimensional structure of the analgesic alpha-conotoxin, RgIA	David J Adams, David J Craik, Norelle L Daly, Reena Halai, Richard J Clark, Simon T Nevin
7107	2006-09-11	Chemical Shifts: 1 set	1H, 13C and 15N Chemical Shift Assignments for human Keratinocyte Fatty-acid binding protein with potent small molecule inhibitor (BMS-480404)	1H,13C and 15N assigned chemical shifts for human keratinocyte fatty acid-binding protein with a small molecule inhibitor (BMS-480404)	B Farmer, D Magnin, D Taylor, J Robl, K Constantine, L Adam, L Mueller, Patricia McDonnell, R Parker, R Sulsky, S Johnson, T Caulfield, V Goldfarb, W Metzler
7073	2006-06-27	Chemical Shifts: 1 set Coupling Constants: 1 set Residual Dipolar Couplings: 1 set	Structure Determination of a New Protein (PF1455) from Backbone-Centered NMR Data and NMR-Assisted Structure Prediction	Structure determination of a new protein from backbone-centered NMR data and NMR-assisted structure prediction	Frank E Jenney, James H Prestegard, Kristen L Mayer, Mike W Adams, Peter D LeBlond, P S Brereton, Sonal Bansal, Ying Qu, Ying Xu
6896	2007-02-06	Chemical Shifts: 1 set	Solution structure of [Sec2,3,8,12]-ImI	alpha -selenoconotoxins: A new class of potent alpha 7 neuronal nicotinic receptor antagonists	C J Armishaw, D J Adams, D J Craik, N L Daly, P F Alewood, S T Nevin
6897	2007-02-06	Chemical Shifts: 1 set	Solution structure of [Sec2,8]-ImI	alpha-selenoconotoxins: A new class of potent alpha 7 neuronal nicotinic receptor antagonists	C J Armishaw, D J Adams, D J Craik, N L Daly, P F Alewood, S T Nevin
6817	2005-11-21	Chemical Shifts: 1 set	Structure of cyclic conotoxin MII-7	Engineering stable peptide toxins by means of backbone cyclization: stabilization of the alpha-conotoxin MII.	D J Adams, D J Craik, F A Meunier, H Fischer, K J Rosengren, L Dempster, N L Daly, R J Clark, S Nevin
6818	2005-11-21	Chemical Shifts: 1 set	Structure of the cyclic conotoxin MII-6	Engineering stable peptide toxins by means of backbone cyclization: stabilization of the alpha-conotoxin MII.	D J Adams, D J Craik, F A Meunier, H Fischer, K J Rosengren, L Dempster, N L Daly, R J Clark, S Nevin
6187	2004-06-25	Chemical Shifts: 1 set Coupling Constants: 1 set Residual Dipolar Couplings: 6 sets	BACKBONE SOLUTION STRUCTURE OF MIXED ALPHA/BETA PROTEIN PF1061	Backbone Solution Structures of Proteins Using Residual Dipolar Couplings: Application to a Novel Structural Genomics Target	C M Bougault, F E Jenney, H Valafar, J H Prestegard, K L Mayer, M WW Adams, P D LeBlond, P S Brereton
6135	2004-06-29	Chemical Shifts: 1 set	Solution structure of conotoxin MrVIB	Structures of mu O-conotoxins from Conus marmoreus: Inhibitors of TTX-sensitive and TTX-resistant sodium channels in mammalian sensory neurons	D J Adams, D J Craik, J A Ekberg, L Thomas, N L Daly, R J Lewis
6027	2004-02-11	Homonuclear NOE Values: 1 set	NMR Solution Structure of PIIIA toxin, NMR, 20 structures	Solution structure of mu-conotoxin PIIIA, a preferential inhibitor of persistent tetrodotoxin-sensitive sodium channels	A K Hammarstrom, D Adams, D J Adams, D J Craik, J M Hill, K J Nielsen, L Thomas, M Watson, P F Alewood, P W Gage, R J Lewis
5667	2003-08-07	Chemical Shifts: 1 set	Solution structure of the first zinc-finger domain from ZNF265	The Structure of the Zinc Finger Domain from Human Splicing Factor ZNF265 Fold	A HY Kwan, B J Morris, B J Westman, C A Plambeck, D J Adams, J P Mackay, L van der Weyden, R L Medcalf
5585	2008-07-17	Chemical Shifts: 1 set	Isolation, structure and activity of GID, a novel alpha4/7-conotoxin with an extended N-terminal sequence	Isolation, Structure, and Activity of GID, a Novel Alpha 4/7-conotoxin with an Extended N-terminal Sequence	A C Nicke, D J Adams, D J Craik, E L Millard, M L Loughnan, N L Daly, P F Alewood, R J Lewis
4500	2000-07-21	Chemical Shifts: 1 set	w-conotoxin MVIIC from Conus magus	Structure-Activity relationships of w-conotoxins MVIIA, MVIIC and 14 loop splice hybrids at N- and P/Q-type calcium channel	D Adams, D J Craik, K J Nielsen, L Thomas, P F Alewood, R J Lewis, T Bond