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Entry ID	Original Release date	Data summary	Entry Title	Citation Title	Authors
31130	2024-09-18	Chemical Shifts: 1 set	Solution NMR structure of recifin A [Y6F]	Picking the tyrosine-lock: chemical synthesis of the tyrosyl-DNA phosphodiesterase I inhibitor recifin A and analogues	Barry R O'Keefe, Christina I Schroeder, Colton D Payne, K Johan J Rosengren, Lauren Krumpe, Richard J Clark, Taylor B Smallwood, Victoria G Klein
34785	2023-03-01	Chemical Shifts: 1 set	SH3 domain solved by the exact solid-state method from the Bruker Dynamics Center using the combined correction method with PDB 2NUZ	Integrated Assessment of the Structure and Dynamics of Solid Proteins.	A Klein, B Soldner, J Auch, K Grohe, L V Schafer, P Neidig, R Linser, S Blach, S K Vasa
31040	2023-05-02	Chemical Shifts: 1 set	Solution structure of the WH domain of MORF	Structure of MORF-WH	B Klein, T G Kutateladze, Y Zhang
51228	2022-02-22	Chemical Shifts: 1 set	Sidechain chemical shift assignments of fully protonated SH3 of chicken alpha-spectrin through 5D and 4D experiments	Unambiguous Side-Chain Assignments for Solid-State NMR Structure Elucidation of Nondeuterated Proteins via a Combined 5D/4D Side-Chain-to-Backbone Experiment	Alexander Klein, Benedikt Soldner, Kristof Grohe, Rasmus Linser, Suresh K Vasa
51166	2022-01-06	Chemical Shifts: 1 set	Solid-state NMR assignments of tryptophan synthase of S. typhimurium	Atomic-Resolution Chemical Characterization of (2x)72 kDa Tryptophan Synthase via four- and five-dimensional 1H-Detected Solid-State NMR	Alexander Klein, Jacob Holmes, Laura Kukuk, Leonard J Mueller, Patricia Skowronek, Peter Guntert, Petra Rovo, Rasmus Linser, Suresh K Vasa, Varun V Sakhrani, Viktoriia Liu, Yangyang Wang
50512	2021-06-30	Chemical Shifts: 1 set	Backbone chemical shifts assignments of PLEKHA7	Structural basis for the association of PLEKHA7 with membrane-embedded phosphatidylinositol lipids.	Alexander E Aleshin, Amer Iftikhar, Andrey A Bobkov, Chuqiao Dong, Francesca M Marassi, Garth Powis, Gregory Cadwell, Jinghua Yu, Laurie A Bankston, Michael G Klein, Robert C Liddington, Wonpil Im, Yong Yao
30774	2020-08-31	Chemical Shifts: 1 set	NMR structure of the cNTnC-cTnI chimera bound to calcium desensitizer W7	The Role of Electrostatics in the Mechanism of Cardiac Thin Filament Based Sensitizers.	B A Klein, B D Sykes, F Cai, I M Robertson, T Kampourakis
34420	2020-08-06	Chemical Shifts: 1 set	SH3-subunit of chicken alpha spectrin solved by NMR	Protein Motional Details Revealed by Complementary Structural Biology Techniques	A Klein, B Voegeli, C Hebrank, H Singh, K Grohe, L Shaefer, P Rovo, R Linser, S K Vasa, S Medina, S Patel
30585	2019-05-17	Chemical Shifts: 1 set	Solution structure of MLL4 PHD6 domain in complex with histone H4K16ac peptide	Selective binding of the PHD6 finger of MLL4 to histone H4K16ac links MLL4 and MOF	B D Strahl, B J Klein, E M Cornett, J E Lee, J W Ahn, K Ge, K Krajewski, L Xu, M R Holden, R G Roeder, S B Rothbart, S P Wang, T G Kutateladze, X Shi, Y Dou, Y Jang, Y Zhang
30177	2016-10-07	Chemical Shifts: 1 set	Solution NMR structure of PHF20 PHD domain in complex with a histone H3K4me2 peptide	PHF20 Readers Link Methylation of Histone H3K4 and p53 with H4K16 Acetylation	Brianna J Klein, Chao Yuan, Christiane J Bruns, Gaofeng Cui, Georges Mer, Kevin Lin, Maria Victoria V Botuyan, Tatiana G Kutateladze, Xiaobing Shi, Xiaolu Wang, Xiaoyan Wang, Yue Lu, Yue Zhao
25234	2014-12-22	Chemical Shifts: 1 set	NOE-based model of the influenza A virus M2 (19-49) bound to drug 11	Flipping in the Pore: Discovery of Dual Inhibitors that Bind in Different Orientations to the Wild-Type versus the Amantadine-Resistant S31N Mutant of the Influenza A Virus M2 Proton Channel	Belgin Canturk, Chunlong Ma, Eleonora Gianti, Giacomo Fiorin, Hyunil Jo, Jun Wang, Lawrence H Pinto, Michael L Klein, Robert A Lamb, William F DeGrado, Yibing Wu
25233	2014-12-22	Chemical Shifts: 1 set	NOE-based model of the influenza A virus S31N mutant (19-49) bound to drug 11	Flipping in the Pore: Discovery of Dual Inhibitors that Bind in Different Orientations to the Wild-Type versus the Amantadine-Resistant S31N Mutant of the Influenza A Virus M2 Proton Channel	Belgin Canturk, Chunlong Ma, Eleonora Gianti, Giacomo Fiorin, Hyunil Jo, Jun Wang, Lawrence H Pinto, Michael L Klein, Robert A Lamb, William F DeGrado, Yibing Wu
18706	2013-01-07	Chemical Shifts: 1 set	Solution NMR structure of the influenza A virus S31N mutant (19-49) in presence of drug M2WJ332	Structure and inhibition of the drug-resistant S31N mutant of the M2 ion channel of influenza A virus.	Chunlong Ma, Giacomo Fiorin, Jizhou Wang, Jun Wang, Lawrence H Pinto, Michael L Klein, Robert A Lamb, William F Degrado, Yibing Wu
18618	2013-07-29	Chemical Shifts: 1 set	Structural model of BAD-1 repeat loop by NMR	Structure and function of a fungal adhesin that binds heparin and mimics thrombospondin-1 by blocking T cell activation and effector function.	Bruce Klein, Darrell R McCaslin, Hanna Filutowicz, Kenneth Satyshur, Kevin Galles, Marcel Wuthrich, Marco Tonelli, Rene Roy, Som Nanjappa, T Tristan Brandhorst
7247	2008-08-13	Chemical Shifts: 1 set Coupling Constants: 1 set	Solution structure of a single chain diiron protein model	Solution NMR Structure of a Designed Metalloprotein and Complementary Molecular Dynamics Refinement	A Joshua Wand, Jennifer R Calhoun, Kathleen G Valentine, Katrin Spiegel, Matteo Dal Peraro, Michael L Klein, Weixia Liu, William F DeGrado
5988	2005-11-07	Chemical Shifts: 2 sets	1H Chemical Shift Assignments of alpha-bungarotoxin/nicotinic acetilcholine receptor mimotope complex	NMR and MD studies on the interaction between ligand peptides and alpha-bungarotoxin	Andrea Bernini, Arianna Ciutti, Barbara Lelli, Chiara Falciani, Luisa Bracci, Luisa Lozzi, Maria Scarselli, Neri Niccolai, Ottavia Spiga, Paolo Neri, S Klein, S Vannetti
5700	2003-03-21	Chemical Shifts: 1 set	Backbone 1H, 13C and 15N resonance assignments for the 25.8 kDa DNA binding domain of the human p63 protein	Backbone 1H, 13C and 15N resonance assignments for the 25.8 kDa DNA binding domain of the human p63 protein	Alexander Dehner, Andreas Enthart, Angelika Kuhlewein, Christian Klein, Gerd Gemmecker, Horst Kessler, Julien Furrer, Manfred Schwaiger, Silke Hansen
5006	2001-05-11	Chemical Shifts: 1 set	1H Chemical Shift Assignments for alpha-Bungarotoxin	NMR Structure of Alpha-bungarotoxin free and bound to a Mimotope of the Nicotinic Acetylcholine Receptor	Andrea Bernini, Arianna Ciutti, Barbara Lelli, Daniela Di Maro, Duccio Calamandrei, Luisa Bracci, Luisa Lozzi, Maria Scarselli, Neri Niccolai, Ottavia Spiga, Samuel Klein
4948	2003-10-30	Chemical Shifts: 2 sets	1H Chemical Shift Assignments of a-bungarotoxin/ nicotinic acetilcholine receptor mimotope complex	NMR Structure of Alpha-bungarotoxin free and bound to a Mimotope of the Nicotinic Acetylcholine Receptor.	A Bernini, A Ciutti, B Lelli, D Calamandrei, D Di Maro, L Bracci, L Lozzi, M Scarselli, N Niccolai, O Spiga, S Klein
4892	2001-04-27	Chemical Shifts: 1 set	1H, 13C, and 15N Chemical Shift Assignments for apo-Mts1 (S100A4)	Letter to the Editor: 1H, 13C and 15N NMR sequence-specific resonance assignments for human apo-Mts1 (S100A4)	Anne R Bresnick, David J Weber, Kristen M Vallely, Michael G Klein, Olga Varlamova, Richard R Rustandi, Steven C Almo
4859	2002-04-04	Chemical Shifts: 1 set	HIGH RESOLUTION SOLUTION STRUCTURE OF THE PROTEIN PART OF CU7 METALLOTHIONEIN	High Resolution Solution Structure of the Protein Part of Cu7 Metallothionein	C Luchinat, G Liu, H J Hartmann, I Bertini, T Klein, U Weser
4559	2000-10-06	Chemical Shifts: 1 set	The NMR structure of the nucleocapsid protein from the mouse mammary tumor virus reveals unusual folding of the C-terminal zinc knuckle	The NMR structure of the nucleocapsid protein from the mouse mammary tumor virus reveals unusual folding of the C-terminal zinc knuckle	Daniel J Klein, Eric S Zollars, Michael F Summers, Philip E Johnson, Roberto N De Guzman