| Entry ID | Original Release date | Data summary | Entry Title | Citation Title | Authors | 
|---|---|---|---|---|---|
| 52600 | 2025-03-06 | Chemical Shifts: 1 set | chemical shift assignments of a De novo design of protein that bind naphthalenediimides | De Novo Design of Proteins That Bind Naphthalenediimides, Powerful Photooxidants with Tunable Photophysical Properties | Ian Bakanas, James A Wells, Jarrett P Mansergh, Jiaqi Zhu, Mark Kelly, Michael J Therien, Rui Liu, Samuel I Mann, Sophia K Tan, William F DeGrado, Yibing Wu, Zachary Widel, Zhi Lin | 
| 50785 | 2021-05-18 | Chemical Shifts: 1 set | In Vitro Fibrillized 0N3R Tau | Inclusion of the C-Terminal Domain in the beta-Sheet Core of Heparin-Fibrillized Three-Repeat Tau Protein Revealed by Solid-State Nuclear Magnetic Resonance Spectroscopy | Aurelio J Dregni, Haifan Wu, Harrison K Wang, Jia Jin, Mei Hong, Pu Duan, William F DeGrado | 
| 27502 | 2018-07-02 | Chemical Shifts: 1 set | Backbone 1H, 13C, and 15N Chemical Shift Assignments for Histidine Kinase NsaS from S. aureus | Structure and Function of the Transmembrane Domain of NsaS, an Antibiotic Sensing Histidine Kinase in Staphylococcus aureus. | Bruk Mensa, Carol A Gross, Georg Kuenze, Jason M Peters, Jeffrey G Pelton, Jens Meiler, Manasi P Bhate, Nathan Schmidt, Soumya Ganguly, Thomas Lemmin, William F DeGrado | 
| 30320 | 2017-09-28 | Chemical Shifts: 1 set | De Novo Design of Covalently Constrained Meso-size Protein Scaffolds with Unique Tertiary Structures | De novo design of covalently constrained mesosize protein scaffolds with unique tertiary structures | Alexander Ford, Bobo Dang, Daniel-Adriano A Silva, David Baker, Haifan Wu, Marco Mravic, Thomas Lemmin, Vikram Khipple K Mulligan, William F DeGrado, Yibing Wu | 
| 30319 | 2017-09-28 | Chemical Shifts: 1 set | De Novo Design of Covalently Constrained Meso-size Protein Scaffolds with Unique Tertiary Structures | De novo design of covalently constrained mesosize protein scaffolds with unique tertiary structures | Alexander Ford, Bobo Dang, Daniel-Adriano A Silva, David Baker, Haifan Wu, Marco Mravic, Thomas Lemmin, Vikram Khipple K Mulligan, William F DeGrado, Yibing Wu | 
| 30267 | 2017-09-25 | Chemical Shifts: 1 set | De Novo Design of Novel Covalent Constrained Meso-size Peptide Scaffolds with Unique Tertiary Structures | De novo design of covalently constrained mesosize protein scaffolds with unique tertiary structures | Alexander Ford, Bobo Dang, Daniel-Adriano A Silva, David Baker, Haifan Wu, Marco Mravic, Thomas Lemmin, Vikram Khipple K Mulligan, William F DeGrado, Yibing Wu | 
| 30227 | 2017-05-25 | Chemical Shifts: 1 set | Zinc-Binding Structure of a Catalytic Amyloid from Solid-State NMR Spectroscopy | Zinc-binding structure of a catalytic amyloid from solid-state NMR | Haifan Wu, Ivan V Korendovych, Jan Stohr, Mei Hong, Myungwoon Lee, Nicholas F Polizzi, Olga V Makhlynets, Pallavi M Gosavi, Tuo Wang, William F DeGrado, Yibing Wu | 
| 30185 | 2017-08-03 | Chemical Shifts: 1 set Spectral_peak_list: 2 sets | NMR structure of apo-PS1 | De novo design of a hyperstable non-natural protein-ligand complex with sub-angstrom accuracy. | Alison M Maxwell, David N Beratan, Jeff Rawson, Michael J Therien, Nicholas F Polizzi, Shao-Qing Q Zhang, Thomas Lemmin, William F DeGrado, Yibing Wu | 
| 30186 | 2017-08-03 | Chemical Shifts: 1 set Spectral_peak_list: 1 set | NMR structure of holo-PS1 | De novo design of a hyperstable non-natural protein-ligand complex with sub-angstrom accuracy. | Alison M Maxwell, David N Beratan, Jeff Rawson, Michael J Therien, Nicholas F Polizzi, Shao-Qing Q Zhang, Thomas Lemmin, William F DeGrado, Yibing Wu | 
| 25236 | 2014-12-22 | Chemical Shifts: 1 set | ssNMR structure of a designed rocker protein | De novo design of a transmembrane Zn(II) transporting four-helix bundle | Gevorg Grigoryan, Manasi P Bhate, Mei Hong, Michael Grabe, Nathan H Joh, Rudresh Acharya, Tuo Wang, 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 | 
| 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 | 
| 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 | 
| 17751 | 2011-08-25 | Chemical Shifts: 1 set | Solution structure of Diiron protein in presence of 8 eq Zn2+, Northeast Structural Genomics consortium target OR21 | Solution structure of Diiron protein in presence of 8 eq Zn2+ | Amanda Reig, Jeffrey Mills, Macros Pires, Thomas Szyperski, Walter Englander, William DeGrado, Yibing Wu | 
| 17749 | 2011-08-25 | Chemical Shifts: 1 set | Solution NMR structure of Diiron protein in presence of 2 eq Zn2+, Northeast Structural Genomics Consortium Target OR21 | Solution NMR structure of Diiron protein in presence of 2 eq Zn2+ | Amanda Reig, Jeffrey Mills, Marcos Pires, Thomas Szyperski, William DeGrado, Yibing Wu | 
| 16994 | 2011-06-01 | Chemical Shifts: 1 set Spectral_peak_list: 1 set | Calmodulin, C-terminal domain, F92E mutant | Design of a switchable eliminase. | Daniel W Kulp, Heinrich Roder, Hong Cheng, Ivan V Korendovych, William F Degrado, Yibing Wu | 
| 16771 | 2011-05-19 | Chemical Shifts: 1 set | Integrin beta3 subunit in a disulfide linked alphaIIb-beta3 cytosolic domain | NMR analysis of the alphaIIb beta3 cytoplasmic interaction suggests a mechanism for integrin regulation. | A Joshua Wand, David T Moore, Douglas G Metcalf, Joel S Bennett, Joseph M Kielec, Kathleen G Valentine, Kathleen Molnar, William F DeGrado, Yibing Wu | 
| 16612 | 2010-02-08 | Chemical Shifts: 1 set | Solid-state NMR structure of the M2 transmembrane peptide of the influenza A virus in DMPC lipid bilayers bound to deuterated amantadine | Structure of the amantadine binding site of influenza M2 proton channels in lipid bilayers. | Cinque S Soto, Jun Wang, Klaus Schmidt-Rohr, Mei Hong, Sarah D Cady, William F Degrado | 
| 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 | 
| 4347 | 2008-07-17 | Chemical Shifts: 1 set Coupling Constants: 1 set | 1H Chemical Shift Assignments and Interproton 3JHNHA Coupling Constants of Alpha2-D, a Nativelike de Novo Designed Four Helix Bundle | Solution Structure of Alpha2D, a Nativelike de Novo Designed Protein | R Blake Hill, William F DeGrado | 
| 4126 | 2001-02-27 | Chemical Shifts: 1 set | Solution Structure and Dynamics of a De Novo Designed Three-helix Bundle Protein | Solution Structure and Dynamics of a De Novo Designed Three-helix Bundle Protein | Heinrich Roder, Hong Cheng, James W Bryson, Scott TR Walsh, William F DeGrado |