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[ASAP] Adenosine A2A Receptor (A2AAR) Ligand Screening Using the 19F-NMR Probe FPPA
Jun 06, 2023 - 9:06 PM - by nmrlearner
nmrlearner's Avatar [ASAP] Adenosine A2A Receptor (A2AAR) Ligand Screening Using the 19F-NMR Probe FPPA

Jinfeng Zhang, Dandan Feng, Jianjun Cheng, and Kurt Wu?thrich



Journal of the American Chemical Society
DOI: 10.1021/jacs.3c04218



Source: Journal of the American Chemical Society
0 Replies | 130 Views
Protein serves as a breaking point for cell membrane rupture during cell death - Phys.org
Jun 06, 2023 - 9:06 PM - by nmrlearner
nmrlearner's Avatar Protein serves as a breaking point for cell membrane rupture during cell death - Phys.org

Protein serves as a breaking point for cell membrane rupture during cell death Phys.org Read here
0 Replies | 158 Views
The Role of Artificial Intelligence in Decoding Protein Structures - Down to Game
Jun 06, 2023 - 9:06 PM - by nmrlearner
nmrlearner's Avatar The Role of Artificial Intelligence in Decoding Protein Structures - Down to Game

The Role of Artificial Intelligence in Decoding Protein Structures Down to Game Read here
0 Replies | 172 Views
Membrane protein isolation and structure determination in cell ... - pnas.org
Jun 06, 2023 - 9:06 PM - by nmrlearner
nmrlearner's Avatar Membrane protein isolation and structure determination in cell ... - pnas.org

Membrane protein isolation and structure determination in cell ... pnas.org Read here
0 Replies | 158 Views
[NMR paper] Solution Structure Ensembles of the Open and Closed Forms of the ~130 kDa Enzyme I via AlphaFold Modeling, Coarse Grained Simulations, and NMR
Jun 06, 2023 - 9:06 PM - by nmrlearner
nmrlearner's Avatar Solution Structure Ensembles of the Open and Closed Forms of the ~130 kDa Enzyme I via AlphaFold Modeling, Coarse Grained Simulations, and NMR

Large-scale interdomain rearrangements are essential to protein function, governing the activity of large enzymes and molecular machineries. Yet, obtaining an atomic-resolution understanding of how the relative domain positioning is affected by external stimuli is a hard task in modern structural biology. Here, we show that combining structural modeling by AlphaFold2 with coarse-grained molecular dynamics simulations and NMR residual dipolar coupling data is sufficient to characterize the...

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0 Replies | 124 Views
[NMR paper] Adenosine A2A Receptor (A2AAR) Ligand Screening Using the 19F-NMR Probe FPPA
Jun 06, 2023 - 9:06 PM - by nmrlearner
nmrlearner's Avatar Adenosine A2A Receptor (A2AAR) Ligand Screening Using the 19F-NMR Probe FPPA

The binding affinity of G protein-coupled receptor (GPCR) ligands is customarily measured by radio-ligand competition experiments. As an alternative approach, ^(19)F nuclear magnetic resonance spectroscopy (^(19)F-NMR) is used for the screening of small-molecule lead compounds in drug discovery; the two methods are complementary in that the measurements are performed with widely different experimental conditions. Here, we used the structure of the A(2A) adenosine receptor (A(2A)AR) complex with...

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0 Replies | 111 Views
[NMR paper] Combining Solid-State NMR with Structural and Biophysical Techniques to Design Challenging Protein-Drug Conjugates
Jun 06, 2023 - 9:06 PM - by nmrlearner
nmrlearner's Avatar Combining Solid-State NMR with Structural and Biophysical Techniques to Design Challenging Protein-Drug Conjugates

Several protein-drug conjugates are currently being used in cancer therapy. These conjugates rely on cytotoxic organic compounds that are covalently attached to the carrier proteins or that interact with them via non-covalent interactions. Human transthyretin (TTR), a physiological protein, has already been identified as a possible carrier protein for the delivery of cytotoxic drugs. Here we show the structure-guided development of a new stable cytotoxic molecule based on a known strong binder...

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0 Replies | 112 Views
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