Molecular basis for high-affinity agonist binding in GPCRs
T Warne, PC Edwards, AS Doré, AGW Leslie, CG Tate - Science, 2019 - science.org
… Four crystal structures with overall resolutions between 3.0 and 3.2 Å (table S1) were
determined of β 1 AR bound to either Nb80 or Nb6B9, and the overall structures were virtually …
determined of β 1 AR bound to either Nb80 or Nb6B9, and the overall structures were virtually …
Crystal structure of the 2019-nCoV spike receptor-binding domain bound with the ACE2 receptor
J Lan, J Ge, J Yu, S Shan, H Zhou, S Fan, Q Zhang… - BioRxiv, 2020 - biorxiv.org
… To better understand the initial step of infection at atomic-level, we determined the crystal
structure of the 2019-nCoV spike receptor-binding domain (RBD) bound with the cell receptor …
structure of the 2019-nCoV spike receptor-binding domain (RBD) bound with the cell receptor …
Improved protein–ligand binding affinity prediction with structure-based deep fusion inference
… We use temporal and structure-based splits to assess … in cases that assume that the crystal
structure is not available. In these … We evaluate our approach on the crystal structure and …
structure is not available. In these … We evaluate our approach on the crystal structure and …
Structural determinants of affinity and selectivity in the binding of inhibitors to histone deacetylase 6
JD Osko, DW Christianson - Bioorganic & medicinal chemistry letters, 2020 - Elsevier
… the crystal structures of human and zebrafish HDAC6 catalytic domains were first reported,3,
4 more than 50 X-ray crystal structures … to the high affinity of hydroxamate-bearing inhibitors. …
4 more than 50 X-ray crystal structures … to the high affinity of hydroxamate-bearing inhibitors. …
[HTML][HTML] Designing of improved drugs for COVID-19: Crystal structure of SARS-CoV-2 main protease Mpro
… linkage with high affinity to the target 3 . Hilgenfeld’s group reported earlier that a structure-…
and enteroviruses as demonstrated by crystal structure of inhibitor-protease complex 4 . The …
and enteroviruses as demonstrated by crystal structure of inhibitor-protease complex 4 . The …
[HTML][HTML] Crystal structure of the human cannabinoid receptor CB2
X Li, T Hua, K Vemuri, JH Ho, Y Wu, L Wu, P Popov… - Cell, 2019 - cell.com
… crystal structure of human CB2 in complex with a rationally designed antagonist, AM10257,
at 2.8 Å resolution. The CB2-AM10257 structure … AM10257 shows a high affinity (inhibition …
at 2.8 Å resolution. The CB2-AM10257 structure … AM10257 shows a high affinity (inhibition …
[HTML][HTML] Structure analysis of the receptor binding of 2019-nCoV
Y Chen, Y Guo, Y Pan, ZJ Zhao - Biochemical and biophysical research …, 2020 - Elsevier
… structure of spike glycoprotein RBD of 2019-nCoV and identified a unique feature that potentially
allows a high affinity … -model based on the co-crystal structure of human ACE2 with the …
allows a high affinity … -model based on the co-crystal structure of human ACE2 with the …
Synthesis, crystal structure, and optical properties of fluorinated poly (pyrazole) ligands and in silico assessment of their affinity for volatile organic compounds
… their crystal structure, we have undertaken an in-depth spectroscopic characterization,
demonstrating that they conserve the high … fluorescent MOFs endowed with high affinity for VOCs. …
demonstrating that they conserve the high … fluorescent MOFs endowed with high affinity for VOCs. …
Crystal structures, dissolution and pharmacokinetic study on a novel phosphodiesterase-4 inhibitor chlorbipram cocrystals
J Zhou, L Li, H Zhang, J Xu, D Huang, N Gong… - International journal of …, 2020 - Elsevier
… ChBP-SA shows a higher affinity to water vapor (2.67%) than ChBP-GA (0.88%). ChBP shows
the lowest sorption and desorption behavior (0.27%) to water vapor. The reason is that the …
the lowest sorption and desorption behavior (0.27%) to water vapor. The reason is that the …
[HTML][HTML] Therapeutic high affinity T cell receptor targeting a KRASG12D cancer neoantigen
A Poole, V Karuppiah, A Hartt, JN Haidar… - Nature …, 2022 - nature.com
… of affinity enhancement, we solved the crystal structure of JDI TCR-HLA-A*11-KRAS G12D
complex at 3.41 Å resolution (PDB 7PB2). The conformation of KRAS G12D peptide was …
complex at 3.41 Å resolution (PDB 7PB2). The conformation of KRAS G12D peptide was …
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