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Mechanism of differential Zika and dengue virus neutralization by a public antibody lineage targeting the DIII lateral ridge.
Zhao H, Xu L, Bombardi R, Nargi R, Deng Z, Errico JM, Nelson CA, Dowd KA, Pierson TC, Crowe JE, Diamond MS, Fremont DH
(2020) J Exp Med 217:
MeSH Terms: Aedes, Animals, Antibodies, Monoclonal, Antibodies, Neutralizing, Antibodies, Viral, Cell Line, Tumor, Chlorocebus aethiops, Cross Reactions, Crystallography, X-Ray, Dengue, Dengue Virus, Epitopes, HEK293 Cells, Humans, Hydrogen Bonding, Immunoglobulin Fab Fragments, Protein Binding, Protein Conformation, Protein Domains, Vero Cells, Viral Envelope Proteins, Zika Virus, Zika Virus Infection
Added March 31, 2020
0 Communities
1 Members
0 Resources
23 MeSH Terms
Upgraded molecular models of the human KCNQ1 potassium channel.
Kuenze G, Duran AM, Woods H, Brewer KR, McDonald EF, Vanoye CG, George AL, Sanders CR, Meiler J
(2019) PLoS One 14: e0220415
MeSH Terms: Humans, Hydrogen Bonding, KCNQ1 Potassium Channel, Lipids, Loss of Function Mutation, Models, Molecular, Molecular Docking Simulation, Molecular Dynamics Simulation, Protein Binding, Protein Conformation, Structure-Activity Relationship
Added March 21, 2020
0 Communities
1 Members
0 Resources
MeSH Terms
Potent anti-influenza H7 human monoclonal antibody induces separation of hemagglutinin receptor-binding head domains.
Turner HL, Pallesen J, Lang S, Bangaru S, Urata S, Li S, Cottrell CA, Bowman CA, Crowe JE, Wilson IA, Ward AB
(2019) PLoS Biol 17: e3000139
MeSH Terms: Amino Acid Sequence, Animals, Antibodies, Neutralizing, Antibody Specificity, Baculoviridae, Binding Sites, Cloning, Molecular, Cryoelectron Microscopy, Gene Expression, Hemagglutinin Glycoproteins, Influenza Virus, Hydrogen Bonding, Immunoglobulin Fab Fragments, Influenza A virus, Molecular Docking Simulation, Protein Binding, Protein Conformation, alpha-Helical, Protein Conformation, beta-Strand, Protein Interaction Domains and Motifs, Recombinant Proteins, Sequence Alignment, Sequence Homology, Amino Acid, Sf9 Cells, Spodoptera
Added March 31, 2019
0 Communities
1 Members
0 Resources
23 MeSH Terms
Novel M positive allosteric modulators derived from questioning the role and impact of a presumed intramolecular hydrogen-bonding motif in β-amino carboxamide-harboring ligands.
Poslusney MS, Salovich JM, Wood MR, Melancon BJ, Bollinger KA, Luscombe VB, Rodriguez AL, Engers DW, Bridges TM, Niswender CM, Conn PJ, Lindsley CW
(2019) Bioorg Med Chem Lett 29: 362-366
MeSH Terms: Allosteric Regulation, Amides, Dose-Response Relationship, Drug, Humans, Hydrogen Bonding, Ligands, Molecular Structure, Receptor, Muscarinic M4, Structure-Activity Relationship
Added March 3, 2020
0 Communities
1 Members
0 Resources
MeSH Terms
Holistic Approach to Partial Covalent Interactions in Protein Structure Prediction and Design with Rosetta.
Combs SA, Mueller BK, Meiler J
(2018) J Chem Inf Model 58: 1021-1036
MeSH Terms: Crystallography, X-Ray, Databases, Protein, Electrons, Hydrogen Bonding, Models, Molecular, Protein Conformation, Proteins, Rotation
Added March 21, 2020
0 Communities
1 Members
0 Resources
MeSH Terms
Salt-bridge modulates differential calcium-mediated ligand binding to integrin α1- and α2-I domains.
Brown KL, Banerjee S, Feigley A, Abe H, Blackwell TS, Pozzi A, Hudson BG, Zent R
(2018) Sci Rep 8: 2916
MeSH Terms: Amino Acid Sequence, Calcium, Hydrogen Bonding, Integrin alpha1, Integrin alpha2, Ligands, Models, Molecular, Protein Binding, Protein Domains, Thermodynamics
Added March 21, 2018
0 Communities
1 Members
0 Resources
10 MeSH Terms
Kinetic Deuterium Isotope Effects in Cytochrome P450 Reactions.
Guengerich FP
(2017) Methods Enzymol 596: 217-238
MeSH Terms: Biocatalysis, Cytochrome P-450 Enzyme System, Deuterium, Enzyme Assays, Humans, Hydrogen Bonding, Kinetics, Models, Chemical, Oxidation-Reduction, Substrate Specificity
Added March 14, 2018
0 Communities
1 Members
0 Resources
10 MeSH Terms
Optimization of M positive allosteric modulators (PAMs): The discovery of VU0476406, a non-human primate in vivo tool compound for translational pharmacology.
Melancon BJ, Wood MR, Noetzel MJ, Nance KD, Engelberg EM, Han C, Lamsal A, Chang S, Cho HP, Byers FW, Bubser M, Jones CK, Niswender CM, Wood MW, Engers DW, Wu D, Brandon NJ, Duggan ME, Conn PJ, Bridges TM, Lindsley CW
(2017) Bioorg Med Chem Lett 27: 2296-2301
MeSH Terms: Allosteric Regulation, Animals, Crystallography, X-Ray, Drug Discovery, Hydrogen Bonding, Pyridazines, Rats, Structure-Activity Relationship, Thiophenes, Translational Research, Biomedical
Added March 3, 2020
0 Communities
2 Members
0 Resources
10 MeSH Terms
Molecular Basis for Subtype Specificity and High-Affinity Zinc Inhibition in the GluN1-GluN2A NMDA Receptor Amino-Terminal Domain.
Romero-Hernandez A, Simorowski N, Karakas E, Furukawa H
(2016) Neuron 92: 1324-1336
MeSH Terms: 2-Hydroxyphenethylamine, Animals, Binding Sites, Blotting, Western, Crystallography, Hydrogen Bonding, Piperidines, Protein Structure, Quaternary, Receptors, N-Methyl-D-Aspartate, Sf9 Cells, Spodoptera, Xenopus laevis, Zinc
Added April 3, 2018
0 Communities
1 Members
0 Resources
MeSH Terms
Investigating the Structure of Multicomponent Gel-Phase Lipid Bilayers.
Hartkamp R, Moore TC, Iacovella CR, Thompson MA, Bulsara PA, Moore DJ, McCabe C
(2016) Biophys J 111: 813-823
MeSH Terms: Gels, Hydrogen Bonding, Lipid Bilayers, Models, Molecular, Molecular Conformation, Water
Added May 3, 2017
0 Communities
1 Members
0 Resources
6 MeSH Terms