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Search Publications by: Alexander Grishaev (Fed)

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Displaying 1 - 22 of 22

A Round-Robin Approach Provides a Detailed Assessment of Biomolecular Small-Angle Scattering Data Reproducibility and Yields Consensus Curves for Benchmarking.

November 1, 2022
Jill Trewhella, Patrice Vachette, Jan Bierma, Clement Blanchet, Emre Brookes, Srinivas Chakravarthy, Leonie Chatzimagas, Thomas Cleveland, Nathan Cowieson, Ben Crossett, Anthony P. Duff, Daniel Franke, Frank Gabel, Richard E. Gillilan, Melissa Graewert, Alexander Grishaev, Jules M. Guss, Michal Hammel, Jesse Hopkins, Qingqui Huang, Jochen S. Hub, Gregory L. Hura, Thomas C. Irving, Cy M. Jeffries, Cheol Jeong, Nigel Kirby, Susan N. Krueger, Anne Martel, Tsutomu Matsui, Na Li, Javier Perez, Lionel Porcar, Thierry Prange, Ivan Rajkovic, Mattia Rocco, Daniel J. Rosenberg, Timothy M. Ryan, Soenke Seifert, Hiroshi Sekiguchi, Dmitri Svergun, Susana C. Marujo Teixeira, Aurelien Thureau, Thomas M. Weiss, Andrew Whitten, Kathleen Wood, Xiaobing Zuo
Small-Angle Scattering (SAS) data from 5 candidate proteins (RNaseA, lysozyme, xylanase, urate oxidase and xylose isomerase) were measured on 12 Small-Angle X-ray Scattering (SAXS) and 4 Small-Angle Neutron Scattering (SANS) instruments. In total, more

Ionization and Structural Properties of mRNA Lipid Nanoparticles that Influence Expression in Intramuscular and Intravascular Administration

August 11, 2021
Manuel Carrasco, Suman Alishetty, Mohamad-Gabriel Alameh, Hooda Said, Lacey Wright, Mikell Paige, Ousamah Soliman, Drew Weissman, Thomas Cleveland, Alexander Grishaev, Michael Buschmann
Lipid Nanoparticles (LNPs) are used to deliver siRNA and COVID-19 mRNA vaccines. The main factor known to determine their delivery efficiency is the pKa of the LNP containing an ionizable lipid. Herein, we report a method that can predict the LNP pKa from

Structural Characterization and Modeling of a Respiratory Syncytial Virus Fusion Glycoprotein Nanoparticle Vaccine in Solution

January 4, 2021
Susan T. Krueger, Joseph E. Curtis, Daniel R. Scott, Alexander Grishaev, Greg Glenn, Gale Smith, Larry Ellingsworth, Oleg Borisov, Ernest Maynard
Globally, respiratory syncytial virus (RSV)is a major cause of sever lower respiratory tract infection in young children, older adults, and immune compromised populations, for which there are no licensed vaccines. The RSV fusion (F)/polysorbate 80 (PS80)

HIV-1 gp120-CD4-Induced Antibody Complex Elicits CD4 Binding Site-Specific Antibody Response in Mice

February 17, 2020
Andrey Galkin, Yajing Chen, Sijy O'Dell, Roderico Acevedo, James Steinhardt, Yimeng Wang, Richard Wilson, Chi-I Chiang, Alexander Grishaev, John Mascola, Yuxing Li
Elicitation of broadly neutralizing Ab (bNAb) responses toward the conserved HIV-1 envelope (Env) CD4 binding site (CD4bs) by vaccination is an important goal for vaccine development and yet to be achieved. The outcome of previous immunogenicity studies

Structure of the cell-binding component of the Clostridium difficile binary toxin reveals a di- heptamer macromolecular assembly

January 14, 2020
Xingjian Xu, Raquel Ruiz, Kaylin Adipietro, Christopher Peralta, Danya Ben-Hail, Kristen Varney, Mary Cook, Braden Roth, Paul Wilder, Thomas Cleveland, Alexander Grishaev, Heather Neu, Sarah Michel, Wenbo Yu, Dorothy Beckett, Richard Rustandi, Alex MacKerell, Amedee des Georges, Edwin Pozharski, David Weber
Targeting Clostridium difficile infection is challenging because treatment options are limited, and high recurrence rates are common. One reason for this is that hypervirulent C. difficile strains often have a binary toxin termed the C. difficile toxin, in

Structural and Dynamical Order of a Disordered Protein: Molecular Insights into Conformational Switching of PAGE4 at the Systems Level

February 1, 2019
Xingcheng Ling, Prakash Kulkarni, Federico Bocci, Nicholas Schafer, Susmita Roy, Min-Yeh Tsai, Yanan He, Yihong Chen, Krithika Rajagopalan, Steven Mooney, Yu Zeng, Keith Weninger, Alexander Grishaev, Jose Onuchic, Herbert Levine, Peter Wolynes, Govindan Rangarajan, Vladimir Uversky, John Orban, Mohit Jolly
Folded proteins show a high degree of structural order and undergo (fairly constrained) collective motions related to their functions. On the other hand, intrinsically disordered proteins (IDPs), while lacking a well-defined three-dimensional structure, do

Comment on "Innovative scattering analysis shows that hydrophobic disordered proteins are expanded in water"

August 30, 2018
Robert Best, Alessandro Borgia, Wenwei Zheng, Karin Buholzer, Madeleine Borgia, Hagen Hofmann, Daniel Nettels, Klaus Gast, Alexander Grishaev, Benjamin Schuler
The degree of compaction inferred from SAXS experiments by Riback et al. for unfolded proteins in water versus chemical denaturant is highly consistent with the results from FRET experiments. There is thus no "contradiction" between the two methods, nor

PAGE4 and Conformational Switching: Insights from Molecular Dynamics Simulations and Implications for Prostate Cancer

August 2, 2018
Alexander Grishaev, Xingcheng Lin, Mohit Jolly, Federico Bocci, Nicholas Schafer, Min-Yeh Tsai, Yihong Chen, Yanan He, Keith Weninger, John Orban, Prakash Kulkarni, Govindan Rangarajan, Herbert Levine, Jose Onuchic
Prostate-Associated Gene 4 (PAGE4) is a disordered protein implicated in the progression of prostate cancer. PAGE4 can be phosphorylated at two residue sites by Homeodomain-Interacting Protein Kinase 1 (HIPK1) to facilitate its binding to the Activator

A trapped human PPM1A-phosphopeptide complex reveals structural features critical for regulation of PPM protein phosphatase activity

May 24, 2018
Subrata Debnath, Dalibor Kosek, Harichandra Tagad, Stewart R. Durell, Daniel Appella, Roderico Acevedo, Alexander Grishaev, Fred Dyda, Ettore Appella, Sharlyn Mazur
Metal-dependent protein phosphatases (PPM) are evolutionarily unrelated to other serine/threonine protein phosphatases and are characterized by their requirement for supplementation with millimolar concentrations of Mg2+ or Mn2+ ions for activity in vitro

Hybrid Applications of Solution Scattering to Aid Structural Biology

November 19, 2017
Alexander Grishaev
Biomolecular applications of solution X-ray and neutron scattering (SAXS and SANS, respectively) started in late 1960s – early 1970s but were relatively limited in their ability to provide a detailed structural picture and lagged behind what became the two

Consistent View of Polypeptide Chain Expansion in Chemical Denaturants from Multiple Experimental Methods

September 13, 2017
Alessandro Borgia, Wenwei Zheng, Karin Buholzer, Madeleine Borgia, Anja Schuler, Hagen Hoffman, Andrea Sorrano, Daniel Nettels, Klaus Gast, Alexander Grishaev, Robert Best, Benjamin Schuler
There has been a long-standing controversy regarding the effect of chemical denaturants on the dimensions of unfolded and intrinsically disordered proteins: A wide range of experimental techniques suggest that polypeptide chains expand with increasing

Phosphorylation-induced conformational dynamics in an intrinsically disordered protein and potential role in phenotypic heterogeneity

June 2, 2017
Prakash Kulkarni, Mohit Jolly, Dongya Jia, Steven Mooney, Ajay Bhargava, Luciane Kagohara, Yihong Chen, Pengyu Hao, Yanan He, Roberft Veltri, Alexander Grishaev, Keith Weninger, Herbert Levine, John Orban
Intrinsically disordered proteins (IDPs) that lack a unique 3D structure and comprise a large fraction of the human proteome play important roles in numerous cellular functions. Prostate- Associated Gene 4 (PAGE4) is an IDP that acts as a potentiator of