Deciphering the Allosterically Driven Conformational Ensemble in Tryptophan Synthase Evolution von Maria-Solano, Miguel A, Iglesias-Fernández, Javier, Osuna, Sílvia

Volltext

Enzyme Conformation Influences the Performance of Lipase‐powered Nanomotors von Wang, Lei, Marciello, Marzia, Estévez‐Gay, Miquel, Soto Rodriguez, Paul E. D., Luengo Morato, Yurena, Iglesias‐Fernández, Javier, Huang, Xin, Osuna, Sílvia, Filice, Marco, Sánchez, Samuel

Volltext

Hidden Conformations in Aspergillus niger Monoamine Oxidase are Key for Catalytic Efficiency von Curado‐Carballada, Christian, Feixas, Ferran, Iglesias‐Fernández, Javier, Osuna, Sílvia

Volltext

Privateer: software for the conformational validation of carbohydrate structures von Agirre, Jon, Iglesias-Fernández, Javier, Rovira, Carme, Davies, Gideon J, Wilson, Keith S, Cowtan, Kevin D

Volltext

In Silico Identification and Experimental Validation of Distal Activity-Enhancing Mutations in Tryptophan Synthase von Maria-Solano, Miguel A, Kinateder, Thomas, Iglesias-Fernández, Javier, Sterner, Reinhard, Osuna, Sílvia

Volltext

Insights into the molecular determinants of thermal stability in halohydrin dehalogenase HheD2 von Wessel, Julia, Petrillo, Giovanna, Estevez‐Gay, Miquel, Bosch, Sandra, Seeger, Margarita, Dijkman, Willem P., Iglesias‐Fernández, Javier, Hidalgo, Aurelio, Uson, Isabel, Osuna, Sílvia, Schallmey, Anett

Volltext

Substrate-Guided Front-Face Reaction Revealed by Combined Structural Snapshots and Metadynamics for the Polypeptide N-Acetylgalactosaminyltransferase 2 von Lira-Navarrete, Erandi, Iglesias-Fernández, Javier, Zandberg, Wesley F., Compañón, Ismael, Kong, Yun, Corzana, Francisco, Pinto, B. Mario, Clausen, Henrik, Peregrina, Jesús M., Vocadlo, David J., Rovira, Carme, Hurtado-Guerrero, Ramon

Volltext

Exploring the Conversion of a d‐Sialic Acid Aldolase into a l‐KDO Aldolase von Romero‐Rivera, Adrian, Iglesias‐Fernández, Javier, Osuna, Sílvia

Volltext

Multivalent Ligands with Tailor‐Made Anion Binding Motif as Stabilizers of Protein–Protein Interactions von Bartsch, Lina, Bartel, Maria, Gigante, Alba, Iglesias‐Fernández, Javier, Ruiz‐Blanco, Yasser B., Beuck, Christine, Briels, Jeroen, Toetsch, Niklas, Bayer, Peter, Sanchez‐Garcia, Elsa, Ottmann, Christian, Schmuck, Carsten

Volltext

Catalytic Itinerary in 1,3-1,4-β-Glucanase Unraveled by QM/MM Metadynamics. Charge Is Not Yet Fully Developed at the Oxocarbenium Ion-like Transition State von Biarnés, Xevi, Ardèvol, Albert, Iglesias-Fernández, Javier, Planas, Antoni, Rovira, Carme

Volltext

Structural basis of a redox-dependent conformational switch that regulates the stress kinase p38α von Pous, Joan, Baginski, Blazej, Martin-Malpartida, Pau, González, Lorena, Scarpa, Margherita, Aragon, Eric, Ruiz, Lidia, Mees, Rebeca A., Iglesias-Fernández, Javier, Orozco, Modesto, Nebreda, Angel R., Macias, Maria J.

Volltext

Dynamic interplay between catalytic and lectin domains of GalNAc-transferases modulates protein O-glycosylation von Lira-Navarrete, Erandi, de las Rivas, Matilde, Compañón, Ismael, Pallarés, María Carmen, Kong, Yun, Iglesias-Fernández, Javier, Bernardes, Gonçalo J. L., Peregrina, Jesús M., Rovira, Carme, Bernadó, Pau, Bruscolini, Pierpaolo, Clausen, Henrik, Lostao, Anabel, Corzana, Francisco, Hurtado-Guerrero, Ramon

Volltext

Mutational Analysis of Linalool Dehydratase Isomerase Suggests That Alcohol and Alkene Transformations Are Catalyzed Using Noncovalent Mechanisms von Cuetos, Anibal, Iglesias-Fernández, Javier, Danesh-Azari, Hamid-Reza, Zukic, Erna, Dowle, Adam, Osuna, Sílvia, Grogan, Gideon

Volltext

Evidence for a Boat Conformation at the Transition State of GH76 α-1,6-Mannanases-Key Enzymes in Bacterial and Fungal Mannoprotein Metabolism von Thompson, Andrew J., Speciale, Gaetano, Iglesias-Fernández, Javier, Hakki, Zalihe, Belz, Tyson, Cartmell, Alan, Spears, Richard J., Chandler, Emily, Temple, Max J., Stepper, Judith, Gilbert, Harry J., Rovira, Carme, Williams, Spencer J., Davies, Gideon J.

Volltext

Conformational Landscapes of Halohydrin Dehalogenases and Their Accessible Active Site Tunnels von Estévez-Gay, Miquel, Iglesias-Fernández, Javier, Osuna, Sílvia

Volltext

Surfactin at the Water/Air Interface and in Solution von Iglesias-Fernández, Javier, Darré, Leonardo, Kohlmeyer, Axel, Thomas, Robert K, Shen, Hsin-Hui, Domene, Carmen

Volltext

The Reaction Coordinate of a Bacterial GH47 α-Mannosidase: A Combined Quantum Mechanical and Structural Approach von Thompson, Andrew J., Dabin, Jerome, Iglesias-Fernández, Javier, Ardèvol, Albert, Dinev, Zoran, Williams, Spencer J., Bande, Omprakash, Siriwardena, Aloysius, Moreland, Carl, Hu, Ting-Chou, Smith, David K., Gilbert, Harry J., Rovira, Carme, Davies, Gideon J.

Volltext

Combined Inhibitor Free-Energy Landscape and Structural Analysis Reports on the Mannosidase Conformational Coordinate von Williams, Rohan J., Iglesias-Fernández, Javier, Stepper, Judith, Jackson, Adam, Thompson, Andrew J., Lowe, Elisabeth C., White, Jonathan M., Gilbert, Harry J., Rovira, Carme, Davies, Gideon J., Williams, Spencer J.

Volltext

A Single Glycosidase Harnesses Different Pyranoside Ring Transition State Conformations for Hydrolysis of Mannosides and Glucosides von Tankrathok, Anupong, Iglesias-Fernández, Javier, Williams, Rohan J, Pengthaisong, Salila, Baiya, Supaporn, Hakki, Zalihe, Robinson, Robert C, Hrmova, Maria, Rovira, Carme, Williams, Spencer J, Ketudat Cairns, James R

Volltext

A Multiperspective Approach to Solvent Regulation of Enzymatic Activity: HMG‐CoA Reductase von Dirkmann, Michael, Iglesias‐Fernández, Javier, Muñoz, Victor, Sokkar, Pandian, Rumancev, Christoph, von Gundlach, Andreas, Krenczyk, Oktavian, Vöpel, Tobias, Nowack, Julia, Schroer, Martin A., Ebbinghaus, Simon, Herrmann, Christian, Rosenhahn, Axel, Sanchez‐Garcia, Elsa, Schulz, Frank

Volltext