Ligand-induced proton transfer and low-barrier hydrogen bond revealed by X-ray crystallography (original) (raw)
Neutron and X-ray Crystal Structures of a Perdeuterated Enzyme Inhibitor Complex Reveal the Catalytic Proton Network of the Toho-1 β-Lactamase for the Acylation Reaction
Robert Standaert
Journal of Biological Chemistry, 2012
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An Ultrahigh Resolution Structure of TEM-1 β-Lactamase Suggests a Role for Glu166 as the General Base in Acylation
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An ultrahigh resolution structure of TEM-1 beta-lactamase suggests a role for Glu166 as the general base in acylation
George Minasov
Journal of the American Chemical Society, 2002
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High-Resolution X-ray Structure of an Acyl-Enzyme Species for the Class D OXA-10 β-Lactamase
Laurent Maveyraud
Journal of the American Chemical Society, 2002
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Identification of proton transfer pathways in the X-ray crystal structure of the bacterial reaction center from Rhodobacter sphaeroides
Timothy McPhillips
1998
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Joint neutron crystallographic and NMR solution studies of Tyr residue ionization and hydrogen bonding: Implications for enzyme-mediated proton transfer
Ryszard Michalczyk
Proceedings of the National Academy of Sciences of the United States of America, 2015
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Victoria Drago
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Crystal Structure of an Acylation Transition-State Analog of the TEM-1 β-Lactamase. Mechanistic Implications for Class A β-Lactamases †
Laurent Maveyraud
Biochemistry, 1998
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Crystal structure of the E166A mutant of extended-spectrum β-lactamase toho-1 at 1.8 Å resolution
Michiko Konno
Journal of Molecular Biology, 1999
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The importance of a critical protonation state and the fate of the catalytic steps in class A β-lactamases and penicillin-binding proteins
Timothy Stemmler
2004
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Probing the Energetic and Structural Role of Amino Acid/Nucleobase Cation-pi Interactions in Protein-Ligand Complexes
Eric Buisine
Journal of Biological Chemistry, 2002
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The Importance of a Critical Protonation State and the Fate of the Catalytic Steps in Class A -Lactamases and Penicillin-binding Proteins
Timothy Stemmler
Journal of Biological Chemistry, 2004
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The Relationship between Enzyme Conformational Change, Proton Transfer, and Phosphoryl Transfer in β-Phosphoglucomutase
Paul Popelier
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Structure-Based Design of an Intramolecular Proton Transfer Site in Murine Carbonic Anhydrase V
Ann Boriack-Sjodin
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Proton Transfers in Enzyme and Ribozyme Active Sites
James T. Hynes
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Proton transfer via a transient linear water-molecule chain in a membrane protein
Klaus Gerwert
Proceedings of the National Academy of Sciences, 2011
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Ultra-High Resolution X-Ray Diffraction From Crystals Of The Kinetic Mutant Of Human Carbonic Anhydrase Ii, His 64 Ala, And Its Complexes With Proton Acceptor Donors
David Duda
Protein & Peptide Letters, 2001
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Using the water signal to detect invisible exchanging protons in the catalytic triad of a serine protease
Carolyn Lauzon
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Investigation of the acylation mechanism of class C beta-lactamase: pKa calculation, molecular dynamics simulation and quantum mechanical calculation
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Insights into the Acylation Mechanism of Class A β-Lactamases from Molecular Dynamics Simulations of the TEM1 Enzyme Complexed with Benzylpenicillin
Natalia Diaz
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Proton transfer pathways in the mutant His-64–Ala of human carbonic anhydrase II
S. Taraphder
Biopolymers, 2006
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Atomic Crystal and Molecular Dynamics Simulation Structures of Human Carbonic Anhydrase II: Insights into the Proton Transfer Mechanism † , ‡
Chingkuang Tu
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Crystal structure ofEscherichia coli TEM1 β-lactamase at 1.8 Å resolution
christian jelsch
Proteins: Structure, Function, and Genetics, 1993
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Charge redistribution in proteins via linear hydrogen-bond chains
Alex P Korn
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X-ray Structure of a Serine Protease Acyl-Enzyme Complex at 0.95-A Resolution
Gergely Katona
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A pragmatic approach to structure based calculation of coupled proton and electron transfer in proteins
Emil Alexov
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Grace DeSantis
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Menachem Gutman
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Protonation of the beta -lactam nitrogen is the trigger event in the catalytic action of class A beta -lactamases
Boris Atanasov
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Covalent docking and molecular dynamics simulations reveal the specificity-shifting mutations Ala237Arg and Ala237Lys in TEM beta-lactamase
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PLOS Computational Biology, 2022
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Structural Insight into the Kinetics and Cp of Interactions between TEM-1 -Lactamase and -Lactamase Inhibitory Protein (BLIP)
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Journal of Biological Chemistry, 2008
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