Quantum mechanical/molecular mechanical and density functional theory studies of a prototypical zinc peptidase (carboxypeptidase A) suggest a general acid-general base mechanism.
about
Structural and Functional Analysis of the Complex between Citrate and the Zinc Peptidase Carboxypeptidase ACrystal structure of bacteriophage ϕNIT1 zinc peptidase PghP that hydrolyzes γ-glutamyl linkage of bacterial poly-γ-glutamateCatalysis of carboxypeptidase A: promoted-water versus nucleophilic pathways.Inhibitor and substrate binding by angiotensin-converting enzyme: quantum mechanical/molecular mechanical molecular dynamics studies.pH-Dependent reactivity for glycyl-L-tyrosine in carboxypeptidase-A-catalyzed hydrolysis.A modified QM/MM Hamiltonian with the Self-Consistent-Charge Density-Functional-Tight-Binding Theory for highly charged QM regions.Substrate complexes of human dipeptidyl peptidase III reveal the mechanism of enzyme inhibition.Discerning the catalytic mechanism of Staphylococcus aureus sortase A with QM/MM free energy calculations.Stabilization of different types of transition states in a single enzyme active site: QM/MM analysis of enzymes in the alkaline phosphatase superfamily.Insights into metalloenzyme microenvironments: biomimetic metal complexes with a functional second coordination sphere.Refined models of New Delhi metallo-beta-lactamase-1 with inhibitors: an QM/MM modeling study.Insights into the mechanistic dichotomy of the protein farnesyltransferase peptide substrates CVIM and CVLS.A proton-shuttle reaction mechanism for histone deacetylase 8 and the catalytic role of metal ionsA Transferable Non-bonded Pairwise Force Field to Model Zinc Interactions in Metalloproteins.Insights from QM/MM Modeling the 3D Structure of the 2009 H1N1 Influenza A Virus Neuraminidase and Its Binding Interactions with Antiviral Drugs.Catalytic mechanism of aromatic prenylation by NphB.Flexibility of Catalytic Zinc Coordination in Thermolysin and HDAC8: A Born-Oppenheimer ab initio QM/MM Molecular Dynamics Study.Thiol versus hydroxamate as zinc binding group in HDAC inhibition: An ab initio QM/MM molecular dynamics study.Predictive methods for computational metalloenzyme redesign - a test case with carboxypeptidase A.The Origins of Specificity in the Microcin-Processing Protease TldD/E.QM/MM investigation of the catalytic mechanism of angiotensin-converting enzyme.Functional role of R462 in the degradation of hyaluronan catalyzed by hyaluronate lyase from Streptococcus pneumoniae.Diverse role of conformational dynamics in carboxypeptidase A-driven peptide and ester hydrolyses: disclosing the "perfect induced fit" and "protein local unfolding" pathways by altering protein stability.Zinc-catalyzed amide cleavage and esterification of β-hydroxyethylamides.Mechanism of C-terminal intein cleavage in protein splicing from QM/MM molecular dynamics simulations.L718Q mutant EGFR escapes covalent inhibition by stabilizing a non-reactive conformation of the lung cancer drug osimertinib.
P2860
Q27671316-20A9CFA5-B7A8-4091-AC69-8EC817507CC9Q27675746-881E3380-9563-4AEC-9607-904580BCD194Q34059864-B260EF49-583C-4BC9-8CED-3062B38BACF7Q35167293-A5AE303E-14A7-4C78-AF9B-3FA7E619644FQ35182011-3F54979F-8EE1-43DC-A94D-0D540C4BCDF5Q36487775-EB15F28D-0C59-4197-981A-BD1EC87EF45FQ36776848-91CB6C2B-F0E3-4C03-954A-0DDA30145E34Q37029884-6C322E20-2907-41A8-B2A1-2E3871C080E5Q37137337-99343699-F29E-4CDB-8F52-58A0DC0E2B67Q38123702-DF9EBEAC-0D73-4F1B-A1BC-BBB1711F5BE2Q40942612-78F82065-CF7D-4310-9DFE-D17AEDC049FCQ41043204-3AAA20EE-F524-405E-9579-A4251DE9F029Q41890560-6C3D876C-4572-4FDA-A12C-8807E193861AQ42150041-9292A0C9-AF28-4E83-98D8-C7209F20379EQ42234902-B6B08E3F-F32D-4A7C-933C-CE2ED8EA646DQ42563815-9A687CA9-1D86-4266-9F07-8C63885524D3Q42928517-4441CDA8-3EBF-4367-B714-66D8D68FC52EQ43203961-2D429A95-03C7-47C0-B072-4AF7F4B23E9DQ46042058-2447DD17-3E47-43A6-9310-13296D5ACDDAQ47751918-E7DD41A1-3D0B-43F0-93B6-7177C7923FE9Q50227932-E8F00CCE-0CB4-482E-B31A-50E9A616D70FQ50260531-A3CE9A88-49F9-4819-9E58-2AFEE5793B1BQ51555047-9120F79B-B272-4137-9471-6D3941CB99E6Q53172973-8592E98E-3D69-4274-9C33-0419D27CC378Q53198091-A3113AAF-6628-47AF-B2EB-B1A0C25A841BQ55410133-E4EC5870-8C0B-4EA4-8B2B-4EADE4D5940B
P2860
Quantum mechanical/molecular mechanical and density functional theory studies of a prototypical zinc peptidase (carboxypeptidase A) suggest a general acid-general base mechanism.
description
article científic
@ca
article scientifique
@fr
articolo scientifico
@it
artigo científico
@pt
bilimsel makale
@tr
scientific article published on July 2009
@en
vedecký článok
@sk
vetenskaplig artikel
@sv
videnskabelig artikel
@da
vědecký článek
@cs
name
Quantum mechanical/molecular m ...... l acid-general base mechanism.
@en
Quantum mechanical/molecular m ...... a prototypical zinc peptidase
@nl
type
label
Quantum mechanical/molecular m ...... l acid-general base mechanism.
@en
Quantum mechanical/molecular m ...... a prototypical zinc peptidase
@nl
prefLabel
Quantum mechanical/molecular m ...... l acid-general base mechanism.
@en
Quantum mechanical/molecular m ...... a prototypical zinc peptidase
@nl
P2860
P356
P1476
Quantum mechanical/molecular m ...... l acid-general base mechanism.
@en
P2093
P2860
P304
P356
10.1021/JA9027988
P407
P577
2009-07-01T00:00:00Z