Catalysis by the non-heme iron (II) histone demethylase PHF8 involves iron center rearrangement and conformational modulation of substrate orientation SS Chaturvedi, R Ramanan, N Lehnert, CJ Schofield, ... ACS catalysis 10 (2), 1195-1209, 2019 | 68 | 2019 |
Role of structural dynamics in selectivity and mechanism of non-heme Fe (II) and 2-oxoglutarate-dependent oxygenases involved in DNA repair SO Waheed, R Ramanan, SS Chaturvedi, N Lehnert, CJ Schofield, ... ACS Central Science 6 (5), 795-814, 2020 | 49 | 2020 |
Atomic and Electronic Structure Determinants Distinguish between Ethylene Formation and l-Arginine Hydroxylation Reaction Mechanisms in the Ethylene-Forming Enzyme SS Chaturvedi, R Ramanan, J Hu, RP Hausinger, CZ Christov ACS Catalysis 11, 1578-1592, 2021 | 42 | 2021 |
Catalytic mechanism of human ten-eleven translocation-2 (tet2) enzyme: Effects of conformational changes, electric field, and mutations SO Waheed, SS Chaturvedi, TG Karabencheva-Christova, CZ Christov ACS Catalysis 11 (7), 3877-3890, 2021 | 38 | 2021 |
Catalysis by the JmjC histone demethylase KDM4A integrates substrate dynamics, correlated motions and molecular orbital control R Ramanan, SS Chaturvedi, N Lehnert, CJ Schofield, ... Chemical Science 11 (36), 9950-9961, 2020 | 35 | 2020 |
Can second coordination sphere and long-range interactions modulate hydrogen atom transfer in a non-heme Fe (II)-dependent histone demethylase? SS Chaturvedi, SB Jaber Sathik Rifayee, SO Waheed, J Wildey, C Warner, ... JACS Au 2 (9), 2169-2186, 2022 | 30 | 2022 |
Structure-function relationships in KDM7 histone demethylases SS Chaturvedi, R Ramanan, SO Waheed, TG Karabencheva-Christova, ... Advances in protein chemistry and structural biology 117, 113-125, 2019 | 29 | 2019 |
Conformational dynamics underlies different functions of human KDM7 histone demethylases SS Chaturvedi, R Ramanan, SO Waheed, J Ainsley, M Evison, JM Ames, ... Chemistry–A European Journal 25 (21), 5422-5426, 2019 | 24 | 2019 |
How human TET2 enzyme catalyzes the oxidation of unnatural cytosine modifications in double-stranded DNA SO Waheed, A Varghese, SS Chaturvedi, TG Karabencheva-Christova, ... ACS catalysis 12 (9), 5327-5344, 2022 | 23 | 2022 |
From Random to Rational: Improving Enzyme Design through Electric Fields, Second Coordination Sphere Interactions, and Conformational Dynamics SS Chaturvedi, D Bím, C Christov, AN Alexandrova Chemical Science, 2023 | 19 | 2023 |
Conformational flexibility influences structure–function relationships in nucleic acid N-methyl demethylases SO Waheed, R Ramanan, SS Chaturvedi, J Ainsley, M Evison, JM Ames, ... Organic & Biomolecular Chemistry 17 (8), 2223-2231, 2019 | 19 | 2019 |
Catalysis by KDM6 Histone Demethylases–A Synergy between the Non‐Heme Iron (II) Center, Second Coordination Sphere, and Long‐Range Interactions SBJS Rifayee, SS Chaturvedi, C Warner, J Wildey, W White, M Thompson, ... Chemistry–A European Journal 29 (51), e202301305, 2023 | 18 | 2023 |
A synergy between the catalytic and structural Zn (II) ions and the enzyme and substrate dynamics underlies the structure–function relationships of matrix metalloproteinase … A Varghese, SS Chaturvedi, GB Fields, TG Karabencheva-Christova JBIC Journal of Biological Inorganic Chemistry 26, 583-597, 2021 | 14 | 2021 |
Integrating molecular probes and molecular dynamics to reveal binding modes of GLUT5 activatory and inhibitory ligands J Ainsley, SS Chaturvedi, TG Karabencheva-Christova, M Tanasova, ... Chemical Communications 54 (71), 9917-9920, 2018 | 12 | 2018 |
Can an external electric field switch between ethylene formation and l-arginine hydroxylation in the ethylene forming enzyme? SS Chaturvedi, SBJS Rifayee, R Ramanan, JA Rankin, J Hu, ... Physical Chemistry Chemical Physics 25 (19), 13772-13783, 2023 | 11 | 2023 |
Revealing the catalytic strategy of FTO A Varghese, SO Waheed, SS Chaturvedi, I DiCastri, C LaRouche, B Kaski, ... Chem Catalysis 3 (9), 2023 | 8 | 2023 |
Dioxygen Binding Is Controlled by the Protein Environment in Non‐heme FeII and 2‐Oxoglutarate Oxygenases: A Study on Histone Demethylase PHF8 and an … SS Chaturvedi, MG Thomas, SBJS Rifayee, W White, J Wildey, C Warner, ... Chemistry–A European Journal 29 (24), e202300138, 2023 | 8 | 2023 |
Directed Evolution of Protoglobin Optimizes the Enzyme Electric Field SS Chaturvedi, S Vargas, P Ajmera, AN Alexandrova Journal of the American Chemical Society 146 (24), 16670-16680, 2024 | 7 | 2024 |
Effects of the Nature of Metal Ion, Protein and Substrate on the Catalytic Center in Matrix Metalloproteinase‐1: Insights from Multilevel MD, QM/MM and QM Studies A Varghese, SS Chaturvedi, B DiCastri, E Mehler, GB Fields, ... ChemPhysChem 23 (4), e202100680, 2022 | 7 | 2022 |
The unique role of the second coordination sphere to unlock and control catalysis in nonheme Fe (II)/2-oxoglutarate histone demethylase KDM2A MG Thomas, SB Jaber Sathik Rifayee, SS Chaturvedi, KR Gorantla, ... Inorganic Chemistry 63 (23), 10737-10755, 2024 | 6 | 2024 |