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13 Jan 2026 Others Experimental Drug Development Centre A Series of Pyrazolo-Quinazoline Amines Inhibits the Cytochrome <i>bd</i> Oxidase in <i>Mycobacterium tuberculosis</i> (Pending publish) Samsher Singh, Pearly Shuyi Ng, Umayal Lakshmanan, Vikneswaran Mathiyazakan, Thomas Wiggins, Bei Shi Lee, Shi Hua Ang, Sandra Wei Lin Sim, May Delos Santos, Garrett Moraski, Marvin Miller, Michael Berney, Gerhard Gruber, Kevin Pethe Journal of Medicinal Chemistry
27 Nov 2025 BMRC Bioinformatics Institute The Inlet, Outlet, and New Ratchet Element for Proton Transfer of the <i>Acinetobacter baumannii</i> F-ATP Synthase and Their Critical Role for Viability (Pending publish) Khoa Cong Minh Le, Vandana Grover, Amaravadhi Harikishore, Tuck Choy Fong, Jan Kazimierz Marzinek, Alexander Krah, Dang Hai Pham, Peter John Bond, Gerhard Gruber ACS Infectious Diseases
31 Jan 2025 BMRC Bioinformatics Institute Water occupancy in the Acinetobacter baumannii F-ATP synthase c-ring and its implications as a novel inhibitor target (Pending publish) Alexander Krah, Vandana Grover, Tuck Choy Fong, Peter J. Bond, Gerhard Gruber Structure
3 Jan 2024 BMRC Bioinformatics Institute High efficacy of the F-ATP synthase inhibitor TBAJ-5307 against nontuberculous mycobacteria in vitro and in vivo Priya Ragunathan, Patcharaporn Sae-Lao, Claire Hamela, Matthéo Alcaraz, Alexander Krah, Wee Han Poh, Carmen Jia Ern Pee, Albert Yick Hou Lim, Scott A. Rice, Kevin Pethe, Peter J. Bond, Thomas Dick, Laurent Kremer, Roderick W. Bates, Gerhard Gruber Journal of Biological Chemistry
20 Nov 2023 BMRC Bioinformatics Institute Variations of the Mycobacterium abscessus F-ATP synthase subunit a-c interface alter binding and potency of the anti-TB drug bedaquiline Alexander Krah, Priya Ragunathan, Peter J. Bond, Gerhard Gruber Biochemical and Biophysical Research Communications
30 Apr 2019 BMRC Bioinformatics Institute Effect of the additional cysteine 503 of vancomycin-resistant Enterococcus faecalis (V583) alkylhydroperoxide reductase subunit F (AhpF) and the mechanism of AhpF and subunit C assembling Yew Kwang Toh, Joon Shin, Asha Manikkoth Balakrishna, Neelagandan Kamariah, Ardina Gruber, Frank Eisenhaber, Birgit Eisenhaber, Gerhard Gruber Free Radical Biology and Medicine
20 Sep 2018 BMRC Bioinformatics Institute Molecular mechanism of the Escherichia coli AhpC in the function of a chaperone under heat-shock conditions Neelagandan Kamariah, Birgit Eisenhaber, Frank Eisenhaber, Gerhard Gruber Scientific Reports
21 Feb 2018 BMRC Bioinformatics Institute Active site C P -loop dynamics modulate substrate binding, catalysis, oligomerization, stability, over-oxidation and recycling of 2-Cys Peroxiredoxins Neelagandan Kamariah, Birgit Eisenhaber, Frank Eisenhaber, Gerhard Gruber Free Radical Biology and Medicine
28 Nov 2016 BMRC Bioinformatics Institute Transition steps in peroxide reduction and a molecular switch for peroxide robustness of prokaryotic peroxiredoxins Neelagandan Kamariah, Mun Foong Sek, Birgit Eisenhaber, Frank Eisenhaber, Gerhard Gruber Scientific Reports
24 Sep 2015 BMRC Bioinformatics Institute NMR studies reveal a novel grab and release mechanism for efficient catalysis of the bacterial 2-Cys peroxiredoxin machinery Wilson Nartey, Sandip Basak, Neelagandan Kamariah, Malathy S. S. Manimekalai, Scott Robson, Gerhard Wagner, Birgit Eisenhaber, Frank Eisenhaber, Gerhard Gruber FEBS Journal