[HTML][HTML] KRAS interaction with RAF1 RAS-binding domain and cysteine-rich domain provides insights into RAS-mediated RAF activation

TH Tran, AH Chan, LC Young, L Bindu, C Neale… - Nature …, 2021 - nature.com
The first step of RAF activation involves binding to active RAS, resulting in the recruitment of
RAF to the plasma membrane. To understand the molecular details of RAS-RAF interaction, …

Covalent inhibitors for eradication of drug-resistant HIV-1 reverse transcriptase: From design to protein crystallography

AH Chan, WG Lee, KA Spasov… - Proceedings of the …, 2017 - National Acad Sciences
Development of resistance remains a major challenge for drugs to treat HIV-1 infections,
including those targeting the essential viral polymerase, HIV-1 reverse transcriptase (RT). …

Discovery of Staphylococcus aureus Sortase A Inhibitors Using Virtual Screening and the Relaxed Complex Scheme

AH Chan, J Wereszczynski, BR Amer… - Chemical biology & …, 2013 - Wiley Online Library
Staphylococcus aureus is the leading cause of hospital‐acquired infections in the U nited S
tates. The emergence of multidrug‐resistant strains of S . aureus has created an urgent need …

[HTML][HTML] Reduced dynamic complexity allows structure elucidation of an excited state of KRASG13D

FA Chao, AH Chan, S Dharmaiah… - Communications …, 2023 - nature.com
Localized dynamics of RAS, including regions distal to the nucleotide-binding site, is of high
interest for elucidating the mechanisms by which RAS proteins interact with effectors and …

[PDF][PDF] Exploring CRD mobility during RAS/RAF engagement at the membrane

…, F Di Natale, T Travers, TH Tran, AH Chan, H Bhatia… - Biophysical …, 2022 - cell.com
During the activation of mitogen-activated protein kinase (MAPK) signaling, the RAS-binding
domain (RBD) and cysteine-rich domain (CRD) of RAF bind to active RAS at the plasma …

Asynchronous reciprocal coupling of Martini 2.2 coarse-grained and CHARMM36 all-atom simulations in an automated multiscale framework

…, H Bhatia, F Di Natale, TH Tran, AH Chan… - Journal of Chemical …, 2022 - ACS Publications
The appeal of multiscale modeling approaches is predicated on the promise of combinatorial
synergy. However, this promise can only be realized when distinct scales are combined …

[HTML][HTML] Structural studies and structure activity relationships for novel computationally designed non-nucleoside inhibitors and their interactions with HIV-1 reverse …

KM Frey, N Bertoletti, AH Chan, JA Ippolito… - Frontiers in Molecular …, 2022 - frontiersin.org
Reverse transcriptase (RT) from the human immunodeficiency virus continues to be an attractive
drug target for antiretroviral therapy. June 2022 will commemorate the 30th anniversary …

[HTML][HTML] Structure of the Bacillus anthracis Sortase A enzyme bound to its sorting signal: A flexible amino-terminal appendage modulates substrate access

AH Chan, SW Yi, AL Terwilliger, AW Maresso… - Journal of Biological …, 2015 - ASBMB
The endospore forming bacterium Bacillus anthracis causes lethal anthrax disease in humans
and animals. The ability of this pathogen to replicate within macrophages is dependent …

Structural insights into the recognition of nucleoside reverse transcriptase inhibitors by HIV‐1 reverse transcriptase: First crystal structures with reverse transcriptase …

N Bertoletti, AH Chan, RF Schinazi, YW Yin… - Protein …, 2019 - Wiley Online Library
The retrovirus HIV‐1 has been a major health issue since its discovery in the early 80s. In
2017, over 37 million people were infected with HIV‐1, of which 1.8 million were new …

Design, conformation, and crystallography of 2-naphthyl phenyl ethers as potent anti-HIV agents

WG Lee, AH Chan, KA Spasov… - ACS Medicinal …, 2016 - ACS Publications
Catechol diethers that incorporate a 7-cyano-2-naphthyl substituent are reported as non-nucleoside
inhibitors of HIV-1 reverse transcriptase (NNRTIs). Many of the compounds have 1–…