Publications

Tse E, et al. (2021). An Open Drug Discovery Competition: Experimental Validation of Predictive Models in a Series of Novel Antimalarials. J Med Chem. https://doi.org/10.1021/acs.jmedchem.1c00313

Nigam A, et al. (2021). SARS-COV2 Transmethylase Binding Study. In preparation.

Ning L, Geng Y, Lovett-Barron M , Niu X , Deng M, Wang L, Ataie N, Sens A, Ng HL, Chen S, Deisseroth K, Lin MZ, Chu J. (2021). A bright, nontoxic, and non-aggregating red fluorescent protein for long-term labeling of fine structures in neurons. In preparation.

Kagawa A*, Ngo J*, Sens A, O’Malley S, Ng HL. (2021). Pan-serotype botulinum toxin inhibitors. In preparation.

Vidad AR, Macaspac S, Ng HL. (2021). Locating the ligand binding sites in G-protein coupled receptors using combined information from docking and sequence conservation. PeerJ. 9:e12219. https://peerj.com/articles/12219

Fang C, Drobizhev M, Ng HL, Pantazis P. (2021). Editorial: Mechanisms of fluorescent proteins. Frontiers Mol Biosci. 8:701523.

Tang B, Ewalt J, Ng HL. (2021). Generative AI models for drug discovery. Topics in Med Chem. doi:10.1007/7355_2021_124.

Motion A, et al. (2021). A Potent, in vivo Active Antimalarial Series Based on a Triazolopyrazine Core: Open Source Malaria Series 4. In preparation.

Souza SA, Held A, Lu WJ, Drouhard B, Avila B, Leyva-Montes R, Hu M, Miller III BR, Ng HL. (2021). Mechanisms of allosteric and mixed mode aromatase inhibitors. RSC Chemical Biology. https://doi.org/10.1039/D1CB00046B

Ng HL. (2021). The Open Source COVID-19 (OSC19) Drug Discovery Consortium. Accepted.

Bajinting A, Ng HL. (2020). Structural studies of full-length receptor tyrosine kinases and their implications for drug design. Advances in Protein Chemistry and Structural Biology. https://doi.org/10.1016/bs.apcsb.2020.10.007

Huang M, Bolin S, Miller H, Ng HL. (2020). RORγ structural plasticity and druggability. Int. J. Molec. Sci. 21: 5329. https://www.mdpi.com/1422-0067/21/15/5329

Rehman AU, Rahman MU, Wadood A, Arshad T, Ng HL, Chen HF. (2020). Decoding allosteric communication pathways in protein lysine acetyltransferase. Int. J. Biol. Macromol. https://doi.org/10.1016/j.ijbiomac.2020.01.213

Wang B, Ng HL. (2020). Deep neural network affinity model for BACE inhibitors in D3R Grand Challenge 4. J. Computer-Aided Molec Design. doi:10.1007/s10822-019-00275-z . https://www.biorxiv.org/content/10.1101/680306v2

Zou Y, Ewalt J, Ng HL. (2019). Insights from molecular dynamics simulations for GPCR drug discovery. Int. J. Mol. Sci. 20: 4237. doi.org/10.3390/ijms20174237

Souza SA, Kurohara DT, Dabalos CL, Ng HL. (2019). G protein-coupled estrogen receptor production from an E. coli cell-free expression system. Current Protocols Protein Sci. doi:10.1002/cpps.88

Bajinting A, Ng HL. (2019). A detailed protocol for the recombinant expression in E. coli of human FGFR2 with its transmembrane and extracellular domains. Bio-protocol. doi:10.21769/BioProtoc.3261

Fu B, Xu T, Cui Z, Ng HL, Wang K, Li J, Li QX. (2018). Mutation of phenylalanine-223 to leucine enhances transformation of benzo[a]pyrene by ring-hydroxylating dioxygenase of Sphingobium sp. FB3 by increasing accessibility of the catalytic site. J. Agric. Food Chem. doi:10.1021/acs.jafc.7b05018

Forest K, Alfulaij N, Arora K, Lawrence JLM, Yoshikawa G, Ng HL, Hruby VJ, Nichols RA. (2017). Neuroprotection against β-Amyloid toxicity by a non-toxic endogenous N-terminal β-amyloid fragment and its active hexapeptide core sequence. J. Neurochemistry. doi:10.1111/jnc.14257

Buchko GW, Echols N, Flynn EM, Ng HL, Stephenson S, Kim HB, Myler PJ, Terwilliger TC, Alber T, Kim CY. (2017). Structural and biophysical characterization of Rv0577, a protein associated with neutral red staining of virulent strains of Mycobacterium tuberculosis and homolog of the Streptomyces coelicolor protein KbpA. Biochemistry. doi: 10.1021/acs.biochem.7b00511

Bajinting A, Ng HL. (2017). Recombinant expression in E. coli of human FGFR2 with its transmembrane and extracellular domains. PeerJ. 5:e3512. dx.doi.org/10.7717/peerj.3512

Kim J, Ng HL. (2017). Screening and identifying membrane proteins favorable for crystallization. Current Protocols Protein Sci. doi:10.1002/cpps.40

Ng HL. (2016). Simulations reveal increased fluctuations in estrogen receptor-alpha conformation upon antagonist binding. J. Molec. Graphics Modelling. 69, 72. dx.doi.org/10.1016/j.jmgm.2016.08.009

Ng HL, Lin MZ. (2016). Structure-guided wavelength tuning in far-red fluorescent proteins. Current Opin. Struct. Biol. 39, 124. dx.doi.org/10.1016/j.sbi.2016.07.010

Chu J, Oh Y, Sens A, Ataie N, Dana H, Macklin JJ, Laviv T, Welf ES, Dean KM, Zhang F, Kim BB, Tang CT, Hu M, Baird MA, Davidson MW, Kay MA, Fiolka R, Yasuda R, Kim DS, Ng HL, Lin MZ. (2016). A bright cyan-excitable orange fluorescent protein facilitates dual-emission microscopy and enhances bioluminescence imaging in vivo. Nature Biotechnol. doi: 10.1038/nbt.3550. link

Ataie N, Xiang J, Cheng N, Brea EJ, Lu W, Scheinberg DA, Liu C, Ng HL. (2016). Structure of a TCR-mimic antibody with target predicts pharmacogenetics. J. Mol. Biol. doi: 10.1016/j.jmb.2015.12.002. link

Kim J, Kagawa A, Kurasaki K, Ataie N, Cho IK, Li QX, Ng HL. (2015). Large scale identification of membrane proteins with properties favorable for crystallization. Protein Sci. doi: 10.1002/pro.2766. link

Ataie N, Ng HL. (2014). X-ray crystallography: A science of truth and beauty. Science Vision. 20, 49.

Chu J, Haynes R, Corbel SY, Li P, González-González E, Burg JS, Ataie NJ, Lam AJ, Cranfill PJ, Baird MA, Davidson MW, Ng HL, Garcia KC ,Contag CH, Shen K, Blau HM, Lin MZ. (2014). Non-invasive intravital imaging of cellular differentiation with a bright red-excitable fluorescent protein. Nature Methods. doi: 10.1038/nmeth.2888. link

Tosha T, Behera RK, Ng HL, Bhattasali O, Alber T, Theil EC. (2012). Ferritin protein nanocage ion channels: gating by N-terminal extensions. J. Biol. Chem. 287, 13016. link

Lombana TN, Echols N, Good MC, Thomsen ND, Ng HL, Greenstein AE, Falick AM, King DS, Alber T. (2010). Allosteric activation mechanism of the Mycobacterium tuberculosis receptor Ser/Thr protein kinase, PknB. Structure. 18, 1667. link

Tosha T*, Ng HL*, Bhattasali O, Alber T, Theil EC. Moving metal ions through ferritin protein nanocages: the journey from three-fold pores to catalytic sites. (2010). J. Am. Chem. Soc. 132, 14562. (*Co-lead authors). link

Lang PT*, Ng HL*, Fraser JS, Corn J, Echols N, Sales M, Holton J, Alber T. (2010). Observation of protein conformational polymorphism in crystallographic electron density maps. Protein Sci. 19, 1420. (*Co-lead authors). link

Lin MZ, McKeown MR, Ng HL, Aguilera T, Shaner NC, Adams SR, Ma W, Alber T, Tsien RY. (2009). Autofluorescent proteins with excitation in the optical window for intravital imaging in mammals. Chemistry & Biology 16, 1169. link

Bertin A, McMurray MA, Grob P, Park SS, Garcia G, Patanwala I, Ng HL, Alber T, Thorner J, Nogales E. (2008). Saccharomyces cerevisiae Septins: Supramolecular organization of hetero-oligomers and the mechanism of filament assembly. Proc. Natl. Acad. Sci. USA. 105, 8274. link

Gay LM, Ng HL, Alber T. (2006). A conserved dimer and global conformational changes in the structure of apo-PknE Ser/Thr protein kinase from Mycobacterium tuberculosis. J. Mol. Biol. 360, 409.

Grundner C, Ng HL, Alber T. (2005). Mycobacterium tuberculosis protein tyrosine phosphatase PtpB structure reveals a diverged fold and a buried active site. Structure 13, 1625.

Pullen KE, Ng HL, Sung PY, Good MC, Smith SM, Alber T. (2004). An alternate conformation and a third metal in PstP/Ppp, the M. tuberculosis PP2C-Family Ser/Thr protein phosphatase. Structure 12, 1947.

Good MC, Greenstein AE, Young TA, Ng HL, Alber T. (2004). Sensor domain of the Mycobacterium tuberculosis receptor Ser/Thr protein kinase, PknD, forms a highly symmetric beta propeller. J. Mol. Biol. 339, 459.

Kopka ML, Han GW, Lavelle L, Ng HL, Dickerson RE. (2003). An unusual sugar conformation in the structure of an RNA/DNA decamer of the polypurine tract may affect recognition by RNase H. J. Mol. Biol. 334, 653.

Ng HL, Dickerson RE. (2002). The mediation of the A<>B DNA transition by guanine tracts. Nucleic Acids Res. 30, 4061.

Dickerson RE, Ng HL. (2001). DNA structure from A to B. Proc. Natl. Acad. Sci. USA 98, 6986.

Ng HL, Dickerson RE. (2001). Mildly eccentric ‘E-DNA’. Nature Struct. Biol. 8, 107.

Šponer J, Florián J, Ng HL, Šponer JE Špacková, N. (2000). Local conformational variations observed in B-DNA crystals do not improve base stacking: computational analysis of base stacking in a d(CATGGGCCCATG)2 B↔A intermediate crystal structure. Nucleic Acids Res. 28, 4893.

Ng HL, Kopka ML, Dickerson RE. (2000). The structure of a stable intermediate in the A↔B DNA transition. Proc. Natl. Acad. Sci. USA 97, 2035.

Marcotte E, Pellegrini M, Ng HL, Rice DW, Yeates T, Eisenberg D. (1999). Detecting protein function and protein-protein interactions from genome sequences. Science 285, 751.

Goodsell D, Ng HL, Kopka ML, Lown JW, Dickerson RE (1995). Structure of a dicationic monoimidazole lexitropsin bound to DNA. Biochemistry 34, 16654.