Recent Publications

Zhang X, Zhao Y, Yan H, Cao Z, Mo Y. “Combined QM(DFT)/MM molecular dynamics simulations of the deamination of cytosine by yeast cytosine deaminase (yCD).” J Comput Chem. (2016) Jan 26;. doi:10.1002/jcc.24306

Zhang L, Yao J, Withers J, Xin XF, Banerjee R, Fariduddin Q, Nakamura Y, Nomura K, Howe GA, Boland W, Yan H, He SY. “Host target modification as a strategy to counter pathogen hijacking of the jasmonate hormone receptor.” Proc Natl Acad Sci U S A. (2015) Nov 17;112(46):14354-9. doi:10.1073/pnas.1510745112

Gao K, He H, Yang M, Yan H. “Molecular dynamics simulations of the Escherichia coli HPPK apo-enzyme reveal a network of conformational transitions.” Biochemistry. (2015) Nov 10;54(44):6734-42. doi:10.1021/acs.biochem.5b01012

Banerjee R, Yan H, Cukier RI. “Conformational transition in signal transduction: metastable states and transition pathways in the activation of a signaling protein.” J Phys Chem B. (2015) Jun 4;119(22):6591-602. doi:10.1021/acs.jpcb.5b02582

Achila D, Liu A, Banerjee R, Li Y, Martinez-Hackert E, Zhang JR, Yan H. “Structural determinants of host specificity of complement Factor H recruitment by Streptococcus pneumoniae.” Biochem J. (2015) Jan 15;465(2):325-35. doi:10.1042/BJ20141069

Blaszczyk J, Lu Z, Li Y, Yan H, Ji X. “Crystallographic and molecular dynamics simulation analysis of Escherichia coli dihydroneopterin aldolase.” Cell Biosci. (2014) 4(1):52. doi:10.1186/2045-3701-4-52

Banerjee R, Yan H, Cukier RI. “Conformational transition of response regulator RR468 in a two-component system signal transduction process.” J Phys Chem B. (2014) May 8;118(18):4727-42. doi:10.1021/jp4122968

Chen B, Himes P, Liu Y, Zhang Y, Lu Z, Liu A, Yan H, Kroos L. “Structure of bacterial transcription factor SpoIIID and evidence for a novel mode of DNA binding.” J Bacteriol. (2014) Jun;196(12):2131-42. doi:10.1128/JB.01486-13

Banerjee A, Wu Y, Banerjee R, Li Y, Yan H, Sharkey TD. “Feedback inhibition of deoxy-D-xylulose-5-phosphate synthase regulates the methylerythritol 4-phosphate pathway.” J Biol Chem. (2013) Jun 7;288(23):16926-36. doi:10.1074/jbc.M113.464636

Shi GB, Shaw G, Li Y, Wu Y, Yan HG, Ji XH. “Bisubstrate analog inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase: New lead exhibits a distinct binding mode”. Biorganic & Medicinal Chemistry (2012) 20(2):4303-4309. doi:10.1016/j.bmc.2012.05.060

Wang J, Sklenak S, Liu A, Felczak K, Wu Y, Li Y, Yan H. “Role of glutamate 64 in the activation of the prodrug 5-fluorocytosine by yeast cytosine deaminase.” Biochemistry. (2012) Jan 10;51(1):475-86. doi:10.1021/bi201540z

He Y, Li Y, Mukherjee S, Wu Y, Honggao Y, Lu HP. “Probing Single-Molecule Enzyme Active-Site Conformational State Intermittent Coherence.” Journal of the American Chemical Society (2011) 133(36):14389-95. doi:10.1021/ja204644y

Yan H, Ji X. “Role of protein conformational dynamics in the catalysis by 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase.” Protein Pept Lett. (2011) Apr;18(4):328-35.