Targeting the regulation of androgen receptor signaling by the heat shock protein 90 cochaperone FKBP52 in prostate cancer cells. De Leon JT, Iwai A, Feau C, Garcia Y, Balsiger HA, Storer CL, Suro RM, Garza KM, Lee S, Kim YS, Chen Y, Ning YM, Riggs DL, Fletterick RJ, Guy RK, Trepel JB, Neckers LM, Cox MB.Fragment-based optimization of small molecule CXCL12 inhibitors for antagonizing the CXCL12/CXCR4 interaction. Ziarek J, J, Liu Y, Smith E, Zhang G, Peterson F, C, Chen J, Yu Y, Chen Y, Volkman B, F, Li R.

Structure-based design of potent and ligand-efficient inhibitors of CTX-M class A β-lactamase.

Nichols DA, Jaishankar P, Larson W, Smith E, Liu G, Beyrouthy R, Bonnet R, Renslo AR, Chen Y.

Hematein, a casein kinase II inhibitor, inhibits lung cancer tumor growth in a murine xenograft model.

Hung M, S, Xu Z, Chen Y, Smith E, Lin Y, Yang C, Jablons D, M, You L.

Kinetic Characterization and Crystal Structure of Penicillin-Binding Protein 5 from Pseudomonas aeruginosa.

Smith J, Zhang W, Kumarasiri M, Hesek D, Lee M, Toth M, Vakulenko S, Fisher J, Mobashery S, Chen Y.

Can Molecular Dynamics and QM/MM solve the Penicillin Binding Protein Protonation Puzzle? J.

Hargis J, C, White J, K, Chen Y, Woodcock H, L.

Coregulator Control of Androgen Receptor Action by a Novel Nuclear Receptor-binding Motif.

Jehle K, Cato L, Neeb A, Muhle-Goll C, Jung N, Smith E, W, Buzon V, Carbó L, R, Estébanez-Perpiñá E, Schmitz K, Fruk L, Luy B, Chen Y, Cox M, B, Bräse S, Brown M, Cato A, C.

Fragment-based inhibitor discovery against β-lactamases. Structural analysis of a novel small molecule ligand bound to the CXCL12 chemokine.

Smith E, W, Liu Y, Getschman A, E, Peterson F, C, Ziarek J, J, Li R, Volkman B, K, Chen Y.Antibacterial properties and atomic resolution X-ray complex crystal structure of a ruthenocene conjugated β-lactam antibiotic. Lewandowski E, M, Skiba J, Torelli N, J, Rajnisz A, Solecka J, Kowalski K, Chen Y.Ligand-induced proton transfer and low-barrier hydrogen bond revealed by X-ray crystallography. Nichols D, A, Hargis J, C, Sanishvili R, Jaishanka P, Defrees K, Smith E, W, Wang K, K, Prati F, Renslo A, R, Woodcock H, L, Chen Y.Structures of Pseudomonas aeruginosa LpxA reveal basis for substrate selectivity. Smith E, W, Zhang X, Behzadi C, Andrews L, D, Cohen F, Chen Y.Structure-Based Identification of Novel Ligands Targeting Multiple Sites within a Chemokine-G-Protein-Coupled-Receptor Interface. Smith EW, Nevins AM, Qiao Z, Liu Y, Getschman AE, Vankayala SL, Kemp MT, Peterson FC, Li R, Volkman BF, Chen Y.Crystallographic Structure of Truncated CCL21 and the Putative Sulfotyrosine-Binding Site. Smith EW, Lewandowski EM, Moussouras NA, Kroeck KG, Volkman BF, Veldkamp CT, Chen Y.Molecular Basis of Substrate Recognition and Product Release by the Klebsiella pneumoniae Carbapenemase (KPC-2). Member (American Chemical Society, 2009 - Present).Identifying novel inhibitors as potential drug leads and chemical probes for proteins of biomedical importance.Developing fragment-based molecular docking for drug discovery.Studying molecular interactions at atomic and ultimately subatomic scale through ultra-high resolution X-ray crystallography.We also study human signal transduction proteins in collaboration with other laboratories. We utilize a multi-disciplinary approach, combining biochemistry, structural biology and computational chemistry, to investigate the function and inhibition of enzymes related to bacterial cell wall synthesis, the biological process targeted by antibiotics such as penicillin. The Chen lab () focuses on structure-based drug design against proteins involved in infectious diseases and cancer.BS, Biochemistry and Molecular Biology, Peking University, 1997.PhD, Biochemistry, University of Chicago, 2002.

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