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Below is a gallery of structures solved by our lab, either independently or through collaborative efforts with other labs. We love to solve macromolecular structures because they inform scientists of biological function, provide important insights into disease, and open new avenues for drug development. You must have WebGL enabled to view the structures 3Dmol is used for visualization. Left click to rotate. Use the scroll wheel to zoom in or out. Press and hold the scroll wheel or control to move up or down. Solution NMR structure of a RiPP proteusin precursor protein - PDB ID 9CJX Solved in collaboration with Agarwal lab (GaTech) Function: Natural products De novo designed protein MS3 - PDB ID 8VL4 Collaboration with Baker lab (UW) Function: De novo designed protein De novo designed protein MS2 - PDB ID 8VL3 Collaboration with Baker lab (UW) Function: De novo designed protein Solution NMR structure of halichondamide A, a fused bicyclic cysteine knot undecapeptide from the marine sponge Halichondria bowerbanki - PDB ID 9BHN Solved in collaboration with Agarwal lab (GaTech) Function: Natural products Solution NMR structure of a RiPP proteusin precursor protein - PDB ID 8TB1 Solved in collaboration with Agarwal lab (GaTech) Function: Natural products De novo designed β-hairpin peptides - PDB ID 8TXS Solved in collaboration with Torres lab (GaTech) Function: De novo designed peptides De novo designed β-hairpin peptides - PDB ID 8T61 Solved in collaboration with Torres lab (GaTech) Function: De novo designed peptides De novo designed β-hairpin peptides - PDB ID 8T62 Solved in collaboration with Torres lab (GaTech) Function: De novo designed peptides De novo designed β-hairpin peptides - PDB ID 8T63 Solved in collaboration with Torres lab (GaTech) Function: De novo designed peptides Temporin L in absence of SDS - PDB ID 8TV4 Solved in collaboration with Halim lab (Kennesaw State University) Function: Candidate SARS-CoV-2 Mpro inhibitor Ac-6-FP/MR1/TAPBPR structure - PDB ID 7RNO Solved while in the Sgourakis lab (UPENN/CHOP) Function: Metabolite antigen presentation NRASQ61K/HLA-A*01:01 structure - PDB ID 6MPP Solved in the Sgourakis Lab together with David Flores-Solis (UC Santa Cruz) Function: Neoepitope antigen presentation in neuroblastoma De novo designed protein XAA - PDB ID 6O0I Solved in the Sgourakis lab together with Danai Moschidi and Santrupti Nerli (UC Santa Cruz) Collaboration with Kathy Wei in the Baker lab (UW) Function: De novo designed protein Disulfide linked P18-I10/H2-Dd - PDB ID 6NPR Solved in the Sgourakis lab together with Joey Toor and Sarvind Tripathi (UC Santa Cruz) Function: Peptide antigen presentation FoxM1 transcription factor - PDB ID 6OSW Solved in the Sgourakis Lab together with Santrupti Nerli (UC Santa Cruz) Collaboration with Aimee Marceau in the Rubin lab (UC Santa Cruz) Function: Cancer associated transcription factor De novo designed double-stranded beta-helix - PDB ID 6E5C Solved in the Sgourakis Lab together with Santrupti Nerli (UC Santa Cruz) Collaboration with Enrique Marcos in the Baker lab (UW) and Thomas Evangelidis in the Tripsianes lab (CEITEC) Function: De novo designed protein |