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March 2024

Dr. Blaine Mooers, Academic Core Director of the COBRE Biomolecular Structure Core, has a new publication:

Matsui et al. (2024) "Adaptable SEC-SAXS data collection for higher quality structure analysis in solution", Protein Sci. doi: 10.1002/pro.4946

Data for the following publication were obtained using instrumentation in the COBRE-supported PPC Core facility:

Li et al. (2023) "An automated spray-capillary platform for the microsampling and CE-MS analysis of picoliter- and nanoliter-volume samples", Anal Bioanal Chem doi: 10.1007/s00216-023-04870-w

Dr. Yihan Shao, COBRE Pilot Project Leader, has two new publications:

Pan et al. (2024) "Training of machine learning potentials for reactive systems: A Colab tutorial on basic models", J. Comput Chem. doi: 10.1002/jcc.27269

Pan et al. (2023) "Free energy profile decomposition analysis for QM/MM simulations of enzymatic reactions", J Chem Theory Comput. doi: 10.1021/acs.jctc.3c00973

Dr. Christina Bourne,  former COBRE Project Leader, has a new publication:

Ruan et al. (2024) "Friend or Foe: Protein inhibitors of DNA gyrase", Biology  doi: 10.3390/biology13020084

Dr. Wei-Qun Ding, former COBRE Pilot Project Leader, has a new publication:

Bhandari et al. (2024) "Protein arginine methylation patterns in plasma small extracellular vesicles are altered in patients with early-stage pancreatic ductal adenocarcinoma", Cancers  doi: 10.3390/cancers16030654

October 2023

Dr. Leonard Thomas, Facility Director of the COBRE Biomolecular Structure Core, is co-author on three publications that also acknowledge the BSC Norman:

Powell et al. (2023) "Crystal structural investigations of heme protein derivatives resulting from reactions of aryl- and alkylhydroxylamines with human hemoglobin", J Inorg Biochem. doi: 10.1016/j.jinorgbio.2023.112304

Herrera et al. (2023) "Insights into nitrosoalkane binding to myoglobin provided by crystallography of wild-type and distal pocket mutant derivatives", Biochemistry doi: 10.1021/acs.biochem.2c00725

Powell et al. (2023) "Interactions of metronidazole and chloramphenicol with myoglobin crystal structure of a Mb-acetamide product", J. Porphyrins and Phthalocyanines doi: 10.1142/S10884246235007

Dr. Robert Matts, former Pilot Project Leader, has a new publication:

Merfeld et al. (2023) "Elucidation of novel TRAP1-Selective inhibitors that regulate mitochondrial processes", Eur J Med Chem doi: 10.1016/j.ejmech.2023.115531

Dr. Marie Hanigan, former Project Leader, has a new publication:

Bist et al. (2023) "SAR of L-ABBA analogs for GGT1 inhibitory activity and L-ABBA's effect on plasma cysteine and GSH species", Bioorg Med Chem Lettdoi: 10.1016/j.bmcl.2023.129406

July 2023

Dr. Blaine Mooers, Academic Core Director of the COBRE Biomolecular Structure Core, has a new publication:

Acquah & Mooers (2023) "Targeting RNA structure to inhibit editing in trypanosomes", Int J Mol Sci. doi: 10.3390/ijms241210110

Dr. Elizabeth Karr, former COBRE Project Leader, has a new publication, co-authored by BSC Facility Director, Dr. Len Thomas, which also acknowledges use of the BSC:

Dinh et al. (2023) "Crystal structure of a putative 3-hydroxypimelyl-CoA dehydrogenase, Hcd1, at 1.78 Å resolution from Syntrophus aciditrophicus strain SB", Acta Cryst F Struct Biol Commundoi: 10.1107/S2053230X23004399

April 2023

Dr. Wei-Qun Ding, COBRE Pilot Project Leader, has a new publication:

Xu et al. (2023) "miR-18a and miR-106a signatures in plasma small EVs are promising biomarkers for early detection of pancreatic ductal adenocarcinoma", Int J Mol Sci. doi: 10.3390/ijms24087215

January 2023

Data for the following publications were obtained using instrumentation in the COBRE-supported PPC Core facility:

Hamsici et al. (2023) "Controllable membrane damage by tunable peptide aggregation with albumin", AIChe Journal.  doi: 10.1002/aic.17893

Heydarian et al. (2023) "Eradicating biofilms of carbapenem-resistant enterobacteriaceae by simultaneously dispersing the biomass and killing planktonic bacteria with PEGylated branched polyethyleneimine", ChemMedChem. doi: 10.1002/cmdc.202200428

Martin et al. (2023) "Optimized protocols for the characterization of Cas12a activities", Methods Enzymol.  doi: 10.1016/bs.mie.2022.08.048

Dr. Blaine Mooers, Academic Core Director of the COBRE Biomolecular Structure Core, has a new publication, which also acknowledges use of the BSC:

Tsytsykova et al. (2022) "Mutated KLF4(K409Q) in meningioma binds STRs and activates FGF3 gene expression", iScience doi: 10.1016/j.isci.2022.104839

Dr. Rakhi Rajan, former COBRE Project Leader, has two new publications:

Martin et al. (2023) "Optimized protocols for the characterization of Cas12a activities", Methods Enzymol.  doi: 10.1016/bs.mie.2022.08.048

Flusche and Rajan (2022) "Molecular details of DNA integration by CRISPR-associated proteins during adaptation in bacteria and archaea", Adv. Exp. Med. Biol. doi: 10.1007/5584_2022_730

Dr. Christina Bourne, former COBRE Project Leader, has a new publication, which also acknowledges use of the BSC:

Boyer et al. (2022) "Synthesis and characterization of functionalized amino dihydropyrimidines toward the analysis of their antibacterial structure-activity relationships and mechanism of action", ACS Omega doi: 10.1021/acsomega.2c05071

June 2022

Data for the following publication were obtained using instrumentation in the COBRE-supported PPC Core facility:

Kayastha et al. (2022) "EF-hand protein, EfhP, specifically binds Ca2+ and mediates Ca2+ regulation of virulence in a human pathogen Pseudomonas aeruginosa", Sci Rep.  doi: 10.1038/s41598-022-12584-9

Dr. Robert Matts, former COBRE Project Leader, has a new publication:

Peng et al. (2022) "Crystal structure of the middle and C-terminal domains of Hsp90a labeled with a coumarin derivative reveals a potential allosteric binding site as a drug target", Acta Crystallogr D Struct Biol.  doi: 10.1107/S2059798322002261

Dr. Ashlee Rowe, COBRE Project Leader, has a new publication:

George et al. (2022) "Structural and functional characterization of a novel scorpion toxin that inhibits Nav1.8 via interactions with the DI voltage sensor and DII pore module ", Front Pharmacol. doi: 10.3389/fphar.2022.846992

Dr. Rakhi Rajan, former COBRE Project Leader, has a new publication:

Zuo et al. (2022) "Rational engineering of CRISPR-Cas9 nuclease to attenuate position-dependent off-target effects", CRISPR J.  doi: 10.1089/crispr.2021.0076

January 2022

Dr. Christina Bourne,  former COBRE Project Leader, has a new publication:

Snead et al. (2022) "ParD antitoxin hotspot alters a disorder-to-order transition upon binding to its cognate ParE toxin, lessening its interaction affinity and increasing its protease degradation kinetic", Biochemistry  doi: 10.1021/acs.biochem.1c00584

The protein structure reported in the publication was selected for the cover art of the journal issue and can be viewed here.

Dr. Adam Duerfeldt, former COBRE Project Leader, has a new publication:

Bishop et al. (2022) "Identification of ClpP dual isoform disruption as an anti-sporulation strategy for Clostridioides difficile", J. Bact.  doi: 10.1128/JB.00411-21

December 2021

Dr. Rakhi Rajan, former COBRE Project Leader, has a new publication:

Babu et al. (2021) "Coordinated actions of Cas9 HNH and RuvC nuclease domains are regulated by the bridge helix and the target DNA sequence", Biochemistry  doi: 10.1021/acs.biochem.1c00354

Dr. Shanteri Singh,  COBRE Project Leader, has a new publication:

Johnson et al. (2021) "Molecular basis for the substrate promiscuity of isopentenyl phosphate kinase from Candidatus methanomethylophilus alvus", ACS Chem. Biol.  doi: 10.1021/acschembio.1c00655

August 2021

Dr. Blaine Mooers, Academic Core Director of the COBRE Biomolecular Structure Core, has a new publication:

Acquah et al. (2021) "Simulations of promising indolizidine- α 6- β 2 nicotinic acetylcholine receptor complexes", Int J Mol Sci. doi.org/10.3390/ijms22157934 

Dr. Ashlee Rowe, COBRE Project Leader, has a new publication:

Abd El-Aziz et al. (2021) "Identification and characterization of novel proteins from Arizona bark scorpion venom that inhibit Nav1.8, a voltage-gated sodium channel regulator of pain signaling", Toxins doi.org/10.3390/toxins13070501

July 2021

Dr. Jialing Lin, COBRE Project Leader, has a new publication:

Lv et al. (2021) "An amphipathic Bax core dimer forms part of the apoptotic pore wall in the mitochondrial membrane", EMBO J.  doi.org/10.15252/embj.2020106438

Dr. Blaine Mooers, Academic Core Director of the COBRE Biomolecular Structure Core, has two new publications:

Mooers (2021) "A PyMOL snippet library for Jupyter to boost researcher productivity", Computing in Science and Engineering. doi.org/10.1109/MCSE.2021.3059536

Shen et al. (2021) "The L730V/I RET roof mutations display different activities towards pralsetinib and selpercatinib", NPJ Precision Oncology. doi.org/10.1038/s41698-021-00188-x

April 2021

Dr. Rakhi Rajan, former COBRE Project Leader, has a new publication:

Parameshwaran et al. (2021) "The bridge helix of Cas12a imparts selectivity in cis-DNA cleavage and regulates trans-DNA cleavage", FEBS Lett.  doi: 10.1002/1873-3468.14051

March 2021

Dr. Jialing Lin, COBRE Project Leader, has a new publication:

Zhang et al. (2021) "Cysteine-based crosslinking approach for characterization of oligomeric pore-forming proteins in the mitochondrial membrane", Methods Enzymol.  doi.org/10.1016/bs.mie.2021.01.023

Dr. Len Thomas, Facility Director of the COBRE Biomolecular Structure Core has a new publication:

Karsten et al. (2021) "Kinetic, spectral, and structural studies of the slow-binding inhibition of the Escherichia coli dihydrodipicolinate synthase by 2, 4-oxo-pentanoic acid", Arch. Biochem. Biophys.  doi.org/10.1016/j.abb.2021.108819

Dr. Robert Matts, former COBRE Project Leader, has a new publication:

Mishra et al. (2021) "Selective inhibition of the Hsp90a isoform", Angew Chem Intl Ed Eng.  doi: 10.1002/anie.202015422

February 2021

Dr. Christina Bourne, former COBRE Project Leader, has a new publication:

McGillick et al. (2021) "A YoeB toxin cleaves both RNA and DNA", Sci Rep. doi: 10.1038/s41598-021-82950-6

Dr. Marie Hanigan, former COBRE Project Leader, has a new publication:

Terzyan et al. (2021) "Crystal structures of glutathione- and inhibitor-bound human GGT1: Critical interactions within the cysteinylglycine binding site", J. Biol. Chem. doi: 10.1074/jbc.RA120.016265  

Dr. Blaine Mooers, Academic Core Director of the COBRE Biomolecular Structure Core, has two new publications:

Mooers and Brown (2021) "Templates for writing PyMOL scripts", Protein Sci. doi.org/10.1002/pro.3997

Subbiah et al. (2021) "Structural basis of acquired resistance to selpercatinib and pralsetinib mediated by non-gatekeeper RET mutations", Annals Oncol. doi.org/10.1016/j.annonc.2020.10.599

August 2020

Dr. Wei-Qun Ding, former COBRE Project Leader, has a new publication:

Xu et al. (2020) "SRSF1 regulates exosome microRNA enrichment in human cancer cells", Cell Communication and Signaling. doi: 10.1186/s12964-020-00615-9  

Dr. Rakhi Rajan, former COBRE Project Leader, has a new publication:

Van Orden et al. (2020) "CRISPR type II-A subgroups exhibit phylogenetically distinct mechanisms for spacer insertion", J. Biol. Chem. doi: 10.1074/jbc.RA120.013554  

May 2020

Dr. Anne Kasus-Jacobi, former COBRE Project Leader, has a new publication:

Kasus-Jacobi et al. (2020) "Antimicrobial peptides derived from the immune defense protein CAP37 inhibit TLR4 activation by S100A9", Invest. Ophthalmol. Vis. Sci., doi: 10.1167/iovs.61.4.16

Dr. Wei-Qun Ding, COBRE Project Leader, has a new publication:

Xu et al. (2020) "The role of exosomal microRNAs in pancreatic cancer", Stem Cell Investig., doi: 10.21037/sci.2020.02.01   

Dr. Christina Bourne, former COBRE Project Leader, has two new publications:

Ames et al. (2020) "Identifying a molecular mechanism that imparts species-specific toxicity to YoeB toxins", Front. Microbiol. doi: 10.3389/fmicb.2020.00959  

Muddala et al. (2020) "Inhibitor design to target a unique feature in the folate pocket of Staphylococcus aureus dihydrofolate reductase", Eur. J. Med. Chem. doi.org/10.1016/j.ejmech.2020.112412

March 2020

Dr. Shanteri Singh, COBRE Project Leader, has a new publication:

Johnson et al. (2020) "Acceptor substrate determines the donor substrate specificity of an aromatic prenyltransferase: expanding the biocatalytic potential of NphB", Appl. Microbiol. Biotechnol., doi: 10.1007/s00253-020-10529-8     

Dr. Adam Duerfeldt, COBRE Project Leader, has a new publication:

Dou et al. (2020) "Structure-based evolution of a 4-benzyloxy-benzylamino chemotype to provide efficacious, potent, and isoform selective PPARα agonists as leads for retinal disorders",  J. Med. Chem. doi.org/10.1021/acs.jmedchem.9b01189    

February 2020

Dr. Indrajeet Sharma, fomer COBRE Project Leader, has a new publication:

Schlitzer et al. (2020) "A metal-free aromatic cascade for the synthesis of diverse heterocycles", Org. Chem. Front. doi: 10.1039/C9QO01336A        

January 2020

Dr. Augen Pioszak, former COBRE Project Leader, has a new publication:

Lee et al. (2020) "Calcitonin receptor N-glycosylation enhances peptide hormone affinity by controlling receptor dynamics", J. Mol. Biol.  doi.org/10.1016/j.jmb.2020.01.028      

Dr. Jialing Lin, COBRE Project Leader, has a new publication:

Chi et al. (2020) "The carboxyl-terminal sequence of Bim enables Bax activation and killing of unprimed cells", eLife.  doi.org/10.7554/eLife.44525     

December 2019

Dr. Yihan Shao, former COBRE Pilot Project Leader, has a new publication:

Tao et al. (2019) "Constructing spin-adiabatic states for the modeling of spin-crossing reactions. I. A shared-orbital implementation", Int. J. Quantum Chem. doi.org/10.1002/qua.26123     

Dr. Rakhi Rajan, COBRE Project Leader, has a new publication:

Chan et al. (2019) "Crystal structures of an unmodified bacterial tRNA reveal intrinsic structural flexibility and plasticity as general properties of folded tRNAs", RNA, doi:10.1261/rna.073478.119     

November 2019

Dr. Blaine Mooers, Academic Core Director of the COBRE Biomolecular Structure Core, has a new publication:

B.H.M. Mooers (2019) "Shortcuts for faster image creation in PyMOL", Protein Science, doi: 10.1002/pro.3781

October 2019

Dr. Ann West, COBRE PI, has a new publication:

Branscum, K.M., Menon, S.K., Foster, C.A., and West, A.H. (2019) "Insights revealed by the co-crystal structure of the Saccharomyces cerevisiae histidine phosphotransfer protein Ypd1 and the receiver domain of its downstream response regulator Ssk1", Protein Science, doi: 10.1002/pro.3755

Dr. Yihan Shao, COBRE Pilot Project Investigator, has been awarded a four-year R01 grant by the National Institutes of Health:

Project title: "Multiscale modeling of enzymatic reactions and firefly bioluminescence".