Spies MA - Search Results

1

Inhibition of Pseudomonas aeruginosa ExsA DNA-Binding Activity by N-Hydroxybenzimidazoles.

Marsden AE, King JM, Spies MA, Kim OK, Yahr TL. Marsden AE, et al. Among authors: spies ma. Antimicrob Agents Chemother. 2015 Nov 16;60(2):766-76. doi: 10.1128/AAC.02242-15. Print 2016 Feb. Antimicrob Agents Chemother. 2015. PMID: 26574012 Free PMC article.

2

Flooding enzymes: quantifying the contributions of interstitial water and cavity shape to ligand binding using extended linear response free energy calculations.

Whalen KL, Spies MA. Whalen KL, et al. Among authors: spies ma. J Chem Inf Model. 2013 Sep 23;53(9):2349-59. doi: 10.1021/ci400244x. Epub 2013 Sep 6. J Chem Inf Model. 2013. PMID: 24111836 Free PMC article.

3

In silico optimization of a fragment-based hit yields biologically active, high-efficiency inhibitors for glutamate racemase.

Whalen KL, Chau AC, Spies MA. Whalen KL, et al. Among authors: spies ma. ChemMedChem. 2013 Oct;8(10):1681-9. doi: 10.1002/cmdc.201300271. Epub 2013 Aug 8. ChemMedChem. 2013. PMID: 23929705 Free PMC article.

4

Small-molecule inhibitors identify the RAD52-ssDNA interaction as critical for recovery from replication stress and for survival of BRCA2 deficient cells.

Hengel SR, Malacaria E, Folly da Silva Constantino L, Bain FE, Diaz A, Koch BG, Yu L, Wu M, Pichierri P, Spies MA, Spies M. Hengel SR, et al. Among authors: spies m, spies ma. Elife. 2016 Jul 19;5:e14740. doi: 10.7554/eLife.14740. Elife. 2016. PMID: 27434671 Free PMC article.

5

Small-Molecule Inhibitors Targeting DNA Repair and DNA Repair Deficiency in Research and Cancer Therapy.

Hengel SR, Spies MA, Spies M. Hengel SR, et al. Among authors: spies m, spies ma. Cell Chem Biol. 2017 Sep 21;24(9):1101-1119. doi: 10.1016/j.chembiol.2017.08.027. Cell Chem Biol. 2017. PMID: 28938088 Free PMC article. Review.

6

An Atomistic Understanding of Allosteric Inhibition of Glutamate Racemase: a Dampening of Native Activation Dynamics.

Witkin KR, Vance NR, Caldwell C, Li Q, Yu L, Spies MA. Witkin KR, et al. Among authors: spies ma. ChemMedChem. 2020 Feb 17;15(4):376-384. doi: 10.1002/cmdc.201900642. Epub 2020 Jan 21. ChemMedChem. 2020. PMID: 31876113 Free PMC article.

7

Integrating Experimental and In Silico HTS in the Discovery of Inhibitors of Protein-Nucleic Acid Interactions.

Li Q, Folly da Silva Constantino L, Spies MA. Li Q, et al. Among authors: spies ma. Methods Enzymol. 2018;601:243-273. doi: 10.1016/bs.mie.2017.11.036. Epub 2018 Feb 28. Methods Enzymol. 2018. PMID: 29523234 Free PMC article.

8

Biosynthesis of a Novel Glutamate Racemase Containing a Site-Specific 7-Hydroxycoumarin Amino Acid: Enzyme-Ligand Promiscuity Revealed at the Atomistic Level.

Dean SF, Whalen KL, Spies MA. Dean SF, et al. Among authors: spies ma. ACS Cent Sci. 2015 Oct 28;1(7):364-373. doi: 10.1021/acscentsci.5b00211. Epub 2015 Sep 18. ACS Cent Sci. 2015. PMID: 26539562 Free PMC article.

9

Elucidating the Catalytic Power of Glutamate Racemase by Investigating a Series of Covalent Inhibitors.

Vance NR, Witkin KR, Rooney PW, Li Y, Pope M, Spies MA. Vance NR, et al. Among authors: spies ma. ChemMedChem. 2018 Dec 6;13(23):2514-2521. doi: 10.1002/cmdc.201800592. Epub 2018 Nov 21. ChemMedChem. 2018. PMID: 30264520 Free PMC article.

10

Allosteric Tuning of Caspase-7: Establishing the Nexus of Structure and Catalytic Power.

Hobbs KF, Propp J, Vance NR, Kalenkiewicz A, Witkin KR, Ashley Spies M. Hobbs KF, et al. Chemistry. 2023 Jul 14;29(40):e202300872. doi: 10.1002/chem.202300872. Epub 2023 May 19. Chemistry. 2023. PMID: 37005499 Free PMC article.

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