Year 2024 - 2021

Publications

2024

The structure of Mycobacterium thermoresistibile MmpS5 reveals a conserved disulfide bond across mycobacteria. Cuthbert BJ, Mendoza J, de Miranda R, Papavinasasundaram K, Sassetti CM, Goulding CW.  Metallomics. 2024 Mar 12;16(3):mfae011. doi: 10.1093/mtomcs/mfae011. PMID: 38425033; PMCID: PMC10929441.

2023

1. Peptidyl tRNA Hydrolase Is Required for Robust Prolyl-tRNA Turnover in Mycobacterium tuberculosis. Tomasi FG, Schweber JTP, Kimura S, Zhu J, Cleghorn LAT, Davis SH, Green SR, Waldor MK, Rubin EJ. mBio. 2023 Feb 28;14(1):e0346922. doi: 10.1128/mbio.03469-22. Epub 2023 Jan 25. PMID: 36695586; PMCID: PMC9973355

2. Discovery of natural-product-derived sequanamycins as potent oral anti-tuberculosis agents. Zhang J, Lair C, Roubert C, Amaning K, Barrio MB, Benedetti Y, Cui Z, Xing Z, Li X, Franzblau SG, Baurin N, Bordon-Pallier F, Cantalloube C, Sans S, Silve S, Blanc I, Fraisse L, Rak A, Jenner LB, Yusupova G, Yusupov M, Zhang J, Kaneko T, Yang TJ, Fotouhi N, Nuermberger E, Tyagi S, Betoudji F, Upton A, Sacchettini JC, Lagrange S. Cell. 2023 Mar 2;186(5):1013-1025.e24. doi: 10.1016/j.cell.2023.01.043. Epub 2023 Feb 23. PMID: 36827973; PMCID: PMC9994261.

3. Structure and dynamics of the essential endogenous mycobacterial polyketide synthase Pks13. Kim SK, Dickinson MS, Finer-Moore J, Guan Z, Kaake RM, Echeverria I, Chen J, Pulido EH, Sali A, Krogan NJ, Rosenberg OS, Stroud RM. Nat Struct Mol Biol. 2023 Mar;30(3):296-308. doi: 10.1038/s41594-022-00918-0. Epub 2023 Feb 13. PMID: 36782050; PMCID: PMC10312659

4. DAIKON: A Data Acquisition, Integration, and Knowledge Capture Web Application for Target-Based Drug Discovery. Rath S, Panda S, Sacchettini JC, Berthel SJ. ACS Pharmacol Transl Sci. 2023 Jun 22;6(7):1043-1051. doi: 10.1021/acsptsci.3c00034. PMID: 37470023; PMCID: PMC10353056.

5. Mycobacterium tuberculosis PptT Inhibitors Based on Heterocyclic Replacements of Amidinoureas. Ottavi S, Li K, Cacioppo JG, Perkowski AJ, Ramesh R, Gold BS, Ling Y, Roberts J, Singh A, Zhang D, Mosior J, Goullieux L, Roubert C, Bacqué E, Sacchettini JC, Nathan CF, Aubé J. ACS Med Chem Lett. 2023 Jun 26;14(7):970-976. doi: 10.1021/acsmedchemlett.3c00162. PMID: 37465309; PMCID: PMC10351052.

6. The Rip1 intramembrane protease contributes to iron and zinc homeostasis in Mycobacterium tuberculosis. mSphere. Nelson SJ, Williams JT, Buglino JA, Nambi S, Lojek LJ, Glickman MS, Ioerger TR, Sassetti CM. 2023 Aug 24;8(4):e0038922. doi: 10.1128/msphere.00389-22. Epub 2023 Jun 15. PMID: 37318217; PMCID: PMC10449499.

7. Differentiating the roles of Mycobacterium tuberculosis substrate binding proteins, FecB and FecB2, in iron uptake. PLoS Pathog. de Miranda R, Cuthbert BJ, Klevorn T, Chao A, Mendoza J, Arbing M, Sieminski PJ, Papavinasasundaram K, Abdul-Hafiz S, Chan S, Sassetti CM, Ehrt S, Goulding CW. 2023 Sep 25;19(9):e1011650. doi: 10.1371/journal.ppat.1011650. PMID: 37747938; PMCID: PMC10553834.

2022

6. Label-free affinity screening, design and synthesis of inhibitors targeting the Mycobacterium tuberculosis L-alanine dehydrogenase. Kim HB, Bacik JP, Wu R, Jha RK, Hebron M, Triandafillou C, McCown JE, Baek NI, Kim JH, Kim YJ, Goulding CW, Strauss CEM, Schmidt JG, Shetye GS, Ryoo S, Jo EK, Jeon YH, Hung LW, Terwilliger TC, Kim CY. PLoS One. 2022 Nov 17;17(11):e0277670. doi: 10.1371/journal.pone.0277670. Collection 2022. PMID: 36395154 

7. 1,3-Diarylpyrazolyl-acylsulfonamides Target HadAB/BC Complex in Mycobacterium tuberculosis. Singh V, Grzegorzewicz AE, Fienberg S, Müller R, Khonde LP, Sanz O, Alfonso S, Urones B, Drewes G, Bantscheff M, Ghidelli-Disse S, Ioerger TR, Angala B, Liu J, Lee RE, Sacchettini JC, Krieger IV, Jackson M, Chibale K, Ghorpade SR. ACS Infect Dis. 2022 Nov 11;8(11):2315-2326. doi: 10.1021/acsinfecdis.2c00392. Epub 2022 Nov 3. PMID: 36325756

8. Failing upwards: Genetics-based strategies to improve antibiotic discovery and efficacy in Mycobacterium tuberculosis. Tomasi FG, Rubin EJ. Front Cell Infect Microbiol. 2022 Sep 15;12:932556. doi: 10.3389/fcimb.2022.932556. eCollection 2022. PMID: 36189351. PMCID: PMC9519881. 

9. A tRNA-Acetylating Toxin and Detoxifying Enzyme in Mycobacterium tuberculosis. Tomasi FG, Hall AMJ, Schweber JTP, Dulberger CL, McGowen K, Liu Q, Fortune SM, Helaine S, Rubin EJ. Microbiol Spectr. 2022 Jun 29;10(3):e0058022. doi: 10.1128/spectrum.00580-22. Epub 2022 May 31. PMID: 35638832. PMCID: PMC9241777

10. Leaks in the Pipeline: a Failure Analysis of Gram-Negative Antibiotic Development from 2010 to 2020. Prasad NK, Seiple IB, Cirz RT, Rosenberg OS. Antimicrob Agents Chemother. 2022 May 7;66(5):e0005422. doi: 10.1128/aac.00054-22. Epub 2022 Apr 26. PMID: 35471042

11. Chemical-genetic interaction mapping links carbon metabolism and cell wall structure to tuberculosis drug efficacy. Koh EI, Oluoch PO, Ruecker N, Proulx MK, Soni V, Murphy KC, Papavinasasundaram K, Reames CJ, Trujillo C, Zaveri A, Zimmerman MD, Aslebagh R, Baker RE, Shaffer SA, Guinn KM, Fitzgerald M, Dartois V, Ehrt S, Hung DT, Ioerger TR, Rubin EJ, Rhee KY, Schnappinger D, Sassetti CM. Proc Natl Acad Sci U S A. 2022 Apr 12;119(15):e2201632119. doi: 10.1073/pnas.2201632119. Epub 2022 Apr 5. PMID: 35380903

12. In Vitro and In Vivo Inhibition of the Mycobacterium tuberculosis Phosphopantetheinyl Transferase PptT by Amidinoureas. Ottavi S, Scarry SM, Mosior J, Ling Y, Roberts J, Singh A, Zhang D, Goullieux L, Roubert C, Bacqué E, Lagiakos HR, Vendome J, Moraca F, Li K, Perkowski AJ, Ramesh R, Bowler MM, Tracy W, Feher VA, Sacchettini JC, Gold BS, Nathan CF, Aubé J. J Med Chem. 2022 Feb 10;65(3):1996-2022. doi: 10.1021/acs.jmedchem.1c01565. Epub 2022 Jan 19. PMID: 35044775 

13. Structural Assembly of Qβ Virion and Its Diverse Forms of Virus-like Particles. Chang JY, Gorzelnik KV, Thongchol J, Zhang J. Viruses. 2022 Jan 24;14(2):225. doi: 10.3390/v14020225. PMID: 35215818 

14. Interplay between an ATP-binding cassette F protein and the ribosome from Mycobacterium tuberculosis. Cui Z, Li X, Shin J, Gamper H, Hou YM, Sacchettini JC, Zhang J. Nat Commun. 2022 Jan 21;13(1):432. doi: 10.1038/s41467-022-28078-1. PMID: 35064151

15. Optimization of TAM16, a Benzofuran That Inhibits the Thioesterase Activity of Pks13; Evaluation toward a Preclinical Candidate for a Novel Antituberculosis Clinical Target. Wilson C, Ray P, Zuccotto F, Hernandez J, Aggarwal A, Mackenzie C, Caldwell N, Taylor M, Huggett M, Mathieson M, Murugesan D, Smith A, Davis S, Cocco M, Parai MK, Acharya A, Tamaki F, Scullion P, Epemolu O, Riley J, Stojanovski L, Lopez-Román EM, Torres-Gómez PA, Toledo AM, Guijarro-Lopez L, Camino I, Engelhart CA, Schnappinger D, Massoudi LM, Lenaerts A, Robertson GT, Walpole C, Matthews D, Floyd D, Sacchettini JC, Read KD, Encinas L, Bates RH, Green SR, Wyatt PG. J Med Chem. 2022 Jan 13;65(1):409-423. doi: 10.1021/acs.jmedchem.1c01586. Epub 2021 Dec 15. PMID: 34910486

2021

16. Spatiotemporal localization of proteins in mycobacteria. Zhu J, Wolf ID, Dulberger CL, Won HI, Kester JC, Judd JA, Wirth SE, Clark RR, Li Y, Luo Y, Gray TA, Wade JT, Derbyshire KM, Fortune SM, Rubin EJ. Cell Rep. 2021 Dec 28;37(13):110154. doi: 10.1016/j.celrep.2021.110154. PMID: 34965429. PMCID: PMC8861988.

17. Characterization of Phosphopantetheinyl Hydrolase from Mycobacterium tuberculosis. Pandey S, Singh A, Yang G, d’Andrea FB, Jiang X, Hartman TE, Mosior JW, Bourland R, Gold B, Roberts J, Geiger A, Tang S, Rhee K, Ouerfelli O, Sacchettini JC, Nathan CF, Burns-Huang K. Microbiol Spectr. 2021 Oct 1;9(2):e0092821. doi: 10.1128/Spectrum.00928-21. Epub 2021 Sep 22. PMID: 34550010

18. Mechanism-Based Inactivation of Mycobacterium tuberculosis Isocitrate Lyase 1 by (2R,3S)-2-Hydroxy-3-(nitromethyl)succinic acid. Mellott DM, Torres D, Krieger IV, Cameron SA, Moghadamchargari Z, Laganowsky A, Sacchettini JC, Meek TD, Harris LD. J Am Chem Soc. 2021 Oct 27;143(42):17666-17676. doi: 10.1021/jacs.1c07970. Epub 2021 Oct 19. PMID: 34664502

19. Metabolic bifunctionality of Rv0812 couples folate and peptidoglycan biosynthesis in Mycobacterium tuberculosis. Black KA, Duan L, Mandyoli L, Selbach BP, Xu W, Ehrt S, Sacchettini JC, Rhee KY. J Exp Med. 2021 Jul 5;218(7):e20191957. doi: 10.1084/jem.20191957. Epub 2021 May 5. PMID: 33950161

20. CryoEM and AI reveal a structure of SARS-CoV-2 Nsp2, a multifunctional protein involved in key host processes. Gupta M, Azumaya CM, Moritz M, Pourmal S, Diallo A, Merz GE, Jang G, Bouhaddou M, Fossati A, Brilot AF, Diwanji D, Hernandez E, Herrera N, Kratochvil HT, Lam VL, Li F, Li Y, Nguyen HC, Nowotny C, Owens TW, Peters JK, Rizo AN, Schulze-Gahmen U, Smith AM, Young ID, Yu Z, Asarnow D, Billesbølle C, Campbell MG, Chen J, Chen KH, Chio US, Dickinson MS, Doan L, Jin M, Kim K, Li J, Li YL, Linossi E, Liu Y, Lo M, Lopez J, Lopez KE, Mancino A, Moss FR, Paul MD, Pawar KI, Pelin A, Pospiech TH, Puchades C, Remesh SG, Safari M, Schaefer K, Sun M, Tabios MC, Thwin AC, Titus EW, Trenker R, Tse E, Tsui TKM, Wang F, Zhang K, Zhang Y, Zhao J, Zhou F, Zhou Y, Zuliani-Alvarez L; QCRG Structural Biology Consortium; Agard DA, Cheng Y, Fraser JS, Jura N, Kortemme T, Manglik A, Southworth DR, Stroud RM, Swaney DL, Krogan NJ, Frost A, Rosenberg OS, Verba KA. bioRxiv. 2021 May 11:2021.05.10.443524. doi: 10.1101/2021.05.10.443524. Preprint. PMID: 34013269

21. Metabolic fluxes for nutritional flexibility of Mycobacterium tuberculosis. Borah K, Mendum TA, Hawkins ND, Ward JL, Beale MH, Larrouy-Maumus G, Bhatt A, Moulin M, Haertlein M, Strohmeier G, Pichler H, Forsyth VT, Noack S, Goulding CW, McFadden J, Beste DJV. Mol Syst Biol. 2021 May;17(5):e10280. doi: 10.15252/msb.202110280. PMID: 33943004

22. Cryo-EM reveals infection steps of single-stranded RNA bacteriophages. Gorzelnik KV, Zhang J. Prog Biophys Mol Biol. 2021 Mar;160:79-86. doi: 10.1016/j.pbiomolbio.2020.07.011. Epub 2020 Aug 22. PMID: 32841651

23. Structural and Molecular Dynamics of Mycobacterium tuberculosis Malic Enzyme, a Potential Anti-TB Drug Target. Burley KH, Cuthbert BJ, Basu P, Newcombe J, Irimpan EM, Quechol R, Foik IP, Mobley DL, Beste DJV, Goulding CW. ACS Infect Dis. 2021 Jan 8;7(1):174-188. doi: 10.1021/acsinfecdis.0c00735. Epub 2020 Dec 23. PMID: 33356117