Structural Basis for Inhibitor Potency and Selectivity of Plasmodium falciparum Phosphatidylinositol 4‑Kinase Inhibitors von Fienberg, Stephen, Eyermann, Charles J, Arendse, Lauren B, Basarab, Gregory S, McPhail, Jacob A, Burke, John E, Chibale, Kelly

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Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors von Boby, Melissa L, Fearon, Daren, Ferla, Matteo, Filep, Mihajlo, Koekemoer, Lizbé, Robinson, Matthew C, Chodera, John D, Lee, Alpha A, London, Nir, von Delft, Annette, von Delft, Frank, Achdout, Hagit, Aimon, Anthony, Alonzi, Dominic S, Arbon, Robert, Aschenbrenner, Jasmin C, Balcomb, Blake H, Bar-David, Elad, Barr, Haim, Ben-Shmuel, Amir, Bennett, James, Bilenko, Vitaliy A, Borden, Bruce, Boulet, Pascale, Bowman, Gregory R, Brewitz, Lennart, Brun, Juliane, Bvnbs, Sarma, Calmiano, Mark, Carbery, Anna, Carney, Daniel W, Cattermole, Emma, Chang, Edcon, Chernyshenko, Eugene, Clyde, Austin, Coffland, Joseph E, Cohen, Galit, Cole, Jason C, Contini, Alessandro, Cox, Lisa, Croll, Tristan Ian, Cvitkovic, Milan, De Jonghe, Steven, Dias, Alex, Donckers, Kim, Dotson, David L, Douangamath, Alice, Duberstein, Shirly, Dudgeon, Tim, Dunnett, Louise E, Eastman, Peter, Erez, Noam, Eyermann, Charles J, Fairhead, Michael, Fate, Gwen, Fedorov, Oleg, Fernandes, Rafaela S, Ferrins, Lori, Foster, Richard, Foster, Holly, Fraisse, Laurent, Gabizon, Ronen, García-Sastre, Adolfo, Gawriljuk, Victor O, Gehrtz, Paul, Gileadi, Carina, Giroud, Charline, Glass, William G, Glen, Robert C, Glinert, Itai, Godoy, Andre S, Gorichko, Marian, Gorrie-Stone, Tyler, Griffen, Ed J, Haneef, Amna, Hassell Hart, Storm, Heer, Jag, Henry, Michael, Hill, Michelle, Horrell, Sam, Huang, Qiu Yu Judy, Huliak, Victor D, Hurley, Matthew F D, Israely, Tomer, Jajack, Andrew, Jansen, Jitske, Jnoff, Eric, Jochmans, Dirk, John, Tobias, Kaminow, Benjamin, Kang, Lulu, Kantsadi, Anastassia L, Kenny, Peter W, Kiappes, J L, Kinakh, Serhii O, Kovar, Boris, Krojer, Tobias, La, Van Ngoc Thuy, Laghnimi-Hahn, Sophie, Lefker, Bruce A

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Lerisetron Analogues with Antimalarial Properties: Synthesis, Structure–Activity Relationship Studies, and Biological Assessment von Mueller, Rudolf, Reddy, Virsinha, Nchinda, Aloysius T, Mebrahtu, Fanuel, Taylor, Dale, Lawrence, Nina, Tanner, Lloyd, Barnabe, Marine, Eyermann, Charles J, Zou, Bin, Kondreddi, Ravinder R, Lakshminarayana, Suresh B, Rottmann, Matthias, Street, Leslie J, Chibale, Kelly

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Plasmodial Kinase Inhibitors: License to Cure? von Cabrera, Diego González, Horatscheck, André, Wilson, Colin R, Basarab, Greg, Eyermann, Charles J, Chibale, Kelly

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Spiropyrimidinetrione DNA Gyrase Inhibitors with Potent and Selective Antituberculosis Activity von Govender, Preshendren, Müller, Rudolf, Singh, Kawaljit, Reddy, Virsinha, Eyermann, Charles J., Fienberg, Stephen, Ghorpade, Sandeep R., Koekemoer, Lizbé, Myrick, Alissa, Schnappinger, Dirk, Engelhart, Curtis, Meshanni, Jaclynn, Byl, Jo Ann W., Osheroff, Neil, Singh, Vinayak, Chibale, Kelly, Basarab, Gregory S.

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Pyrazolopyrimidines Establish MurC as a Vulnerable Target in Pseudomonas aeruginosa and Escherichia coli von Hameed P, Shahul, Manjrekar, Praveena, Chinnapattu, Murugan, Humnabadkar, Vaishali, Shanbhag, Gajanan, Kedari, Chaitanyakumar, Mudugal, Naina Vinay, Ambady, Anisha, de Jonge, Boudewijn L.M, Sadler, Claire, Paul, Beena, Sriram, Shubha, Kaur, Parvinder, Guptha, Supreeth, Raichurkar, Anandkumar, Fleming, Paul, Eyermann, Charles J, McKinney, David C, Sambandamurthy, Vasan K, Panda, Manoranjan, Ravishankar, Sudha

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Antibacterial Spiropyrimidinetriones with N‑Linked Azole Substituents on a Benzisoxazole Scaffold Targeting DNA Gyrase von Basarab, Gregory S, Doig, Peter, Eyermann, Charles J, Galullo, Vincent, Kern, Gunther, Kimzey, Amy, Kutschke, Amy, Morningstar, Marshall, Schuck, Virna, Vishwanathan, Karthick, Zhou, Fei, Gowravaram, Madhusudhan, Hauck, Sheila

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High-Throughput Crystallography Reveals Boron-Containing Inhibitors of a Penicillin-Binding Protein with Di- and Tricovalent Binding Modes von Newman, Hector, Krajnc, Alen, Bellini, Dom, Eyermann, Charles J, Boyle, Grant A, Paterson, Neil G, McAuley, Katherine E, Lesniak, Robert, Gangar, Mukesh, von Delft, Frank, Brem, Jürgen, Chibale, Kelly, Schofield, Christopher J, Dowson, Christopher G

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Identification, Characterization, and Optimization of 2,8-Disubstituted-1,5-naphthyridines as Novel Plasmodium falciparum Phosphatidylinositol-4-kinase Inhibitors with in Vivo Effi... von Kandepedu, Nishanth, Gonzàlez Cabrera, Diego, Eedubilli, Srinivas, Taylor, Dale, Brunschwig, Christel, Gibhard, Liezl, Njoroge, Mathew, Lawrence, Nina, Paquet, Tanya, Eyermann, Charles J, Spangenberg, Thomas, Basarab, Gregory S, Street, Leslie J, Chibale, Kelly

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Probing the Requirements for Dual Angiotensin-Converting Enzyme C‑Domain Selective/Neprilysin Inhibition von Arendse, Lauren B, Cozier, Gyles E, Eyermann, Charles J, Basarab, Gregory S, Schwager, Sylva L, Chibale, Kelly, Acharya, K. Ravi, Sturrock, Edward D

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1,3-Diarylpyrazolyl-acylsulfonamides as Potent Anti-tuberculosis Agents Targeting Cell Wall Biosynthesis in Mycobacterium tuberculosis von Khonde, Lutete Peguy, Müller, Rudolf, Boyle, Grant A, Reddy, Virsinha, Nchinda, Aloysius T, Eyermann, Charles J, Fienberg, Stephen, Singh, Vinayak, Myrick, Alissa, Abay, Efrem, Njoroge, Mathew, Lawrence, Nina, Su, Qin, Myers, Timothy G, Boshoff, Helena I. M, Barry, Clifton E, Sirgel, Frederick A, van Helden, Paul D, Massoudi, Lisa M, Robertson, Gregory T, Lenaerts, Anne J, Basarab, Gregory S, Ghorpade, Sandeep R, Chibale, Kelly

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Novel N-Linked Aminopiperidine Inhibitors of Bacterial Topoisomerase Type II: Broad-Spectrum Antibacterial Agents with Reduced hERG Activity von Reck, Folkert, Alm, Richard, Brassil, Patrick, Newman, Joseph, DeJonge, Boudewijn, Eyermann, Charles J, Breault, Gloria, Breen, John, Comita-Prevoir, Janelle, Cronin, Mark, Davis, Hajnalka, Ehmann, David, Galullo, Vincent, Geng, Bolin, Grebe, Tyler, Morningstar, Marshall, Walker, Phil, Hayter, Barry, Fisher, Stewart

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Discovery of Novel, Potent Inhibitors of Hydroxy Acid Oxidase 1 (HAO1) Using DNA-Encoded Chemical Library Screening von Lee, Esther C. Y, McRiner, Andrew J, Georgiadis, Katy E, Liu, Julie, Wang, Zooey, Ferguson, Andrew D, Levin, Benjamin, von Rechenberg, Moritz, Hupp, Christopher D, Monteiro, Michael I, Keefe, Anthony D, Olszewski, Allison, Eyermann, Charles J, Centrella, Paolo, Liu, Yanbin, Arora, Shilpi, Cuozzo, John W, Zhang, Ying, Clark, Matthew A, Huguet, Christelle, Kohlmann, Anna

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Rational Design of Potent, Bioavailable, Nonpeptide Cyclic Ureas as HIV Protease Inhibitors von Patrick Y. S. Lam, Jahdav, Prabhakar K., Eyermann, Charles J., Hodge, C. Nicholas, Ru, Yu, Bacheler, Lee T., Meek, James L., Otto, Michael J., Rayner, Marlene M., Wong, Y. Nancy, Chang, Chong-Hwan, Weber, Patricia C., Jackson, David A., Sharpe, Thomas R., Erickson-Viitanen, Susan

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Identification of 4-Substituted 1,2,3-Triazoles as Novel Oxazolidinone Antibacterial Agents with Reduced Activity against Monoamine Oxidase A von Reck, Folkert, Zhou, Fei, Girardot, Marc, Kern, Gunther, Eyermann, Charles J, Hales, Neil J, Ramsay, Rona R, Gravestock, Michael B

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Antimalarial Lead-Optimization Studies on a 2,6-Imidazopyridine Series within a Constrained Chemical Space To Circumvent Atypical Dose–Response Curves against Multidrug Resistant P... von Le Manach, Claire, Paquet, Tanya, Wicht, Kathryn, Nchinda, Aloysius T, Brunschwig, Christel, Njoroge, Mathew, Gibhard, Liezl, Taylor, Dale, Lawrence, Nina, Wittlin, Sergio, Eyermann, Charles J, Basarab, Gregory S, Duffy, James, Fish, Paul V, Street, Leslie J, Chibale, Kelly

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Antitubercular 2-Pyrazolylpyrimidinones: Structure-Activity Relationship and Mode-of-Action Studies von de Melo, Candice Soares, Singh, Vinayak, Myrick, Alissa, Simelane, Sandile B., Taylor, Dale, Brunschwig, Christel, Lawrence, Nina, Schnappinger, Dirk, Engelhart, Curtis A., Kumar, Anuradha, Parish, Tanya, Su, Qin, Myers, Timothy G., Boshoff, Helena I. M., Barry, Clifton E., Sirgel, Frederick A., van Helden, Paul D., Buchanan, Kirsteen, Bayliss, Tracy, Green, Simon R., Ray, Peter C., Wyatt, Paul G., Basarab, Gregory S., Eyermann, Charles J., Chibale, Kelly, Ghorpade, Sandeep R.

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X‑ray Crystal Structures of Escherichia coli RNA Polymerase with Switch Region Binding Inhibitors Enable Rational Design of Squaramides with an Improved Fraction Unbound to Human P... von Molodtsov, Vadim, Fleming, Paul R, Eyermann, Charles J, Ferguson, Andrew D, Foulk, Melinda A, McKinney, David C, Masse, Craig E, Buurman, Ed T, Murakami, Katsuhiko S

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Exploring Left-Hand-Side substitutions in the benzoxazinone series of 4-amino-piperidine bacterial type IIa topoisomerase inhibitors von Geng, Bolin, Comita-Prevoir, Janelle, Eyermann, Charles J., Reck, Folkert, Fisher, Stewart

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Genetic and chemical validation identifies Mycobacterium tuberculosis topoisomerase I as an attractive anti-tubercular target von Ravishankar, Sudha, Ambady, Anisha, Awasthy, Disha, Mudugal, Naina Vinay, Menasinakai, Sreenivasaiah, Jatheendranath, Sandesh, Guptha, Supreeth, Sharma, Sreevalli, Balakrishnan, Gayathri, Nandishaiah, Radha, Ramachandran, Vasanthi, Eyermann, Charles J, Reck, Folkert, Rudrapatna, Suresh, Sambandamurthy, Vasan K, Sharma, Umender K

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