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2. Mycobacterium tuberculosis IMPDH in Complexes with Substrates, Products and Antitubercular Compounds.

Author

Magdalena Makowska-Grzyska, Youngchang Kim, Suresh Kumar Gorla, Yang Wei, Kavitha Mandapati, Minjia Zhang, Natalia Maltseva, Gyan Modi, Helena I Boshoff, Minyi Gu, Courtney Aldrich, Gregory D Cuny, Lizbeth Hedstrom, and Andrzej Joachimiak

Subjects
Medicine, Science
Abstract

Tuberculosis (TB) remains a worldwide problem and the need for new drugs is increasingly more urgent with the emergence of multidrug- and extensively-drug resistant TB. Inosine 5'-monophosphate dehydrogenase 2 (IMPDH2) from Mycobacterium tuberculosis (Mtb) is an attractive drug target. The enzyme catalyzes the conversion of inosine 5'-monophosphate into xanthosine 5'-monophosphate with the concomitant reduction of NAD+ to NADH. This reaction controls flux into the guanine nucleotide pool. We report seventeen selective IMPDH inhibitors with antitubercular activity. The crystal structures of a deletion mutant of MtbIMPDH2 in the apo form and in complex with the product XMP and substrate NAD+ are determined. We also report the structures of complexes with IMP and three structurally distinct inhibitors, including two with antitubercular activity. These structures will greatly facilitate the development of MtbIMPDH2-targeted antibiotics.

Published
2015
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3. Confronting Racism in Chemistry Journals.

Author

Cynthia J. Burrows, Jiaxing Huang 0002, Shu Wang, Hyun Jae Kim, Gerald J. Meyer, Kirk Schanze, T. Randall Lee, Jodie L. Lutkenhaus, David Kaplan, Christopher Jones, Carolyn R. Bertozzi, Laura Kiessling, Mary Beth Mulcahy, Craig Lindsley, M. G. Finn, Joel D. Blum, Prashant Kamat, Wonyong Choi, Shane Snyder, Courtney Aldrich, Stuart Rowan, Bin Liu, Dennis Liotta, Paul S. Weiss, Deqing Zhang, Krishna N. Ganesh, Harry A. Atwater, J. Justin Gooding, David T. Allen, Christopher A. Voigt, Jonathan V. Sweedler, Alanna Schepartz, Vincent Rotello, Sébastien Lecommandoux, Shana J. Sturla, Sharon Hammes-Schiffer, Jillian Buriak, Jonathan W. Steed, Hongwei Wu, Julie Zimmerman, Bryan Brooks, Phillip Savage, William Tolman, Thomas F. Hofmann, Joan F. Brennecke, Thomas A. Holme, Kenneth M. Merz Jr., Gustavo Scuseria, William Jorgensen, Gunda I. Georg, Shaomeng Wang, Philip Proteau, John R. Yates, Peter Stang, Gilbert C. Walker, Marc Hillmyer, Lynne S. Taylor, Teri W. Odom, Erick Carreira, Kai Rossen, Paul Chirik, Scott J. Miller, Joan-Emma Shea, Anne McCoy, Martin Zanni, Gregory Hartland, Gregory Scholes, Joseph A. Loo, James Milne, Sarah B. Tegen, Daniel T. Kulp, and Julia Laskin

Published
2020
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4. Update to Our Reader, Reviewer, and Author Communities - April 2020.

Author

Cynthia J. Burrows, Shu Wang, Hyun Jae Kim, Gerald J. Meyer, Kirk Schanze, T. Randall Lee, Jodie L. Lutkenhaus, David Kaplan, Christopher Jones, Carolyn R. Bertozzi, Laura Kiessling, Mary Beth Mulcahy, Craig Lindsley, M. G. Finn, Joel D. Blum, Prashant Kamat, Courtney Aldrich, Stuart Rowan, Bin Liu, Dennis Liotta, Paul S. Weiss, Deqing Zhang, Krishna N. Ganesh, Patrick M. Sexton, Harry A. Atwater, J. Justin Gooding, David T. Allen, Christopher A. Voigt, Jonathan V. Sweedler, Alanna Schepartz, Vincent Rotello, Sébastien Lecommandoux, Shana J. Sturla, Sharon Hammes-Schiffer, Jillian Buriak, Jonathan W. Steed, Hongwei Wu, Julie Zimmerman, Bryan Brooks, Phillip Savage, William Tolman, Thomas F. Hofmann, Joan F. Brennecke, Thomas A. Holme, Kenneth M. Merz Jr., Gustavo Scuseria, William Jorgensen, Gunda I. Georg, Shaomeng Wang, Philip Proteau, John R. Yates, Peter Stang, Gilbert C. Walker, Marc Hillmyer, Lynne S. Taylor, Teri W. Odom, Erick Carreira, Kai Rossen, Paul Chirik, Scott J. Miller, Anne McCoy, Joan-Emma Shea, Martin Zanni, Catherine Murphy, Gregory Scholes, and Joseph A. Loo

Published
2020
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5. Two‐way regulation of protein expression for identification and validation of on‐target inhibitors of Mycobacterium tuberculosis

Author

Shipra Grover, Curtis A. Engelhart, Esther Perez‐Herran, Divya Tiwari, Wei Li, Katherine A. Abrahams, Kadamba Papavinasasundaram, James M. Bean, Christopher M. Sassetti, Alfonso Mendoza‐Losana, Gurdyal S. Besra, Mary Jackson, Courtney Aldrich, and Dirk Schnappinger

Subjects
Genetics, Molecular Biology, Biochemistry, Biotechnology
Published
2022
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7. Synthesis of GTP-derived Ras ligands

Author

Lars Kissau, Oliver Daumke, Herbert Waldmann, Robert Gail, Alfred Wittinghofer, Courtney Aldrich, and Laurent Soulère

Subjects
chemistry.chemical_classification, GTP', Stereochemistry, Organic Chemistry, Substituent, Molecular Conformation, food and beverages, Ligands, Biochemistry, Combinatorial chemistry, Small molecule, Binding, Competitive, Guanosine Diphosphate, chemistry.chemical_compound, chemistry, ras Proteins, Molecular Medicine, Bioorganic chemistry, Nucleotide, Guanosine Triphosphate, Signal transduction, Molecular Biology
Abstract

A practical and convenient method for the synthesis of acid- and base-sensitive GTP analogues carrying a further substituent at the terminal phosphate has been developed. Key to the successful synthesis of these potential ligands of the Ras protein is the use of Pd0-sensitive allyl protecting groups in a one-pot synthesis that avoids evaporation steps. Initial biochemical analysis of a representative compound revealed that such GTP analogues can bind to Ras and might open up the possibility of developing small molecules that can act as deactivators of oncogenic Ras.

Published
2004

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