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2021

Shen, Y., Li, F., Szewczyk, M. M., Halabelian, L., Chau, I., Eram, M. S., Seña, Cdela, Park, K. - S., Meng, F., Chen, H., Zeng, H., Dong, A., Wu, H., Trush, V. V., McLeod, D., Zepeda-Velázquez, C. A., Campbell, R. M., Mader, M. M., Watson, B. M., Schapira, M., Arrowsmith, C. H., Al-awar, R., Barsyte-Lovejoy, D., H Kaniskan, Ü., Brown, P. J., Vedadi, M., and Jin, J. (2021) A First-in-Class, Highly Selective and Cell-Active Allosteric Inhibitor of Protein Arginine Methyltransferase 6. J Med Chem. 64, 3697-3706

Shen, Y., Li, F., Szewczyk, M. M., Halabelian, L., Chau, I., Eram, M. S., Seña, Cdela, Park, K. - S., Meng, F., Chen, H., Zeng, H., Dong, A., Wu, H., Trush, V. V., McLeod, D., Zepeda-Velázquez, C. A., Campbell, R. M., Mader, M. M., Watson, B. M., Schapira, M., Arrowsmith, C. H., Al-awar, R., Barsyte-Lovejoy, D., H Kaniskan, Ü., Brown, P. J., Vedadi, M., and Jin, J. (2021) A First-in-Class, Highly Selective and Cell-Active Allosteric Inhibitor of Protein Arginine Methyltransferase 6. J Med Chem. 64, 3697-3706

C Y Jeng, S., Trachman, R. J., Weissenboeck, F., Truong, L., Link, K. A., Jepsen, M. D. E., Knutson, J. R., Andersen, E. S., Ferré-D'Amaré, A. R., and Unrau, P. J. (2021) Fluorogenic aptamers resolve the flexibility of RNA junctions using orientation-dependent FRET. RNA. 27, 433-444

Laniado, J., Cannon, K. A., Miller, J. E., Sawaya, M. R., McNamara, D. E., and Yeates, T. O. (2021) Geometric Lessons and Design Strategies for Nanoscale Protein Cages. ACS Nano. 10.1021/acsnano.0c07167

Deo, C., Abdelfattah, A. S., Bhargava, H. K., Berro, A. J., Falco, N., Farrants, H., Moeyaert, B., Chupanova, M., Lavis, L. D., and Schreiter, E. R. (2021) The HaloTag as a general scaffold for far-red tunable chemigenetic indicators. Nat Chem Biol. 17, 718-723

Campiani, G., Cavella, C., Osko, J. D., Brindisi, M., Relitti, N., Brogi, S., A Saraswati, P., Federico, S., Chemi, G., Maramai, S., Carullo, G., Jaeger, B., Carleo, A., Benedetti, R., Sarno, F., Lamponi, S., Rottoli, P., Bargagli, E., Bertucci, C., Tedesco, D., Herp, D., Senger, J., Ruberti, G., Saccoccia, F., Saponara, S., Gorelli, B., Valoti, M., Kennedy, B., Sundaramurthi, H., Butini, S., Jung, M., Roach, K. M., Altucci, L., Bradding, P., Christianson, D. W., Gemma, S., and Prasse, A. (2021) Harnessing the Role of HDAC6 in Idiopathic Pulmonary Fibrosis: Design, Synthesis, Structural Analysis, and Biological Evaluation of Potent Inhibitors. J Med Chem. 64, 9960-9988

Campiani, G., Cavella, C., Osko, J. D., Brindisi, M., Relitti, N., Brogi, S., A Saraswati, P., Federico, S., Chemi, G., Maramai, S., Carullo, G., Jaeger, B., Carleo, A., Benedetti, R., Sarno, F., Lamponi, S., Rottoli, P., Bargagli, E., Bertucci, C., Tedesco, D., Herp, D., Senger, J., Ruberti, G., Saccoccia, F., Saponara, S., Gorelli, B., Valoti, M., Kennedy, B., Sundaramurthi, H., Butini, S., Jung, M., Roach, K. M., Altucci, L., Bradding, P., Christianson, D. W., Gemma, S., and Prasse, A. (2021) Harnessing the Role of HDAC6 in Idiopathic Pulmonary Fibrosis: Design, Synthesis, Structural Analysis, and Biological Evaluation of Potent Inhibitors. J Med Chem. 64, 9960-9988

Campiani, G., Cavella, C., Osko, J. D., Brindisi, M., Relitti, N., Brogi, S., A Saraswati, P., Federico, S., Chemi, G., Maramai, S., Carullo, G., Jaeger, B., Carleo, A., Benedetti, R., Sarno, F., Lamponi, S., Rottoli, P., Bargagli, E., Bertucci, C., Tedesco, D., Herp, D., Senger, J., Ruberti, G., Saccoccia, F., Saponara, S., Gorelli, B., Valoti, M., Kennedy, B., Sundaramurthi, H., Butini, S., Jung, M., Roach, K. M., Altucci, L., Bradding, P., Christianson, D. W., Gemma, S., and Prasse, A. (2021) Harnessing the Role of HDAC6 in Idiopathic Pulmonary Fibrosis: Design, Synthesis, Structural Analysis, and Biological Evaluation of Potent Inhibitors. J Med Chem. 64, 9960-9988

Campiani, G., Cavella, C., Osko, J. D., Brindisi, M., Relitti, N., Brogi, S., A Saraswati, P., Federico, S., Chemi, G., Maramai, S., Carullo, G., Jaeger, B., Carleo, A., Benedetti, R., Sarno, F., Lamponi, S., Rottoli, P., Bargagli, E., Bertucci, C., Tedesco, D., Herp, D., Senger, J., Ruberti, G., Saccoccia, F., Saponara, S., Gorelli, B., Valoti, M., Kennedy, B., Sundaramurthi, H., Butini, S., Jung, M., Roach, K. M., Altucci, L., Bradding, P., Christianson, D. W., Gemma, S., and Prasse, A. (2021) Harnessing the Role of HDAC6 in Idiopathic Pulmonary Fibrosis: Design, Synthesis, Structural Analysis, and Biological Evaluation of Potent Inhibitors. J Med Chem. 64, 9960-9988

Campiani, G., Cavella, C., Osko, J. D., Brindisi, M., Relitti, N., Brogi, S., A Saraswati, P., Federico, S., Chemi, G., Maramai, S., Carullo, G., Jaeger, B., Carleo, A., Benedetti, R., Sarno, F., Lamponi, S., Rottoli, P., Bargagli, E., Bertucci, C., Tedesco, D., Herp, D., Senger, J., Ruberti, G., Saccoccia, F., Saponara, S., Gorelli, B., Valoti, M., Kennedy, B., Sundaramurthi, H., Butini, S., Jung, M., Roach, K. M., Altucci, L., Bradding, P., Christianson, D. W., Gemma, S., and Prasse, A. (2021) Harnessing the Role of HDAC6 in Idiopathic Pulmonary Fibrosis: Design, Synthesis, Structural Analysis, and Biological Evaluation of Potent Inhibitors. J Med Chem. 64, 9960-9988

Campiani, G., Cavella, C., Osko, J. D., Brindisi, M., Relitti, N., Brogi, S., A Saraswati, P., Federico, S., Chemi, G., Maramai, S., Carullo, G., Jaeger, B., Carleo, A., Benedetti, R., Sarno, F., Lamponi, S., Rottoli, P., Bargagli, E., Bertucci, C., Tedesco, D., Herp, D., Senger, J., Ruberti, G., Saccoccia, F., Saponara, S., Gorelli, B., Valoti, M., Kennedy, B., Sundaramurthi, H., Butini, S., Jung, M., Roach, K. M., Altucci, L., Bradding, P., Christianson, D. W., Gemma, S., and Prasse, A. (2021) Harnessing the Role of HDAC6 in Idiopathic Pulmonary Fibrosis: Design, Synthesis, Structural Analysis, and Biological Evaluation of Potent Inhibitors. J Med Chem. 64, 9960-9988

Eduful, B. J., O'Byrne, S. N., Temme, L., Asquith, C. R. M., Liang, Y., Picado, A., Pilotte, J. R., Hossain, M. Anwar, Wells, C. I., Zuercher, W. J., Catta-Preta, C. M. C., Ramos, P. Zonzini, Santiago, Ade S., Couñago, R. M., Langendorf, C. G., Nay, K., Oakhill, J. S., Pulliam, T. L., Lin, C., Awad, D., Willson, T. M., Frigo, D. E., Scott, J. W., and Drewry, D. H. (2021) Hinge Binder Scaffold Hopping Identifies Potent Calcium/Calmodulin-Dependent Protein Kinase Kinase 2 (CAMKK2) Inhibitor Chemotypes. J Med Chem. 64, 10849-10877

Eduful, B. J., O'Byrne, S. N., Temme, L., Asquith, C. R. M., Liang, Y., Picado, A., Pilotte, J. R., Hossain, M. Anwar, Wells, C. I., Zuercher, W. J., Catta-Preta, C. M. C., Ramos, P. Zonzini, Santiago, Ade S., Couñago, R. M., Langendorf, C. G., Nay, K., Oakhill, J. S., Pulliam, T. L., Lin, C., Awad, D., Willson, T. M., Frigo, D. E., Scott, J. W., and Drewry, D. H. (2021) Hinge Binder Scaffold Hopping Identifies Potent Calcium/Calmodulin-Dependent Protein Kinase Kinase 2 (CAMKK2) Inhibitor Chemotypes. J Med Chem. 64, 10849-10877

St-Cyr, D., Ceccarelli, D. F., Orlicky, S., van der Sloot, A. M., Tang, X., Kelso, S., Moore, S., James, C., Posternak, G., Coulombe-Huntington, J., Bertomeu, T., Marinier, A., Sicheri, F., and Tyers, M. (2021) Identification and optimization of molecular glue compounds that inhibit a noncovalent E2 enzyme-ubiquitin complex. Sci Adv. 7, eabi5797

St-Cyr, D., Ceccarelli, D. F., Orlicky, S., van der Sloot, A. M., Tang, X., Kelso, S., Moore, S., James, C., Posternak, G., Coulombe-Huntington, J., Bertomeu, T., Marinier, A., Sicheri, F., and Tyers, M. (2021) Identification and optimization of molecular glue compounds that inhibit a noncovalent E2 enzyme-ubiquitin complex. Sci Adv. 7, eabi5797

Fritschi, C. J., Liang, S., Mohammadi, M., Anang, S., Moraca, F., Chen, J., Madani, N., Sodroski, J. G., Abrams, C. F., Hendrickson, W. A., and Smith, A. B. (2021) Identification of gp120 Residue His105 as a Novel Target for HIV-1 Neutralization by Small-Molecule CD4-Mimics. ACS Med Chem Lett. 12, 1824-1831

Wang, X., Allen, S., Blake, J. F., Bowcut, V., Briere, D. M., Calinisan, A., Dahlke, J. R., Fell, J. B., Fischer, J. P., Gunn, R. J., Hallin, J., Laguer, J., J Lawson, D., Medwid, J., Newhouse, B., Nguyen, P., O'Leary, J. M., Olson, P., Pajk, S., Rahbaek, L., Rodriguez, M., Smith, C. R., Tang, T. P., Thomas, N. C., Vanderpool, D., Vigers, G. P., Christensen, J. G., and Marx, M. A. (2021) Identification of MRTX1133, a Noncovalent, Potent, and Selective KRAS Inhibitor. J Med Chem. 10.1021/acs.jmedchem.1c01688

Wang, X., Allen, S., Blake, J. F., Bowcut, V., Briere, D. M., Calinisan, A., Dahlke, J. R., Fell, J. B., Fischer, J. P., Gunn, R. J., Hallin, J., Laguer, J., J Lawson, D., Medwid, J., Newhouse, B., Nguyen, P., O'Leary, J. M., Olson, P., Pajk, S., Rahbaek, L., Rodriguez, M., Smith, C. R., Tang, T. P., Thomas, N. C., Vanderpool, D., Vigers, G. P., Christensen, J. G., and Marx, M. A. (2021) Identification of MRTX1133, a Noncovalent, Potent, and Selective KRAS Inhibitor. J Med Chem. 10.1021/acs.jmedchem.1c01688

Tayeb-Fligelman, E., Cheng, X., Tai, C., Bowler, J. T., Griner, S., Sawaya, M. R., Seidler, P. M., Jiang, Y. Xiao, Lu, J., Rosenberg, G. M., Salwinski, L., Abskharon, R., Zee, C. - T., Hou, K., Li, Y., Boyer, D. R., Murray, K. A., Falcon, G., Anderson, D. H., Cascio, D., Saelices, L., Damoiseaux, R., Guo, F., and Eisenberg, D. S. (2021) Inhibition of amyloid formation of the Nucleoprotein of SARS-CoV-2. bioRxiv. 10.1101/2021.03.05.434000

Tayeb-Fligelman, E., Cheng, X., Tai, C., Bowler, J. T., Griner, S., Sawaya, M. R., Seidler, P. M., Jiang, Y. Xiao, Lu, J., Rosenberg, G. M., Salwinski, L., Abskharon, R., Zee, C. - T., Hou, K., Li, Y., Boyer, D. R., Murray, K. A., Falcon, G., Anderson, D. H., Cascio, D., Saelices, L., Damoiseaux, R., Guo, F., and Eisenberg, D. S. (2021) Inhibition of amyloid formation of the Nucleoprotein of SARS-CoV-2. bioRxiv. 10.1101/2021.03.05.434000

Martinez, O. E., Mahoney, B. J., Goring, A. K., Yi, S. - W., Tran, D. P., Cascio, D., Phillips, M. L., Muthana, M. M., Chen, X., Jung, M. E., Loo, J. A., and Clubb, R. T. (2021) Insight into the molecular basis of substrate recognition by the wall teichoic acid glycosyltransferase TagA. J Biol Chem. 10.1016/j.jbc.2021.101464

Martinez, O. E., Mahoney, B. J., Goring, A. K., Yi, S. - W., Tran, D. P., Cascio, D., Phillips, M. L., Muthana, M. M., Chen, X., Jung, M. E., Loo, J. A., and Clubb, R. T. (2021) Insight into the molecular basis of substrate recognition by the wall teichoic acid glycosyltransferase TagA. J Biol Chem. 10.1016/j.jbc.2021.101464

Martinez, O. E., Mahoney, B. J., Goring, A. K., Yi, S. - W., Tran, D. P., Cascio, D., Phillips, M. L., Muthana, M. M., Chen, X., Jung, M. E., Loo, J. A., and Clubb, R. T. (2021) Insight into the molecular basis of substrate recognition by the wall teichoic acid glycosyltransferase TagA. J Biol Chem. 10.1016/j.jbc.2021.101464

Tsai, W. - C., Gilbert, N. C., Ohler, A., Armstrong, M., Perry, S., Kalyanaraman, C., Yasgar, A., Rai, G., Simeonov, A., Jadhav, A., Standley, M., Lee, H. - W., Crews, P., Iavarone, A. T., Jacobson, M. P., Neau, D. B., Offenbacher, A. R., Newcomer, M., and Holman, T. R. (2021) Kinetic and structural investigations of novel inhibitors of human epithelial 15-lipoxygenase-2. Bioorg Med Chem. 46, 116349

Tran, T. H., Chan, A. H., Young, L. C., Bindu, L., Neale, C., Messing, S., Dharmaiah, S., Taylor, T., Denson, J. - P., Esposito, D., Nissley, D. V., Stephen, A. G., McCormick, F., and Simanshu, D. K. (2021) KRAS interaction with RAF1 RAS-binding domain and cysteine-rich domain provides insights into RAS-mediated RAF activation. Nat Commun. 12, 1176

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The Northeastern Collaborative Access Team (NE-CAT) facility at the Advanced Photon Source at Argonne National Laboratory is managed by Cornell University and consists of eight member institutions:

Columbia University
Cornell University
Genentech
Harvard University
Memorial Sloan-Kettering Cancer Center
Massachusetts Institute of Technology
Rockefeller University
Yale University

Primary funding for this project comes from the National Institute of General Medical Sciences (NIGMS), a division of the National Institutes of Health (NIH). Additional financial support for NE-CAT comes from the member institutions.