An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering
Keedy, Daniel A, Hill, Zachary B, Biel, Justin T, Kang, Emily, Rettenmaier, T Justin, Brandão-Neto, José, Pearce, Nicholas M, von Delft, Frank, Wells, James A, Fraser, James S
Published in eLife (07.06.2018)
Published in eLife (07.06.2018)
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Room-temperature crystallography reveals altered binding of small-molecule fragments to PTP1B
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Keep on Moving: Discovering and Perturbing the Conformational Dynamics of Enzymes
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Assessment of enzyme active site positioning and tests of catalytic mechanisms through X-ray–derived conformational ensembles
Yabukarski, Filip, Biel, Justin T., Pinney, Margaux M., Doukov, Tzanko, Powers, Alexander S., Fraser, James S., Herschlag, Daniel
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Published in Proceedings of the National Academy of Sciences - PNAS (29.12.2020)
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Synthetic group A streptogramin antibiotics that overcome Vat resistance
Li, Qi, Pellegrino, Jenna, Lee, D John, Tran, Arthur A, Chaires, Hector A, Wang, Ruoxi, Park, Jesslyn E, Ji, Kaijie, Chow, David, Zhang, Na, Brilot, Axel F, Biel, Justin T, van Zundert, Gydo, Borrelli, Kenneth, Shinabarger, Dean, Wolfe, Cindy, Murray, Beverly, Jacobson, Matthew P, Mühle, Estelle, Chesneau, Olivier, Fraser, James S, Seiple, Ian B
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Ensemble-function relationships to dissect mechanisms of enzyme catalysis
Yabukarski, Filip, Doukov, Tzanko, Pinney, Margaux M., Biel, Justin T., Fraser, James S., Herschlag, Daniel
Published in Science advances (14.10.2022)
Published in Science advances (14.10.2022)
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Comparing serial X-ray crystallography and microcrystal electron diffraction (MicroED) as methods for routine structure determination from small macromolecular crystals
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Published in IUCrJ (01.03.2020)
Published in IUCrJ (01.03.2020)
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Fragment Binding to the Nsp3 Macrodomain of SARS-CoV-2 Identified Through Crystallographic Screening and Computational Docking
Schuller, Marion, Correy, Galen J, Gahbauer, Stefan, Fearon, Daren, Wu, Taiasean, Díaz, Roberto Efraín, Young, Iris D, Martins, Luan Carvalho, Smith, Dominique H, Schulze-Gahmen, Ursula, Owens, Tristan W, Deshpande, Ishan, Merz, Gregory E, Thwin, Aye C, Biel, Justin T, Peters, Jessica K, Moritz, Michelle, Herrera, Nadia, Kratochvil, Huong T, Aimon, Anthony, Bennett, James M, Neto, Jose Brandao, Cohen, Aina E, Dias, Alexandre, Douangamath, Alice, Dunnett, Louise, Fedorov, Oleg, Ferla, Matteo P, Fuchs, Martin, Gorrie-Stone, Tyler J, Holton, James M, Johnson, Michael G, Krojer, Tobias, Meigs, George, Powell, Ailsa J, Rangel, Victor L, Russi, Silvia, Skyner, Rachael E, Smith, Clyde A, Soares, Alexei S, Wierman, Jennifer L, Zhu, Kang, Jura, Natalia, Ashworth, Alan, Irwin, John, Thompson, Michael C, Gestwicki, Jason E, von Delft, Frank, Shoichet, Brian K, Fraser, James S, Ahel, Ivan
Published in bioRxiv (24.11.2020)
Published in bioRxiv (24.11.2020)
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Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking
Schuller, Marion, Correy, Galen J, Gahbauer, Stefan, Fearon, Daren, Wu, Taiasean, Díaz, Roberto Efraín, Young, Iris D, Carvalho Martins, Luan, Smith, Dominique H, Schulze-Gahmen, Ursula, Owens, Tristan W, Deshpande, Ishan, Merz, Gregory E, Thwin, Aye C, Biel, Justin T, Peters, Jessica K, Moritz, Michelle, Herrera, Nadia, Kratochvil, Huong T, Aimon, Anthony, Bennett, James M, Brandao Neto, Jose, Cohen, Aina E, Dias, Alexandre, Douangamath, Alice, Dunnett, Louise, Fedorov, Oleg, Ferla, Matteo P, Fuchs, Martin R, Gorrie-Stone, Tyler J, Holton, James M, Johnson, Michael G, Krojer, Tobias, Meigs, George, Powell, Ailsa J, Rack, Johannes Gregor Matthias, Rangel, Victor L, Russi, Silvia, Skyner, Rachael E, Smith, Clyde A, Soares, Alexei S, Wierman, Jennifer L, Zhu, Kang, O'Brien, Peter, Jura, Natalia, Ashworth, Alan, Irwin, John J, Thompson, Michael C, Gestwicki, Jason E, von Delft, Frank, Shoichet, Brian K, Fraser, James S, Ahel, Ivan
Published in Science advances (01.04.2021)
Published in Science advances (01.04.2021)
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Journal Article
New routes for PTP1B allosteric inhibition by multitemperature crystallography, fragment screening and covalent tethering
Keedy, Daniel A, Hill, Zachary B, Biel, Justin T, Kang, Emily, Rettenmaier, T Justin, Brandao-Neto, Jose, Pearce, Nicholas M, Frank Von Delft, Wells, James A, Fraser, James S
Published in bioRxiv (13.11.2017)
Published in bioRxiv (13.11.2017)
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Paper
Comparing serial X-ray crystallography and microcrystal electron diffraction (MicroED) as methods for routine structure determination from small macromolecular crystals
Wolff, Alexander M., Young, Iris D., Sierra, Raymond G., Brewster, Aaron S., Martynowycz, Michael W., Nango, Eriko, Sugahara, Michihiro, Nakane, Takanori, Ito, Kazutaka, Aquila, Andrew, Bhowmick, Asmit, Biel, Justin T., Carbajo, Sergio, Cohen, Aina E., Cortez, Saul, Gonzalez, Ana, Hino, Tomoya, Im, Dohyun, Koralek, Jake D., Kubo, Minoru, Lazarou, Tomas S., Nomura, Takashi, Owada, Shigeki, Samelson, Avi J., Tanaka, Tomoyuki, Tanaka, Rie, Thompson, Erin M., van den Bedem, Henry, Woldeyes, Rahel A., Yumoto, Fumiaki, Zhao, Wei, Tono, Kensuke, Boutet, Sebastien, Iwata, So, Gonen, Tamir, Sauter, Nicholas K., Fraser, James S., Thompson, Michael C.
Published in IUCrJ (26.02.2020)
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Published in IUCrJ (26.02.2020)
Journal Article
Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking
Schuller, Marion, Correy, Galen J., Gahbauer, Stefan, Fearon, Daren, Wu, Taiasean, Díaz, Roberto Efraín, Young, Iris D., Carvalho Martins, Luan, Smith, Dominique H., Schulze-Gahmen, Ursula, Owens, Tristan W., Deshpande, Ishan, Merz, Gregory E., Thwin, Aye C., Biel, Justin T., Peters, Jessica K., Moritz, Michelle, Herrera, Nadia, Kratochvil, Huong T., Aimon, Anthony, Bennett, James M., Brandao Neto, Jose, Cohen, Aina E., Dias, Alexandre, Douangamath, Alice, Dunnett, Louise, Fedorov, Oleg, Ferla, Matteo P., Fuchs, Martin R., Gorrie-Stone, Tyler J., Holton, James M., Johnson, Michael G., Krojer, Tobias, Meigs, George, Powell, Ailsa J., Rack, Johannes Gregor Matthias, Rangel, Victor L., Russi, Silvia, Skyner, Rachael E., Smith, Clyde A., Soares, Alexei S., Wierman, Jennifer L., Zhu, Kang, O’Brien, Peter, Jura, Natalia, Ashworth, Alan, Irwin, John J., Thompson, Michael C., Gestwicki, Jason E., von Delft, Frank, Shoichet, Brian K., Fraser, James S., Ahel, Ivan
Published in Science advances (14.04.2021)
Get full text
Published in Science advances (14.04.2021)
Journal Article
Room-temperature crystallography reveals altered binding of small-molecule fragments to PTP1B
Mehlman, Tamar Skaist, Biel, Justin T, Syeda, Maryam Azeem, Nelson, Elliot R, Hossain, Sakib, Dunnett, Louise E, Paterson, Neil G, Douangamath, Alice, Talon, Romain, Axford, Danny, Orins, Helen, Frank Von Delft, Keedy, Daniel A
Published in bioRxiv (03.11.2022)
Published in bioRxiv (03.11.2022)
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Paper
Comparing serial X-ray crystallography and microcrystal electron diffraction (MicroED) as methods for routine structure determination from small macromolecular crystals
Wolff, Alexander M, Young, Iris D, Sierra, Raymond G, Brewster, Aaron S, Martynowycz, Michael W, Nango, Eriko, Sugahara, Michihiro, Nakane, Takanori, Ito, Kazutaka, Aquila, Andrew, Bhowmick, Asmit, Biel, Justin T, Carbajo, Sergio, Cohen, Aina E, Cortez, Saul, Gonzalez, Ana, Hino, Tomoya, Im, Dohyun, Koralek, Jake D, Kubo, Minoru, Lazarou, Tomas S, Nomura, Takashi, Owada, Shigeki, Samelson, Avi, Tanaka, Rie, Tanaka, Tomoyuki, Thompson, Erin M, Van Den Bedem, Henry, Woldeyes, Rahel A, Yumoto, Fumiaki, Zhao, Wei, Tono, Kensuke, Boutet, Sebastien, Iwata, So, Gonen, Tamir, Sauter, Nicholas K, Fraser, James S, Thompson, Michael C
Published in bioRxiv (12.09.2019)
Published in bioRxiv (12.09.2019)
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