The heat is on: thermodynamic analysis in fragment-based drug discovery von Edink, Ewald, Jansen, Chimed, Leurs, Rob, de Esch, Iwan J.P.

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Lysyl-tRNA synthetase as a drug target in malaria and cryptosporidiosis von Baragan˜a, Beatriz, Forte, Barbara, Choi, Ryan, Hewitt, Stephen Nakazawa, Bueren-Calabuig, Juan A., Pisco, Joa˜o Pedro, Peet, Caroline, Dranow, David M., Robinson, David A., Jansen, Chimed, Norcross, Neil R., Vinayak, Sumiti, Anderson, Mark, Brooks, Carrie F., Cooper, Caitlin A., Damerow, Sebastian, Delves, Michael, Dowers, Karen, Duffy, James, Edwards, Thomas E., Hallyburton, Irene, Horst, Benjamin G., Hulverson, Matthew A., Ferguson, Liam, Jiménez-Díaz, María Belén, Jumani, Rajiv S., Lorimer, Donald D., Love, Melissa S., Maher, Steven, Matthews, Holly, McNamara, Case W., Miller, Peter, O’Neill, Sandra, Ojo, Kayode K., Osuna-Cabello, Maria, Pinto, Erika, Post, John, Riley, Jennifer, Rottmann, Matthias, Sanz, Laura M., Scullion, Paul, Sharma, Arvind, Shepherd, Sharon M., Shishikura, Yoko, Simeons, Frederick R. C., Stebbins, Erin E., Stojanovski, Laste, Straschil, Ursula, Tamaki, Fabio K., Tamjar, Jevgenia, Torrie, Leah S., Vantaux, Amélie, Witkowski, Benoît, Wittlin, Sergio, Yogavel, Manickam, Zuccotto, Fabio, Angulo-Barturen, Iñigo, Sinden, Robert, Baum, Jake, Gamo, Francisco-Javier, Mäser, Pascal, Kyle, Dennis E., Winzeler, Elizabeth A., Myler, Peter J., Wyatt, Paul G., Floyd, David, Matthews, David, Sharma, Amit, Striepen, Boris, Huston, Christopher D., Gray, David W., Fairlamb, Alan H., Pisliakov, Andrei V., Walpole, Chris, Read, Kevin D., Van Voorhis, Wesley C., Gilbert, Ian H.

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PDEStrIAn: A Phosphodiesterase Structure and Ligand Interaction Annotated Database As a Tool for Structure-Based Drug Design von Jansen, Chimed, Kooistra, Albert J, Kanev, Georgi K, Leurs, Rob, de Esch, Iwan J. P, de Graaf, Chris

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Molecular basis of RNA guanine-7 methyltransferase (RNMT) activation by RAM von Varshney, Dhaval, Petit, Alain-Pierre, Bueren-Calabuig, Juan A, Jansen, Chimed, Fletcher, Dan A, Peggie, Mark, Weidlich, Simone, Scullion, Paul, Pisliakov, Andrei V, Cowling, Victoria H

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Structure-Based Discovery of a Series of Covalent, Orally Bioavailable, and Selective BFL1 Inhibitors von Palisse, Adeline, Cheung, Tony, Blokhuis, Aileen, Cogswell, Thomas, Martins, Bruna S., Riemens, Rick, Schellekens, Rick, Battocchio, Giovanni, Jansen, Chimed, Cottee, Matthew A., Ornell, Kimberly, Sacchetto, Claudia, Leon, Leonardo, van Hoek- Emmelot, Maaike, Bostock, Mark, Brauer, Brooke Leann, Beaumont, Kevin, Lucas, Simon C. C., Ahmed, Samiyah, Blackwell, J. Henry, Börjesson, Ulf, Gohlke, Andrea, Gramatikov, Iva Monique T., Hargreaves, David, van Hoeven, Vera, Kantae, Vasudev, Kupcova, Lea, Milbradt, Alexander G., Seneviratne, Uthpala, Su, Nancy, Vales, John, Wang, Haiyun, White, Michael J., Kinzel, Olaf

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Lysyl-tRNA synthetase, a target for urgently needed M. tuberculosis drugs von Green, Simon R., Davis, Susan H., Damerow, Sebastian, Engelhart, Curtis A., Mathieson, Michael, Baragaña, Beatriz, Robinson, David A., Tamjar, Jevgenia, Dawson, Alice, Tamaki, Fabio K., Buchanan, Kirsteen I., Post, John, Dowers, Karen, Shepherd, Sharon M., Jansen, Chimed, Zuccotto, Fabio, Gilbert, Ian H., Epemolu, Ola, Riley, Jennifer, Stojanovski, Laste, Osuna-Cabello, Maria, Pérez-Herrán, Esther, Rebollo, María José, Guijarro López, Laura, Casado Castro, Patricia, Camino, Isabel, Kim, Heather C., Bean, James M., Nahiyaan, Navid, Rhee, Kyu Y., Wang, Qinglan, Tan, Vee Y., Boshoff, Helena I. M., Converse, Paul J., Li, Si-Yang, Chang, Yong S., Fotouhi, Nader, Upton, Anna M., Nuermberger, Eric L., Schnappinger, Dirk, Read, Kevin D., Encinas, Lourdes, Bates, Robert H., Wyatt, Paul G., Cleghorn, Laura A. T.

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Discovery and Optimization of 5‑Amino-1,2,3-triazole-4-carboxamide Series against Trypanosoma cruzi von Brand, Stephen, Ko, Eun Jung, Viayna, Elisabet, Thompson, Stephen, Spinks, Daniel, Thomas, Michael, Sandberg, Lars, Francisco, Amanda F, Jayawardhana, Shiromani, Smith, Victoria C, Jansen, Chimed, De Rycker, Manu, Thomas, John, MacLean, Lorna, Osuna-Cabello, Maria, Riley, Jennifer, Scullion, Paul, Stojanovski, Laste, Simeons, Frederick R. C, Epemolu, Ola, Shishikura, Yoko, Crouch, Sabrinia D, Bakshi, Tania S, Nixon, Christopher J, Reid, Iain H, Hill, Alan P, Underwood, Tim Z, Hindley, Sean J, Robinson, Sharon A, Kelly, John M, Fiandor, Jose M, Wyatt, Paul G, Marco, Maria, Miles, Timothy J, Read, Kevin D, Gilbert, Ian H

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Synthesis and evaluation of analogs of the phenylpyridazinone NPD-001 as potent trypanosomal TbrPDEB1 phosphodiesterase inhibitors and in vitro trypanocidals von Veerman, Johan, van den Bergh, Toine, Orrling, Kristina M., Jansen, Chimed, Cos, Paul, Maes, Louis, Chatelain, Eric, Ioset, Jean-Robert, Edink, Ewald E., Tenor, Hermann, Seebeck, Thomas, de Esch, Iwan, Leurs, Rob, Sterk, Geert Jan

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Targeting a Subpocket in Trypanosoma brucei Phosphodiesterase B1 (TbrPDEB1) Enables the Structure-Based Discovery of Selective Inhibitors with Trypanocidal Activity von Blaazer, Antoni R, Singh, Abhimanyu K, de Heuvel, Erik, Edink, Ewald, Orrling, Kristina M, Veerman, Johan J. N, van den Bergh, Toine, Jansen, Chimed, Balasubramaniam, Erin, Mooij, Wouter J, Custers, Hans, Sijm, Maarten, Tagoe, Daniel N. A, Kalejaiye, Titilola D, Munday, Jane C, Tenor, Hermann, Matheeussen, An, Wijtmans, Maikel, Siderius, Marco, de Graaf, Chris, Maes, Louis, de Koning, Harry P, Bailey, David S, Sterk, Geert Jan, de Esch, Iwan J. P, Brown, David G, Leurs, Rob

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Discovery of Novel Trypanosoma brucei Phosphodiesterase B1 Inhibitors by Virtual Screening against the Unliganded TbrPDEB1 Crystal Structure von Jansen, Chimed, Wang, Huanchen, Kooistra, Albert J, de Graaf, Chris, Orrling, Kristina M, Tenor, Hermann, Seebeck, Thomas, Bailey, David, de Esch, Iwan J. P, Ke, Hengming, Leurs, Rob

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Catechol Pyrazolinones as Trypanocidals: Fragment-Based Design, Synthesis, and Pharmacological Evaluation of Nanomolar Inhibitors of Trypanosomal Phosphodiesterase B1 von Orrling, Kristina M, Jansen, Chimed, Vu, Xuan Lan, Balmer, Vreni, Bregy, Patrick, Shanmugham, Anitha, England, Paul, Bailey, David, Cos, Paul, Maes, Louis, Adams, Emily, van den Bogaart, Erika, Chatelain, Eric, Ioset, Jean-Robert, van de Stolpe, Andrea, Zorg, Stèphanie, Veerman, Johan, Seebeck, Thomas, Sterk, Geert Jan, de Esch, Iwan J. P, Leurs, Rob

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Lysyl-tRNA synthetase as a drug target in malaria and cryptosporidiosis von Baragaña, Beatriz, Forte, Barbara, Choi, Ryan, Nakazawa Hewitt, Stephen, Bueren-Calabuig, Juan A, Pisco, João Pedro, Peet, Caroline, Dranow, David M, Robinson, David A, Jansen, Chimed, Norcross, Neil R, Vinayak, Sumiti, Anderson, Mark, Brooks, Carrie F, Cooper, Caitlin A, Damerow, Sebastian, Delves, Michael, Dowers, Karen, Duffy, James, Edwards, Thomas E, Hallyburton, Irene, Horst, Benjamin G, Hulverson, Matthew A, Ferguson, Liam, Jiménez-Díaz, María Belén, Jumani, Rajiv S, Lorimer, Donald D, Love, Melissa S, Maher, Steven, Matthews, Holly, McNamara, Case W, Miller, Peter, O'Neill, Sandra, Ojo, Kayode K, Osuna-Cabello, Maria, Pinto, Erika, Post, John, Riley, Jennifer, Rottmann, Matthias, Sanz, Laura M, Scullion, Paul, Sharma, Arvind, Shepherd, Sharon M, Shishikura, Yoko, Simeons, Frederick RC, Stebbins, Erin E, Stojanovski, Laste, Straschil, Ursula, Tamaki, Fabio K, Tamjar, Jevgenia, Torrie, Leah S, Vantaux, Amélie, Witkowski, Benoît, Wittlin, Sergio, Yogavel, Manickam, Zuccotto, Fabio, Angulo-Barturen, Iñigo, Sinden, Robert, Baum, Jake, Gamo, Francisco-Javier, Mäser, Pascal, Kyle, Dennis E, Winzeler, Elizabeth A, Myler, Peter J, Wyatt, Paul G, Floyd, David, Matthews, David, Sharma, Amit, Striepen, Boris, Huston, Christopher D, Gray, David W, Fairlamb, Alan H, Pisliakov, Andrei V, Walpole, Chris, Read, Kevin D, Van Voorhis, Wesley C, Gilbert, Ian H

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Discovery and Optimization of 5-Amino-1,2,3-triazole-4-carboxamide Series against Trypanosoma cruzi von Brand, Stephen, Ko, Eun Jung, Viayna, Elisabet, Thompson, Stephen, Spinks, Daniel, Thomas, Michael, Sandberg, Lars, Francisco, Amanda F, Jayawardhana, Shiromani, Smith, Victoria C, Jansen, Chimed, De Rycker, Manu, Thomas, John, MacLean, Lorna, Osuna-Cabello, Maria, Riley, Jennifer, Scullion, Paul, Stojanovski, Laste, Simeons, Frederick RC, Epemolu, Ola, Shishikura, Yoko, Crouch, Sabrinia D, Bakshi, Tania S, Nixon, Christopher J, Reid, Iain H, Hill, Alan P, Underwood, Tim Z, Hindley, Sean J, Robinson, Sharon A, Kelly, John M, Fiandor, Jose M, Wyatt, Paul G, Marco, Maria, Miles, Timothy J, Read, Kevin D, Gilbert, Ian H

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Fragment-Based Screening in Tandem with Phenotypic Screening Provides Novel Antiparasitic Hits von Blaazer, Antoni R., Orrling, Kristina M., Shanmugham, Anitha, Jansen, Chimed, Maes, Louis, Edink, Ewald, Sterk, Geert Jan, Siderius, Marco, England, Paul, Bailey, David, de Esch, Iwan J.P., Leurs, Rob

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Biochemical and Structural Characterization of Selective Allosteric Inhibitors of the Plasmodium falciparum Drug Target, Prolyl-tRNA-synthetase von Hewitt, Stephen Nakazawa, Dranow, David M, Horst, Benjamin G, Abendroth, Jan A, Forte, Barbara, Hallyburton, Irene, Jansen, Chimed, Baragaña, Beatriz, Choi, Ryan, Rivas, Kasey L, Hulverson, Matthew A, Dumais, Mitchell, Edwards, Thomas E, Lorimer, Donald D, Fairlamb, Alan H, Gray, David W, Read, Kevin D, Lehane, Adele M, Kirk, Kiaran, Myler, Peter J, Wernimont, Amy, Walpole, Chris, Stacy, Robin, Barrett, Lynn K, Gilbert, Ian H, Van Voorhis, Wesley C

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Structure-based design, synthesis and structure–activity relationships of dibenzosuberyl- and benzoate-substituted tropines as ligands for acetylcholine-binding protein von Edink, Ewald, Akdemir, Atilla, Jansen, Chimed, Elk, René van, Zuiderveld, Obbe, de Kanter, Frans J.J., van Muijlwijk-Koezen, Jacqueline E., Smit, August B., Leurs, Rob, de Esch, Iwan J.P.

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1-H-PYRROLO[2,3-c]PYRIDINE COMPOUNDS von ATKINSON, Stephen, DE BRUIN, Gerjan, JANSEN, Chimed, KINZEL, Olaf, IZZO, Flavia, VERKAIK, Saskia, VOETS, Robin, PACKER, Martin

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1-H-PYRROLO[2,3-C]PYRIDINE COMPOUNDS ACTING AGAINST CANCER VIA AGONISM OF MENIN von ATKINSON, Stephen, DE BRUIN, Gerjan, JANSEN, Chimed, KINZEL, Olaf, IZZO, Flavia, VERKAIK, Saskia, VOETS, Robin, PACKER, Martin

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ANTI-INFECTIVE AGENTS von TAYLOR, Malcolm, JANSEN, Chimed, COCCO, Mattia, GILBERT, Ian Hugh, CALDWELL, Nicola, BARAGAÑA RUIBAL, Beatriz, FORTE, Barbara

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Anti-infective agents von Davis, Susan, Gilbert, Ian, Baragana, Beatriz, Walpole, Christopher, Norcross, Neil, Jansen, Chimed, Forte, Barbara, Cleghorn, Laura

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