4Y5Q
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4ONA
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4TZR
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![BU of 4tzr by Molmil](/molmil-images/mine/4tzr) | Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1561 | Descriptor: | 1-{4-amino-3-[2-(cyclopropyloxy)quinolin-6-yl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}-2-methylpropan-2-ol, Calmodulin-domain protein kinase 1 | Authors: | Merritt, E.A. | Deposit date: | 2014-07-10 | Release date: | 2014-08-27 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Development of an Orally Available and Central Nervous System (CNS) Penetrant Toxoplasma gondii Calcium-Dependent Protein Kinase 1 (TgCDPK1) Inhibitor with Minimal Human Ether-a-go-go-Related Gene (hERG) Activity for the Treatment of Toxoplasmosis. J. Med. Chem., 59, 2016
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3UQG
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![BU of 3uqg by Molmil](/molmil-images/mine/3uqg) | c-SRC kinase domain in complex with bumpless BKI analog UW1243 | Descriptor: | 1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Proto-oncogene tyrosine-protein kinase Src | Authors: | Merritt, E.A, Larson, E.T. | Deposit date: | 2011-11-20 | Release date: | 2012-03-14 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Multiple Determinants for Selective Inhibition of Apicomplexan Calcium-Dependent Protein Kinase CDPK1. J.Med.Chem., 55, 2012
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3UPZ
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3UQF
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![BU of 3uqf by Molmil](/molmil-images/mine/3uqf) | c-SRC kinase domain in complex with BKI RM-1-89 | Descriptor: | 3-(6-ethoxynaphthalen-2-yl)-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Proto-oncogene tyrosine-protein kinase Src | Authors: | Merritt, E.A, Larson, E.T. | Deposit date: | 2011-11-20 | Release date: | 2012-03-14 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Multiple Determinants for Selective Inhibition of Apicomplexan Calcium-Dependent Protein Kinase CDPK1. J.Med.Chem., 55, 2012
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3V5T
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6BFA
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![BU of 6bfa by Molmil](/molmil-images/mine/6bfa) | Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1553 | Descriptor: | 1-{4-amino-3-[6-(cyclopropyloxy)naphthalen-2-yl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}-2-methylpropan-2-ol, Calmodulin-domain protein kinase 1 | Authors: | Merritt, E.A. | Deposit date: | 2017-10-26 | Release date: | 2017-12-06 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Development of an Orally Available and Central Nervous System (CNS) Penetrant Toxoplasma gondii Calcium-Dependent Protein Kinase 1 (TgCDPK1) Inhibitor with Minimal Human Ether-a-go-go-Related Gene (hERG) Activity for the Treatment of Toxoplasmosis. J. Med. Chem., 59, 2016
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3SX9
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3V51
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3V5P
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3UPX
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4M84
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![BU of 4m84 by Molmil](/molmil-images/mine/4m84) | |
4WG5
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4WG3
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4WG4
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3SXF
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![BU of 3sxf by Molmil](/molmil-images/mine/3sxf) | Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with Bumped Kinase Inhibitor, RM-1-89 | Descriptor: | 1,2-ETHANEDIOL, 3-(6-ethoxynaphthalen-2-yl)-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1, ... | Authors: | Larson, E.T, Merritt, E.A. | Deposit date: | 2011-07-14 | Release date: | 2012-03-14 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Multiple determinants for selective inhibition of apicomplexan calcium-dependent protein kinase CDPK1. J.Med.Chem., 55, 2012
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3T3V
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![BU of 3t3v by Molmil](/molmil-images/mine/3t3v) | Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with Bumped Kinase Inhibitor, RM-1-87 | Descriptor: | 1,2-ETHANEDIOL, 3-(6-methoxynaphthalen-2-yl)-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1 | Authors: | Larson, E.T, Merritt, E.A. | Deposit date: | 2011-07-25 | Release date: | 2012-03-14 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Multiple determinants for selective inhibition of apicomplexan calcium-dependent protein kinase CDPK1. J.Med.Chem., 55, 2012
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3T3U
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![BU of 3t3u by Molmil](/molmil-images/mine/3t3u) | Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with Bumped Kinase Inhibitor, RM-1-130 | Descriptor: | 1,2-ETHANEDIOL, 3-(6-methoxynaphthalen-2-yl)-1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1, ... | Authors: | Larson, E.T, Merritt, E.A. | Deposit date: | 2011-07-25 | Release date: | 2012-03-14 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Multiple determinants for selective inhibition of apicomplexan calcium-dependent protein kinase CDPK1. J.Med.Chem., 55, 2012
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4JBV
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