4OYQ
| (6-isothiocyanatohexyl)benzene inhibitor complexed with Macrophage Migration Inhibitory Factor | 分子名称: | 6-isothiocyanatohexylbenzene, GLYCEROL, Macrophage migration inhibitory factor, ... | 著者 | Spencer, E.S, Dale, E.J, Gommans, A.L, Vo, C.T, Rutledge, M.T, Nakatani, Y, Gamble, A.B, Smith, R.A.J, Wilbanks, S.M, Hampton, M.B, Tyndall, J.D.A. | 登録日 | 2014-02-12 | 公開日 | 2014-03-05 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | To be published To be published
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4OSF
| 4-(2-isothiocyanatoethyl)phenol inhibitor complexed with Macrophage Migration Inhibitory Factor | 分子名称: | CHLORIDE ION, ISOPROPYL ALCOHOL, Macrophage migration inhibitory factor, ... | 著者 | Spencer, E.S, Dale, E.J, Gommans, A.L, Vo, C.T, Rutledge, M.T, Nakatani, Y, Gamble, A.B, Smith, R.A.J, Wilbanks, S.M, Hampton, M.B, Tyndall, J.D.A. | 登録日 | 2014-02-12 | 公開日 | 2014-03-12 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | 主引用文献 | Multiple binding modes of isothiocyanates that inhibit macrophage migration inhibitory factor Eur.J.Med.Chem., 93, 2015
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3WNR
| Multiple binding modes of benzyl isothiocyanate inhibitor complexed with Macrophage Migration Inhibitory Factor | 分子名称: | CHLORIDE ION, GLYCEROL, Macrophage migration inhibitory factor, ... | 著者 | Spencer, E.S, Dale, E.J, Gommans, A.L, Rutledge, M.T, Gamble, A.B, Smith, R.A.J, Wilbanks, S.M, Hampton, M.B, Tyndall, J.D.A. | 登録日 | 2013-12-16 | 公開日 | 2014-03-05 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.008 Å) | 主引用文献 | Multiple binding modes of isothiocyanates that inhibit macrophage migration inhibitory factor Eur.J.Med.Chem., 93, 2015
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3WNT
| Multiple binding modes of benzyl isothiocyanate inhibitor complexed with Macrophage Migration Inhibitory Factor | 分子名称: | ISOPROPYL ALCOHOL, Macrophage migration inhibitory factor, N-benzylthioformamide, ... | 著者 | Spencer, E.S, Dale, E.J, Gommans, A.L, Rutledge, M.T, Gamble, A.B, Smith, R.A.J, Wilbanks, S.M, Hampton, M.B, Tyndall, J.D.A. | 登録日 | 2013-12-16 | 公開日 | 2014-03-05 | 最終更新日 | 2015-04-01 | 実験手法 | X-RAY DIFFRACTION (2.074 Å) | 主引用文献 | Multiple binding modes of isothiocyanates that inhibit macrophage migration inhibitory factor Eur.J.Med.Chem., 93, 2015
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3WNS
| Allyl isothiocyanate inhibitor complexed with Macrophage Migration Inhibitory Factor | 分子名称: | CHLORIDE ION, GLYCEROL, ISOPROPYL ALCOHOL, ... | 著者 | Spencer, E.S, Dale, E.J, Gommans, A.L, Rutledge, M.T, Gamble, A.B, Smith, R.A.J, Wilbanks, S.M, Hampton, M.B, Tyndall, J.D.A. | 登録日 | 2013-12-16 | 公開日 | 2014-03-05 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.658 Å) | 主引用文献 | Multiple binding modes of isothiocyanates that inhibit macrophage migration inhibitory factor Eur.J.Med.Chem., 93, 2015
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4DGG
| c-SRC kinase domain in complex with RM-1-176 | 分子名称: | 3-{6-[(3-chlorobenzyl)oxy]naphthalen-2-yl}-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Proto-oncogene tyrosine-protein kinase Src | 著者 | Merritt, E.A, Larson, E.T. | 登録日 | 2012-01-25 | 公開日 | 2012-10-10 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | Active site profiling reveals coupling between domains in SRC-family kinases. Nat.Chem.Biol., 9, 2013
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3SX9
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6BFA
| Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1553 | 分子名称: | 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 | 著者 | Merritt, E.A. | 登録日 | 2017-10-26 | 公開日 | 2017-12-06 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | 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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4WG5
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4WG3
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4WG4
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4TZR
| Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1561 | 分子名称: | 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 | 著者 | Merritt, E.A. | 登録日 | 2014-07-10 | 公開日 | 2014-08-27 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | 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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3SXF
| Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with Bumped Kinase Inhibitor, RM-1-89 | 分子名称: | 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, ... | 著者 | Larson, E.T, Merritt, E.A. | 登録日 | 2011-07-14 | 公開日 | 2012-03-14 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.04 Å) | 主引用文献 | Multiple determinants for selective inhibition of apicomplexan calcium-dependent protein kinase CDPK1. J.Med.Chem., 55, 2012
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3T3V
| Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with Bumped Kinase Inhibitor, RM-1-87 | 分子名称: | 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 | 著者 | Larson, E.T, Merritt, E.A. | 登録日 | 2011-07-25 | 公開日 | 2012-03-14 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.04 Å) | 主引用文献 | Multiple determinants for selective inhibition of apicomplexan calcium-dependent protein kinase CDPK1. J.Med.Chem., 55, 2012
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3T3U
| Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with Bumped Kinase Inhibitor, RM-1-130 | 分子名称: | 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, ... | 著者 | Larson, E.T, Merritt, E.A. | 登録日 | 2011-07-25 | 公開日 | 2012-03-14 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | 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
| c-SRC kinase domain in complex with BKI RM-1-89 | 分子名称: | 3-(6-ethoxynaphthalen-2-yl)-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Proto-oncogene tyrosine-protein kinase Src | 著者 | Merritt, E.A, Larson, E.T. | 登録日 | 2011-11-20 | 公開日 | 2012-03-14 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.27 Å) | 主引用文献 | Multiple Determinants for Selective Inhibition of Apicomplexan Calcium-Dependent Protein Kinase CDPK1. J.Med.Chem., 55, 2012
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3UQG
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3V5T
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3V51
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3V5P
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3UPX
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4Y5Q
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4JBV
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4M84
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