5W9E
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![BU of 5w9e by Molmil](/molmil-images/mine/5w9e) | Toxoplasma Gondii CDPK1 in complex with inhibitor GXJ-186 | 分子名称: | 1-tert-butyl-3-[(3-chlorophenyl)sulfanyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1 | 著者 | El Bakkouri, M, Lovato, D, Loppnau, P, Lin, Y.H, Rutaganaria, F, Lopez, M.S, Shokat, L, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Sibley, D, Hui, R, Walker, J.R. | 登録日 | 2017-06-23 | 公開日 | 2017-08-02 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.44 Å) | 主引用文献 | Toxoplasma Gondii CDPK1 in complex with inhibitor GXJ-186 To be published
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5W80
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![BU of 5w80 by Molmil](/molmil-images/mine/5w80) | Toxoplasma Gondii CDPK1 in complex with inhibitor GXJ-237 | 分子名称: | 3-(3-chlorophenoxy)-1-[(piperidin-4-yl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine, CALCIUM ION, Calmodulin-domain protein kinase 1 | 著者 | El Bakkouri, M, Lovato, D, Loppnau, P, Lin, Y.H, Rutaganaria, F, Lopez, M.S, Shokat, L, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Sibley, D, Walker, J.R, Structural Genomics Consortium (SGC) | 登録日 | 2017-06-21 | 公開日 | 2017-07-19 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Toxoplasma Gondii CDPK1 in complex with inhibitor GXJ-237 To be published
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5W91
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![BU of 5w91 by Molmil](/molmil-images/mine/5w91) | Toxoplasma Gondii CDPK1 in complex with inhibitor LZH118 | 分子名称: | 1-tert-butyl-N~3~-(3-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidine-3,4-diamine, CALCIUM ION, Calmodulin-domain protein kinase 1 | 著者 | El Bakkouri, M, Lovato, D, Loppnau, P, Lin, Y.H, Rutaganaria, F, Lopez, M.S, Shokat, L, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Sibley, D, Hui, R, Walker, J.R, Structural Genomics Consortium (SGC) | 登録日 | 2017-06-22 | 公開日 | 2017-08-30 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Toxoplasma Gondii CDPK1 in complex with inhibitor LZH118 To be published
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5W9R
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![BU of 5w9r by Molmil](/molmil-images/mine/5w9r) | Toxoplasma Gondii CDPK1 in complex with inhibitor LJQ138 | 分子名称: | 1-tert-butyl-3-[(1H-indol-3-yl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1 | 著者 | El Bakkouri, M, Lovato, D, Loppnau, P, Lin, Y.H, Rutaganaria, F, Lopez, M.S, Shokat, L, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Sibley, D, Hui, R, Walker, J.R. | 登録日 | 2017-06-23 | 公開日 | 2017-08-02 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Toxoplasma Gondii CDPK1 in complex with inhibitor LJQ138 To be published
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3H4S
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![BU of 3h4s by Molmil](/molmil-images/mine/3h4s) | |
3L9I
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![BU of 3l9i by Molmil](/molmil-images/mine/3l9i) | Myosin VI nucleotide-free (mdinsert2) L310G mutant crystal structure | 分子名称: | ACETATE ION, CALCIUM ION, Calmodulin, ... | 著者 | Pylypenko, O, Song, L, Sweeney, L.H, Houdusse, A. | 登録日 | 2010-01-05 | 公開日 | 2010-12-08 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Role of insert i of myosin VI in modulating nucleotide affinity To be Published
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5JN2
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![BU of 5jn2 by Molmil](/molmil-images/mine/5jn2) | Crystal structure of TgCDPK1 bound to NVPACU106 | 分子名称: | 1,2-ETHANEDIOL, CALCIUM ION, Calmodulin-domain protein kinase 1, ... | 著者 | El Bakkouri, M, Walker, J.R, Loppnau, P, Graslund, S, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Hui, R, Lovato, D.V, Structural Genomics Consortium (SGC) | 登録日 | 2016-04-29 | 公開日 | 2016-05-25 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Crystal structure of TgCDPK1 bound to NVPACU106 To Be Published
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5JMS
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![BU of 5jms by Molmil](/molmil-images/mine/5jms) | Crystal structure of TgCDPK1 bound to CGP060476 | 分子名称: | 1,2-ETHANEDIOL, CALCIUM ION, Calmodulin-domain protein kinase 1, ... | 著者 | El Bakkouri, M, Walker, J.R, Loppnau, P, Graslund, S, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Hui, R, Lovato, D.V, Structural Genomics Consortium (SGC) | 登録日 | 2016-04-29 | 公開日 | 2016-05-18 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Crystal structure of TgCDPK1bount to CGP060476 To Be Published
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3I7B
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![BU of 3i7b by Molmil](/molmil-images/mine/3i7b) | Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with bumped kinase inhibitor NM-PP1 | 分子名称: | 1,2-ETHANEDIOL, 1-(1-methylethyl)-3-(naphthalen-1-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1, ... | 著者 | Larson, E.T, Merritt, E.A, Medical Structural Genomics of Pathogenic Protozoa (MSGPP) | 登録日 | 2009-07-08 | 公開日 | 2010-02-09 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.988 Å) | 主引用文献 | Toxoplasma gondii calcium-dependent protein kinase 1 is a target for selective kinase inhibitors. Nat.Struct.Mol.Biol., 17, 2010
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3I7C
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![BU of 3i7c by Molmil](/molmil-images/mine/3i7c) | |
3I79
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![BU of 3i79 by Molmil](/molmil-images/mine/3i79) | |
3EHA
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![BU of 3eha by Molmil](/molmil-images/mine/3eha) | |
5T6A
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![BU of 5t6a by Molmil](/molmil-images/mine/5t6a) | Crystal Structure of TgCDPK1 from toxoplasma gondii complexed with 5GA | 分子名称: | 4-(3-chloro-4-fluorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine, Calmodulin-domain protein kinase 1 | 著者 | Jiang, D.Q, Tempel, W, Loppnau, P, Walker, J.R, Graslund, S, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Hui, R, Lovato, D.V, Osman, K.T, Structural Genomics Consortium (SGC) | 登録日 | 2016-09-01 | 公開日 | 2016-11-02 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Crystal Structure of TgCDPK1 from toxoplasma gondii complexed with SGC-1-9 to be published
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5T6I
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![BU of 5t6i by Molmil](/molmil-images/mine/5t6i) | CRYSTAL STRUCTURE OF TGCDPK1 FROM TOXOPLASMA GONDII COMPLEXED WITH 5GB | 分子名称: | 4-(3-methylphenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine, Calmodulin-domain protein kinase 1 | 著者 | Jiang, D.Q, Tempel, W, Walker, J.R, El Bakkouri, M, Loppnau, P, Graslund, S, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Hui, R, Lovato, D.V, Osman, K.T, Structural Genomics Consortium (SGC) | 登録日 | 2016-09-01 | 公開日 | 2016-11-02 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Crystal Structure of CDPK1 from toxoplasma gondii complexed with SGC-1-19 to be published
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5T6K
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![BU of 5t6k by Molmil](/molmil-images/mine/5t6k) | Crystal Structure of TgCDPK1 From Toxoplasma Gondii complexed with GW780159X | 分子名称: | 4-(3-chlorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine, Calmodulin-domain protein kinase 1, UNKNOWN ATOM OR ION | 著者 | Jiang, D.Q, Tempel, W, Walker, J.R, El Bakkouri, M, Loppnau, P, Graslund, S, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Hui, R, Lovato, D.V, Osman, K.T, Structural Genomics Consortium (SGC) | 登録日 | 2016-09-01 | 公開日 | 2016-11-02 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Crystal Structure of CDPK1 from toxoplasma gondii complexed with SGC-1-19 to be published
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5UOY
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![BU of 5uoy by Molmil](/molmil-images/mine/5uoy) | Crystal structure of human PDE1B catalytic domain in complex with inhibitor 16j (6-(4-Methoxybenzyl)-9-((tetrahydro-2H-pyran-4-yl)methyl)-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5(6H)-one) | 分子名称: | 6-[(4-methoxyphenyl)methyl]-9-[(oxan-4-yl)methyl]-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5(6H)-one, Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B, MAGNESIUM ION, ... | 著者 | Cedervall, E.P, Allerston, C.K, Xu, R, Sridhar, V, Barker, R, Aertgeerts, K. | 登録日 | 2017-02-01 | 公開日 | 2017-04-26 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | 主引用文献 | Discovery of Selective Phosphodiesterase 1 Inhibitors with Memory Enhancing Properties. J. Med. Chem., 60, 2017
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6KMH
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![BU of 6kmh by Molmil](/molmil-images/mine/6kmh) | The crystal structure of CASK/Mint1 complex | 分子名称: | Amyloid-beta A4 precursor protein-binding family A member 1, CHLORIDE ION, IODIDE ION, ... | 著者 | Li, W, Feng, W. | 登録日 | 2019-07-31 | 公開日 | 2020-08-05 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | CASK modulates the assembly and function of the Mint1/Munc18-1 complex to regulate insulin secretion. Cell Discov, 6, 2020
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4NPW
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![BU of 4npw by Molmil](/molmil-images/mine/4npw) | Crystal structure of human PDE1B bound to inhibitor 19A (7,8-dimethoxy-N-[(2S)-1-(3-methyl-1H-pyrazol-5-yl)propan-2-yl]quinazolin-4-amine) | 分子名称: | 7,8-dimethoxy-N-[(2S)-1-(3-methyl-1H-pyrazol-5-yl)propan-2-yl]quinazolin-4-amine, Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B, MAGNESIUM ION, ... | 著者 | Pandit, J, Evdomikov, A, Mansour, M, Simons, S. | 登録日 | 2013-11-22 | 公開日 | 2014-07-16 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Small-molecule phosphodiesterase probes: discovery of potent and selective CNS-penetrable quinazoline inhibitors of PDE1 MEDCHEMCOMM, 2014
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4NPV
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![BU of 4npv by Molmil](/molmil-images/mine/4npv) | Crystal structure of human PDE1B bound to inhibitor 7A (6,7,8-trimethoxy-N-(pentan-3-yl)quinazolin-4-amine) | 分子名称: | 6,7,8-trimethoxy-N-(pentan-3-yl)quinazolin-4-amine, Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B, MAGNESIUM ION, ... | 著者 | Pandit, J, Evdomikov, A, Mansour, M, Simons, S. | 登録日 | 2013-11-22 | 公開日 | 2014-07-16 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Small-molecule phosphodiesterase probes: discovery of potent and selective CNS-penetrable quinazoline inhibitors of PDE1 MEDCHEMCOMM, 2014
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3GN4
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![BU of 3gn4 by Molmil](/molmil-images/mine/3gn4) | Myosin lever arm | 分子名称: | CALCIUM ION, Calmodulin, MAGNESIUM ION, ... | 著者 | Mukherjea, M, Llinas, P, Kim, H, Travaglia, M, Safer, D, Zong, A.B, Menetrey, J, Franzini-Armstrong, C, Selvin, P.R, Houdusse, A, Sweeney, H.L. | 登録日 | 2009-03-16 | 公開日 | 2009-09-08 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Myosin VI dimerization triggers an unfolding of a three-helix bundle in order to extend its reach Mol.Cell, 35, 2009
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3HZT
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![BU of 3hzt by Molmil](/molmil-images/mine/3hzt) | Crystal structure of Toxoplasma gondii CDPK3, TGME49_105860 | 分子名称: | 5-[(E)-(5-CHLORO-2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)METHYL]-N-[2-(DIETHYLAMINO)ETHYL]-2,4-DIMETHYL-1H-PYRROLE-3-CARBOXAMIDE, Calcium-dependent protein kinase 3, GLYCEROL, ... | 著者 | Wernimont, A.K, Artz, J.D, Finnerty, P, Wasney, G, Allali-Hassani, A, Vedadi, M, Bochkarev, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Hui, R, Amani, M, Structural Genomics Consortium (SGC) | 登録日 | 2009-06-24 | 公開日 | 2009-07-21 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structures of apicomplexan calcium-dependent protein kinases reveal mechanism of activation by calcium. Nat.Struct.Mol.Biol., 17, 2010
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4MX9
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![BU of 4mx9 by Molmil](/molmil-images/mine/4mx9) | CDPK1 from Neospora caninum in complex with inhibitor UW1294 | 分子名称: | 3-(6-ethoxynaphthalen-2-yl)-1-[(1-methylpiperidin-4-yl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-like domain protein kinase isoenzyme gamma, related | 著者 | Merritt, E.A. | 登録日 | 2013-09-26 | 公開日 | 2013-10-09 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | 主引用文献 | Neospora caninum Calcium-Dependent Protein Kinase 1 Is an Effective Drug Target for Neosporosis Therapy. Plos One, 9, 2014
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4MXA
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![BU of 4mxa by Molmil](/molmil-images/mine/4mxa) | CDPK1 from Neospora caninum in complex with inhibitor RM-1-132 | 分子名称: | 3-(6-ethoxynaphthalen-2-yl)-1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-like domain protein kinase isoenzyme gamma, related | 著者 | Merritt, E.A. | 登録日 | 2013-09-26 | 公開日 | 2013-10-09 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Neospora caninum Calcium-Dependent Protein Kinase 1 Is an Effective Drug Target for Neosporosis Therapy. Plos One, 9, 2014
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2WEI
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![BU of 2wei by Molmil](/molmil-images/mine/2wei) | Crystal structure of the kinase domain of Cryptosporidium parvum calcium dependent protein kinase in complex with 3-MB-PP1 | 分子名称: | 1-tert-butyl-3-(3-methylbenzyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, CALMODULIN-DOMAIN PROTEIN KINASE 1, PUTATIVE | 著者 | Roos, A.K, King, O, Chaikuad, A, Zhang, C, Shokat, K.M, Wernimont, A.K, Artz, J.D, Lin, L, MacKenzie, F.I, Finerty, P.J, Vedadi, M, Schapira, M, Indarte, M, Kozieradzki, I, Pike, A.C.W, Fedorov, O, Doyle, D, Muniz, J, Arrowsmith, C.H, Weigelt, J, Edwards, A, Bountra, C, von Delft, F, Heightman, T, Hui, R. | 登録日 | 2009-03-31 | 公開日 | 2009-04-28 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | The Cryptosporidium Parvum Kinome. Bmc Genomics, 12, 2011
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6C1H
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![BU of 6c1h by Molmil](/molmil-images/mine/6c1h) | High-Resolution Cryo-EM Structures of Actin-bound Myosin States Reveal the Mechanism of Myosin Force Sensing | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ... | 著者 | Mentes, A, Huehn, A, Liu, X, Zwolak, A, Dominguez, R, Shuman, H, Ostap, E.M, Sindelar, C.V. | 登録日 | 2018-01-04 | 公開日 | 2018-01-31 | 最終更新日 | 2024-03-13 | 実験手法 | ELECTRON MICROSCOPY (3.9 Å) | 主引用文献 | High-resolution cryo-EM structures of actin-bound myosin states reveal the mechanism of myosin force sensing. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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