5MQL
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![BU of 5mql by Molmil](/molmil-images/mine/5mql) | Crystal structure of dCK mutant C3S in complex with masitinib and UDP | 分子名称: | 2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE, Deoxycytidine kinase, MAGNESIUM ION, ... | 著者 | Rebuffet, E, Hammam, K, Saez-Ayala, M, Gros, L, Lopez, S, Hajem, B, Humbert, M, Baudelet, E, Audebert, S, Betzi, S, Lugari, A, Combes, S, Pez, D, Letard, S, Mansfield, C, Moussy, A, de Sepulveda, P, Morelli, X, Dubreuil, P. | 登録日 | 2016-12-20 | 公開日 | 2017-11-22 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (3.25 Å) | 主引用文献 | Dual protein kinase and nucleoside kinase modulators for rationally designed polypharmacology. Nat Commun, 8, 2017
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5MQT
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![BU of 5mqt by Molmil](/molmil-images/mine/5mqt) | Crystal structure of dCK mutant C3S in complex with imatinib and UDP | 分子名称: | 2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE, 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, Deoxycytidine kinase, ... | 著者 | Saez-Ayala, M, Rebuffet, E, Hammam, K, Gros, L, Lopez, S, Hajem, B, Humbert, M, Baudelet, E, Audebert, S, Betzi, S, Lugari, A, Combes, S, Pez, D, Letard, S, Mansfield, C, Moussy, A, de Sepulveda, P, Morelli, X, Dubreuil, P. | 登録日 | 2016-12-20 | 公開日 | 2017-11-22 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | Dual protein kinase and nucleoside kinase modulators for rationally designed polypharmacology. Nat Commun, 8, 2017
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5MQJ
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![BU of 5mqj by Molmil](/molmil-images/mine/5mqj) | Crystal structure of dCK mutant C3S | 分子名称: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Deoxycytidine kinase, MAGNESIUM ION, ... | 著者 | Saez-Ayala, M, Rebuffet, E, Hammam, K, Gros, L, Lopez, S, Hajem, B, Humbert, M, Baudelet, E, Audebert, S, Betzi, S, Lugari, A, Combes, S, Pez, D, Letard, S, Mansfield, C, Moussy, A, de Sepulveda, P, Morelli, X, Dubreuil, P. | 登録日 | 2016-12-20 | 公開日 | 2017-11-22 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (3.7 Å) | 主引用文献 | Dual protein kinase and nucleoside kinase modulators for rationally designed polypharmacology. Nat Commun, 8, 2017
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7D7S
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![BU of 7d7s by Molmil](/molmil-images/mine/7d7s) | |
4D8D
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![BU of 4d8d by Molmil](/molmil-images/mine/4d8d) | |
6IPY
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![BU of 6ipy by Molmil](/molmil-images/mine/6ipy) | |
6IPZ
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![BU of 6ipz by Molmil](/molmil-images/mine/6ipz) | Fyn SH3 domain R96W mutant, crystallized with 18-crown-6 | 分子名称: | 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, Tyrosine-protein kinase Fyn | 著者 | Arold, S.T, Aljedani, S.S, Shahul Hameed, U.F. | 登録日 | 2018-11-05 | 公開日 | 2018-11-28 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.576 Å) | 主引用文献 | Synergy and allostery in ligand binding by HIV-1 Nef. Biochem.J., 478, 2021
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5DLX
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![BU of 5dlx by Molmil](/molmil-images/mine/5dlx) | FIRST DOMAIN OF HUMAN BROMODOMAIN BRD4 IN COMPLEX WITH INHIBITOR N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-1-{3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl}piperidine-4-carboxamide | 分子名称: | Bromodomain-containing protein 4, N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-1-(3-methyl[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide | 著者 | Raux, B, Rebuffet, E, Betzi, S, Morelli, X. | 登録日 | 2015-09-07 | 公開日 | 2016-06-01 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Protein-Protein Interaction Inhibition (2P2I)-Oriented Chemical Library Accelerates Hit Discovery. Acs Chem.Biol., 11, 2016
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5DLZ
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![BU of 5dlz by Molmil](/molmil-images/mine/5dlz) | FIRST DOMAIN OF HUMAN BROMODOMAIN BRD4 IN COMPLEX WITH INHIBITOR 4-[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]-N-({1-[(3-methylphe methyl]piperidin-4-yl}methyl)butanamide | 分子名称: | Bromodomain-containing protein 4, N-{[1-(3-methylbenzyl)piperidin-4-yl]methyl}-4-[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]butanamide | 著者 | Raux, B, Rebuffet, E, Betzi, S, Morelli, X. | 登録日 | 2015-09-07 | 公開日 | 2016-06-01 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Protein-Protein Interaction Inhibition (2P2I)-Oriented Chemical Library Accelerates Hit Discovery. Acs Chem.Biol., 11, 2016
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3H0F
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![BU of 3h0f by Molmil](/molmil-images/mine/3h0f) | Crystal structure of the human Fyn SH3 R96W mutant | 分子名称: | 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, Proto-oncogene tyrosine-protein kinase Fyn | 著者 | Ponchon, L, Hoh, F, Labesse, G, Dumas, C, Arold, S.T. | 登録日 | 2009-04-09 | 公開日 | 2010-04-21 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.61 Å) | 主引用文献 | Synergy and allostery in ligand binding by HIV-1 Nef. Biochem.J., 478, 2021
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3H0I
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3H0H
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5GMJ
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![BU of 5gmj by Molmil](/molmil-images/mine/5gmj) | Crystal Structure of GRASP55 GRASP domain in complex with JAM-B C-terminus | 分子名称: | Golgi reassembly-stacking protein 2, Junctional adhesion molecule B | 著者 | Shi, N, Shi, X, Morelli, X, Betzi, S, Huang, X. | 登録日 | 2016-07-14 | 公開日 | 2017-05-24 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.986 Å) | 主引用文献 | Genetic, structural, and chemical insights into the dual function of GRASP55 in germ cell Golgi remodeling and JAM-C polarized localization during spermatogenesis PLoS Genet., 13, 2017
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5GMI
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![BU of 5gmi by Molmil](/molmil-images/mine/5gmi) | Crystal Structure of GRASP55 GRASP domain in complex with JAM-C C-terminus | 分子名称: | Golgi reassembly-stacking protein 2, Junctional adhesion molecule C | 著者 | Shi, N, Shi, X, Morelli, X, Betzi, S, Huang, X. | 登録日 | 2016-07-14 | 公開日 | 2017-05-24 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.71 Å) | 主引用文献 | Genetic, structural, and chemical insights into the dual function of GRASP55 in germ cell Golgi remodeling and JAM-C polarized localization during spermatogenesis PLoS Genet., 13, 2017
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5EGU
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![BU of 5egu by Molmil](/molmil-images/mine/5egu) | FIRST DOMAIN OF HUMAN BROMODOMAIN BRD4 IN COMPLEX WITH INHIBITOR 3-Butyl-8-(6-butyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanylmethyl)-7-ethyl-3,7-dihydropurine-2,6-dione | 分子名称: | 1,2-ETHANEDIOL, 3-butyl-8-[(6-butyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-7-ethyl-purine-2,6-dione, Bromodomain-containing protein 4 | 著者 | Raux, B, Rebuffet, E, Betzi, S, Priet, S, Morelli, X. | 登録日 | 2015-10-27 | 公開日 | 2016-01-20 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.21 Å) | 主引用文献 | Exploring Selective Inhibition of the First Bromodomain of the Human Bromodomain and Extra-terminal Domain (BET) Proteins. J.Med.Chem., 59, 2016
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5EI4
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![BU of 5ei4 by Molmil](/molmil-images/mine/5ei4) | First domain of human bromodomain BRD4 in complex with inhibitor 8-(5-Amino-1H-[1,2,4]triazol-3-ylsulfanylmethyl)-3-(4-chlorobenzyl)-7-ethyl-3,7-dihydropurine-2,6-dione | 分子名称: | 1,2-ETHANEDIOL, 8-[(3-azanyl-1~{H}-1,2,4-triazol-5-yl)sulfanylmethyl]-3-[(4-chlorophenyl)methyl]-7-ethyl-purine-2,6-dione, Bromodomain-containing protein 4 | 著者 | Raux, B, Rebuffet, E, Betzi, S, Morelli, X. | 登録日 | 2015-10-29 | 公開日 | 2016-01-20 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.05 Å) | 主引用文献 | Exploring Selective Inhibition of the First Bromodomain of the Human Bromodomain and Extra-terminal Domain (BET) Proteins. J.Med.Chem., 59, 2016
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5EIS
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![BU of 5eis by Molmil](/molmil-images/mine/5eis) | FIRST DOMAIN OF HUMAN BROMODOMAIN BRD4 IN COMPLEX WITH INHIBITOR 3-(4-Chlorobenzyl)-7-ethyl-3,7-dihydropurine-2,6-dione | 分子名称: | 1,2-ETHANEDIOL, 3-[(4-chlorophenyl)methyl]-7-ethyl-purine-2,6-dione, Bromodomain-containing protein 4 | 著者 | Raux, B, Rebuffet, E, Betzi, S, Morelli, X. | 登録日 | 2015-10-30 | 公開日 | 2016-01-20 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Exploring Selective Inhibition of the First Bromodomain of the Human Bromodomain and Extra-terminal Domain (BET) Proteins. J.Med.Chem., 59, 2016
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