7AFU
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![BU of 7afu by Molmil](/molmil-images/mine/7afu) | The structure of Artemis variant H33A | 分子名称: | 1,2-ETHANEDIOL, Protein artemis, ZINC ION | 著者 | Yosaatmadja, Y, Goubin, S, Newman, J.A, Mukhopadhyay, S.M.M, Dannerfjord, A.A, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Bountra, C, Gileadi, O. | 登録日 | 2020-09-20 | 公開日 | 2020-10-28 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.56 Å) | 主引用文献 | Structural and mechanistic insights into the Artemis endonuclease and strategies for its inhibition. Nucleic Acids Res., 49, 2021
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6FD3
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![BU of 6fd3 by Molmil](/molmil-images/mine/6fd3) | Thiophosphorylated PAK3 kinase domain | 分子名称: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | 著者 | Sorrell, F.J, Wang, D, von Delft, F, Bountra, C, Edwards, A.M, Elkins, J.M. | 登録日 | 2017-12-21 | 公開日 | 2018-01-03 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.52 Å) | 主引用文献 | Solution structures and biophysical analysis of full-length group A PAKs reveal they are monomeric and auto-inhibited incis. Biochem.J., 476, 2019
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6FT3
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![BU of 6ft3 by Molmil](/molmil-images/mine/6ft3) | Crystal Structure of the first bromodomain of human BRD4 in complex with a 3,5-dimethylisoxazol ligand | 分子名称: | 1,2-ETHANEDIOL, 3-[(~{R})-cyclopropyl(oxidanyl)methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)phenol, Bromodomain-containing protein 4 | 著者 | Filippakopoulos, P, Picaud, S, Pike, A.C.W, Krojer, T, Conway, S.J, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Structural Genomics Consortium (SGC) | 登録日 | 2018-02-20 | 公開日 | 2018-04-18 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.28 Å) | 主引用文献 | BET bromodomain ligands: Probing the WPF shelf to improve BRD4 bromodomain affinity and metabolic stability. Bioorg.Med.Chem., 26, 2018
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6FNU
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![BU of 6fnu by Molmil](/molmil-images/mine/6fnu) | Structure of S. cerevisiae Methylenetetrahydrofolate reductase 1, catalytic domain | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, Methylenetetrahydrofolate reductase 1 | 著者 | Kopec, J, Rembeza, E, Bezerra, G.A, Newman, J, Bountra, C, Froese, D.S, Baumgartner, M, Yue, W.W, Structural Genomics Consortium (SGC) | 登録日 | 2018-02-05 | 公開日 | 2018-03-07 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.56 Å) | 主引用文献 | Structural basis for the regulation of human 5,10-methylenetetrahydrofolate reductase by phosphorylation and S-adenosylmethionine inhibition. Nat Commun, 9, 2018
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4EZH
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6FSY
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![BU of 6fsy by Molmil](/molmil-images/mine/6fsy) | Crystal Structure of the first bromodomain of human BRD4 in complex with a 3,5-dimethylisoxazol ligand | 分子名称: | 1,2-ETHANEDIOL, 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(~{R})-oxidanyl(pyridin-3-yl)methyl]phenol, Bromodomain-containing protein 4 | 著者 | Filippakopoulos, P, Picaud, S, Conway, S.J, Pike, A.C.W, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Structural Genomics Consortium (SGC) | 登録日 | 2018-02-20 | 公開日 | 2018-04-18 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.34 Å) | 主引用文献 | BET bromodomain ligands: Probing the WPF shelf to improve BRD4 bromodomain affinity and metabolic stability. Bioorg.Med.Chem., 26, 2018
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6FT4
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![BU of 6ft4 by Molmil](/molmil-images/mine/6ft4) | Crystal Structure of the first bromodomain of human BRD4 in complex with a 3,5-dimethylisoxazol ligand | 分子名称: | 3-[[4,4-bis(fluoranyl)piperidin-1-yl]methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)phenol, Bromodomain-containing protein 4 | 著者 | Filippakopoulos, P, Picaud, S, Pike, A.C.W, Krojer, T, Conway, S.J, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C. | 登録日 | 2018-02-20 | 公開日 | 2018-04-18 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.34 Å) | 主引用文献 | BET bromodomain ligands: Probing the WPF shelf to improve BRD4 bromodomain affinity and metabolic stability. Bioorg.Med.Chem., 26, 2018
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4EZ4
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![BU of 4ez4 by Molmil](/molmil-images/mine/4ez4) | free KDM6B structure | 分子名称: | Lysine-specific demethylase 6B, N-OXALYLGLYCINE, NICKEL (II) ION, ... | 著者 | Cheng, Z.J, Patel, D.J. | 登録日 | 2012-05-02 | 公開日 | 2012-08-08 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.99 Å) | 主引用文献 | A selective jumonji H3K27 demethylase inhibitor modulates the proinflammatory macrophage response. Nature, 488, 2012
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4EYU
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7NNG
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![BU of 7nng by Molmil](/molmil-images/mine/7nng) | Crystal structure of the SARS-CoV-2 helicase in complex with Z2327226104 | 分子名称: | 1-(2-methylphenyl)-1,2,3-triazole-4-carboxylic acid, PHOSPHATE ION, SARS-CoV-2 helicase NSP13, ... | 著者 | Newman, J.A, Yosaatmadja, Y, Douangamath, A, Bountra, C, Gileadi, O. | 登録日 | 2021-02-24 | 公開日 | 2021-04-07 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (2.38 Å) | 主引用文献 | Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase. Nat Commun, 12, 2021
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2XUE
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![BU of 2xue by Molmil](/molmil-images/mine/2xue) | CRYSTAL STRUCTURE OF JMJD3 | 分子名称: | 2-OXOGLUTARIC ACID, FE (III) ION, LYSINE-SPECIFIC DEMETHYLASE 6B, ... | 著者 | Chung, C, Rowland, P, Mosley, J, Thomas, P.J. | 登録日 | 2010-10-19 | 公開日 | 2011-12-28 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | A Selective Jumonji H3K27 Demethylase Inhibitor Modulates the Proinflammatory Macrophage Response Nature, 488, 2012
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7NIO
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![BU of 7nio by Molmil](/molmil-images/mine/7nio) | Crystal structure of the SARS-CoV-2 helicase APO form | 分子名称: | SARS-CoV-2 helicase NSP13, ZINC ION | 著者 | Newman, J.A, Yosaatmadja, Y, Douangamath, A, Bountra, C, Gileadi, O. | 登録日 | 2021-02-12 | 公開日 | 2021-03-17 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase. Nat Commun, 12, 2021
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7NN0
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![BU of 7nn0 by Molmil](/molmil-images/mine/7nn0) | Crystal structure of the SARS-CoV-2 helicase in complex with AMP-PNP | 分子名称: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, SARS-CoV-2 helicase NSP13, ... | 著者 | Newman, J.A, Yosaatmadja, Y, Douangamath, A, Bountra, C, Gileadi, O. | 登録日 | 2021-02-23 | 公開日 | 2021-03-24 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (3.04 Å) | 主引用文献 | Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase. Nat Commun, 12, 2021
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5WP3
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![BU of 5wp3 by Molmil](/molmil-images/mine/5wp3) | Crystal Structure of EED in complex with EB22 | 分子名称: | EB22, Polycomb protein EED, UNKNOWN ATOM OR ION | 著者 | Dong, C, Tempel, W, Zhu, L, Moody, J.D, Baker, D, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | 登録日 | 2017-08-03 | 公開日 | 2017-09-13 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | 主引用文献 | First critical repressive H3K27me3 marks in embryonic stem cells identified using designed protein inhibitor. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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8RU1
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![BU of 8ru1 by Molmil](/molmil-images/mine/8ru1) | Chromatin remodeling regulator CECR2 with in crystallo disulfide bond | 分子名称: | Chromatin remodeling regulator CECR2, GLYCEROL, SODIUM ION | 著者 | Fairhead, M, Strain-Damerell, C, Ye, M, Mackinnon, S.R, Pinkas, D, MacLean, E.M, Koekemoer, L, Damerell, D, Krojer, T, Arrowsmith, C.H, Edwards, A, Bountra, C, Yue, W, Burgess-Brown, N, Marsden, B, von Delft, F, Structural Genomics Consortium (SGC) | 登録日 | 2024-01-29 | 公開日 | 2024-03-06 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.66 Å) | 主引用文献 | A fast, parallel method for efficiently exploring crystallization behaviour of large numbers of protein variants To Be Published
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8RU5
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![BU of 8ru5 by Molmil](/molmil-images/mine/8ru5) | ATPase family AAA domain containing 2 with crystallization epitope mutations V1022R:Q1027E | 分子名称: | 1,2-ETHANEDIOL, ATPase family AAA domain-containing protein 2 | 著者 | Fairhead, M, Strain-Damerell, C, Ye, M, Mackinnon, S.R, Pinkas, D, MacLean, E.M, Koekemoer, L, Damerell, D, Krojer, T, Arrowsmith, C.H, Edwards, A, Bountra, C, Yue, W, Burgess-Brown, N, Marsden, B, von Delft, F, Structural Genomics Consortium (SGC) | 登録日 | 2024-01-30 | 公開日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.36 Å) | 主引用文献 | A fast, parallel method for efficiently exploring crystallization behaviour of large numbers of protein variants To Be Published
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4USF
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![BU of 4usf by Molmil](/molmil-images/mine/4usf) | Human SLK with SB-440719 | 分子名称: | 4-[4-(6-methoxynaphthalen-2-yl)-1H-imidazol-5-yl]pyridine, STE20-LIKE SERINE/THREONINE-PROTEIN KINASE | 著者 | Elkins, J.M, Salah, E, Szklarz, M, von Delft, F, Bountra, C, Edwards, A.M, Knapp, S. | 登録日 | 2014-07-07 | 公開日 | 2015-07-22 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Comprehensive Characterization of the Published Kinase Inhibitor Set. Nat.Biotechnol., 34, 2016
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4W9W
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![BU of 4w9w by Molmil](/molmil-images/mine/4w9w) | Crystal Structure of BMP-2-inducible kinase in complex with small molecule AZD-7762 | 分子名称: | 1,2-ETHANEDIOL, 5-(3-fluorophenyl)-N-[(3S)-3-piperidyl]-3-ureido-thiophene-2-carboxamide, BMP-2-inducible protein kinase | 著者 | Sorrell, F.J, Elkins, J.M, Krojer, T, Savitsky, P, Williams, E, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2014-08-28 | 公開日 | 2014-09-10 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | 主引用文献 | Family-wide Structural Analysis of Human Numb-Associated Protein Kinases. Structure, 24, 2016
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4URA
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![BU of 4ura by Molmil](/molmil-images/mine/4ura) | Crystal structure of human JMJD2A in complex with compound 14a | 分子名称: | 1,2-ETHANEDIOL, 2-(2H-1,2,3-triazol-4-yl)pyridine-4-carboxylic acid, LYSINE-SPECIFIC DEMETHYLASE 4A, ... | 著者 | Krojer, T, England, K.S, Vollmar, M, Crawley, L, Williams, E, Riesebos, E, Szykowska, A, Burgess-Brown, N, Oppermann, U, Brennan, P.E, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. | 登録日 | 2014-06-27 | 公開日 | 2015-06-17 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.23 Å) | 主引用文献 | Optimisation of a triazolopyridine based histone demethylase inhibitor yields a potent and selective KDM2A (FBXL11) inhibitor. Medchemcomm, 5, 2014
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4W9X
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![BU of 4w9x by Molmil](/molmil-images/mine/4w9x) | Crystal Structure of BMP-2-inducible kinase in complex with baricitinib | 分子名称: | 1,2-ETHANEDIOL, BMP-2-inducible protein kinase, Baricitinib | 著者 | Sorrell, F.J, Elkins, J.M, Krojer, T, Williams, E, Savitsky, P, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2014-08-28 | 公開日 | 2014-09-10 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.14 Å) | 主引用文献 | Family-wide Structural Analysis of Human Numb-Associated Protein Kinases. Structure, 24, 2016
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4WCI
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![BU of 4wci by Molmil](/molmil-images/mine/4wci) | Crystal structure of the 1st SH3 domain from human CD2AP (CMS) in complex with a proline-rich peptide (aa 378-393) from human RIN3 | 分子名称: | CD2-associated protein, Ras and Rab interactor 3, SULFATE ION | 著者 | Rouka, E, Simister, P.C, Janning, M, Kirsch, K.H, Krojer, T, Knapp, S, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Feller, S.M, Structural Genomics Consortium (SGC) | 登録日 | 2014-09-04 | 公開日 | 2015-08-19 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Differential Recognition Preferences of the Three Src Homology 3 (SH3) Domains from the Adaptor CD2-associated Protein (CD2AP) and Direct Association with Ras and Rab Interactor 3 (RIN3). J.Biol.Chem., 290, 2015
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4V0P
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![BU of 4v0p by Molmil](/molmil-images/mine/4v0p) | Crystal structure of the MAGE homology domain of human MAGE-A3 | 分子名称: | MELANOMA-ASSOCIATED ANTIGEN 3 | 著者 | Newman, J.A, Aitkenhead, H, Cooper, C.D.O, Pinkas, D.M, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | 登録日 | 2014-09-17 | 公開日 | 2014-10-01 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | 主引用文献 | Structures of Two Melanoma-Associated Antigens Suggest Allosteric Regulation of Effector Binding. Plos One, 11, 2016
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4USD
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![BU of 4usd by Molmil](/molmil-images/mine/4usd) | Human STK10 (LOK) with SB-633825 | 分子名称: | 4-{5-(6-methoxynaphthalen-2-yl)-1-methyl-2-[2-methyl-4-(methylsulfonyl)phenyl]-1H-imidazol-4-yl}pyridine, SERINE/THREONINE-PROTEIN KINASE 10 | 著者 | Elkins, J.M, Salah, E, Szklarz, M, von Delft, F, Canning, P, Raynor, J, Bountra, C, Edwards, A.M, Knapp, S. | 登録日 | 2014-07-07 | 公開日 | 2015-07-22 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (3.05 Å) | 主引用文献 | Comprehensive Characterization of the Published Kinase Inhibitor Set. Nat.Biotechnol., 34, 2016
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4WSQ
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![BU of 4wsq by Molmil](/molmil-images/mine/4wsq) | Crystal Structure of Adaptor Protein 2 Associated Kinase (AAK1) in complex with small molecule inhibitor | 分子名称: | 1,2-ETHANEDIOL, AP2-associated protein kinase 1, K-252A, ... | 著者 | Sorrell, F.J, Elkins, J.M, Krojer, T, Williams, E, Abdul, K, Gileadi, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2014-10-28 | 公開日 | 2014-11-05 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Family-wide Structural Analysis of Human Numb-Associated Protein Kinases. Structure, 24, 2016
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5DYL
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![BU of 5dyl by Molmil](/molmil-images/mine/5dyl) | Crystal structure of the cGMP-dependent protein kinase PKG from Plasmodium Vivax - Apo form | 分子名称: | cGMP-dependent protein kinase, putative | 著者 | Wernimont, A.K, Tempel, W, He, H, Seitova, A, Hills, T, Neculai, A.M, Baker, D.A, Flueck, C, Kettleborough, C.A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Hui, R, Hutchinson, A, El Bakkouri, M, Structural Genomics Consortium (SGC) | 登録日 | 2015-09-24 | 公開日 | 2015-11-04 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Structures of the cGMP-dependent protein kinase in malaria parasites reveal a unique structural relay mechanism for activation. Proc.Natl.Acad.Sci.USA, 116, 2019
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