6Z36
| Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2118 | 分子名称: | 1,2-ETHANEDIOL, 4-methyl-3-(4-piperidin-4-ylphenyl)-5-(3,4,5-trimethoxyphenyl)pyridine, AMMONIUM ION, ... | 著者 | Adamson, R.J, Williams, E.P, Smil, D, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N. | 登録日 | 2020-05-19 | 公開日 | 2020-05-27 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.37 Å) | 主引用文献 | Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2118 To Be Published
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7A21
| Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2158 | 分子名称: | 1,2-ETHANEDIOL, 4-methyl-3-[4-(pyrrolidin-1-ylmethyl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine, Activin receptor type I, ... | 著者 | Adamson, R.J, Williams, E.P, Smil, D, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N. | 登録日 | 2020-08-14 | 公開日 | 2020-09-16 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.14 Å) | 主引用文献 | Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2153 To Be Published
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5NLB
| Crystal structure of human CUL3 N-terminal domain bound to KEAP1 BTB and 3-box | 分子名称: | Cullin-3, Kelch-like ECH-associated protein 1 | 著者 | Adamson, R, Krojer, T, Pinkas, D.M, Bartual, S.G, Burgess-Brown, N.A, Borkowska, O, Chalk, R, Newman, J.A, Kopec, J, Dixon-Clarke, S.E, Mathea, S, Sethi, R, Velupillai, S, Mackinnon, S, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A. | 登録日 | 2017-04-04 | 公開日 | 2017-04-19 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (3.45 Å) | 主引用文献 | Structural and biochemical characterization establishes a detailed understanding of KEAP1-CUL3 complex assembly. Free Radic Biol Med, 204, 2023
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6T6D
| Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2149 | 分子名称: | 2-methoxy-4-[4-methyl-5-(4-piperazin-1-ylphenyl)pyridin-3-yl]benzamide, Activin receptor type I, SULFATE ION | 著者 | Adamson, R.J, Williams, E.P, Smil, D, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N. | 登録日 | 2019-10-18 | 公開日 | 2019-10-30 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.56 Å) | 主引用文献 | Targeting ALK2: An Open Science Approach to Developing Therapeutics for the Treatment of Diffuse Intrinsic Pontine Glioma. J.Med.Chem., 63, 2020
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6SZM
| Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2009 | 分子名称: | 1,2-ETHANEDIOL, 1-[4-[4-methyl-5-(3,4,5-trimethoxyphenyl)pyridin-3-yl]phenyl]piperazine, AMMONIUM ION, ... | 著者 | Adamson, R.J, Williams, E.P, Smil, D, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N. | 登録日 | 2019-10-02 | 公開日 | 2019-10-16 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | 主引用文献 | Leveraging an Open Science Drug Discovery Model to Develop CNS-Penetrant ALK2 Inhibitors for the Treatment of Diffuse Intrinsic Pontine Glioma. J.Med.Chem., 63, 2020
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6SRH
| Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2117 | 分子名称: | 1,2-ETHANEDIOL, 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine, Activin receptor type-1, ... | 著者 | Adamson, R.J, Williams, E.P, Smil, D, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N. | 登録日 | 2019-09-05 | 公開日 | 2019-09-18 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | 主引用文献 | Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2117 To Be Published
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6T8N
| Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K3007 | 分子名称: | 1,2-ETHANEDIOL, Activin receptor type I, DIMETHYL SULFOXIDE, ... | 著者 | Adamson, R.J, Williams, E.P, Bonomo, S, Rankin, S, Bacos, D, Rae, A, Cramp, S, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N. | 登録日 | 2019-10-24 | 公開日 | 2019-11-27 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | 主引用文献 | Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K3007 To Be Published
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3L0H
| Crystal Structure Analysis of W21A mutant of human GSTA1-1 in complex with S-hexylglutathione | 分子名称: | Glutathione S-transferase A1, S-HEXYLGLUTATHIONE | 著者 | Fanucchi, S, Achilonu, I.A, Adamson, R.J, Fernandes, M.A, Burke, J.P, Dirr, H.W. | 登録日 | 2009-12-10 | 公開日 | 2010-01-12 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.13 Å) | 主引用文献 | Stability of the domain interface contributes towards the catalytic function at the H-site of class alpha glutathione transferase A1-1. Biochim.Biophys.Acta, 1804, 2010
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3O3T
| Crystal Structure Analysis of M32A mutant of human CLIC1 | 分子名称: | Chloride intracellular channel protein 1 | 著者 | Fanucchi, S, Achilonu, I.A, Adamson, R.J, Fernandes, M.A, Stoychev, S, Dirr, H.W. | 登録日 | 2010-07-26 | 公開日 | 2010-08-11 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Crystal Structure Analysis of M32A mutant of human CLIC1 To be Published
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5G3Q
| Crystal structure of a hypothetical domain in WNK1 | 分子名称: | WNK1 | 著者 | Pinkas, D.M, Bufton, J.C, Sanvitale, C.E, Bartual, S.G, Adamson, R.J, Krojer, T, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A. | 登録日 | 2016-04-29 | 公開日 | 2017-05-31 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.613 Å) | 主引用文献 | Crystal Structure of a Hypothetical Domain in Wnk1 To be Published
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5L6W
| Structure Of the LIMK1-ATPgammaS-CFL1 Complex | 分子名称: | Cofilin-1, LIM domain kinase 1, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER | 著者 | Salah, E, Mathea, S, Oerum, S, Newman, J.A, Tallant, C, Adamson, R, Canning, P, Beltrami, A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Bullock, A.N. | 登録日 | 2016-05-31 | 公開日 | 2016-06-08 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.53 Å) | 主引用文献 | Structure Of the LIMK1-ATPgammaS-CFL1 Complex To Be Published
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5S7N
| XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010920a | 分子名称: | 1,2-ETHANEDIOL, 1H-imidazol-2-amine, 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine, ... | 著者 | Williams, E.P, Adamson, R.J, Smil, D, Krojer, T, Burgess-Brown, N, von Delft, F, Bountra, C, Bullock, A.N. | 登録日 | 2020-12-11 | 公開日 | 2021-06-23 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | XChem group deposition To Be Published
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5S7W
| XChem group deposition -- Crystal Structure of human ACVR1 in complex with HM000007h | 分子名称: | 1,2-ETHANEDIOL, 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine, Activin receptor type-1, ... | 著者 | Williams, E.P, Adamson, R.J, Smil, D, Krojer, T, Burgess-Brown, N, von Delft, F, Bountra, C, Bullock, A.N. | 登録日 | 2020-12-11 | 公開日 | 2021-06-23 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.33 Å) | 主引用文献 | XChem group deposition To Be Published
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5S7Y
| XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010933a | 分子名称: | (2S,4R)-1,3-thiazolidine-2,4-diamine, 1,2-ETHANEDIOL, 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine, ... | 著者 | Williams, E.P, Adamson, R.J, Smil, D, Krojer, T, Burgess-Brown, N, von Delft, F, Bountra, C, Bullock, A.N. | 登録日 | 2020-12-11 | 公開日 | 2021-06-23 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.37 Å) | 主引用文献 | XChem group deposition To Be Published
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5S84
| XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010949a | 分子名称: | 1,2-ETHANEDIOL, 1-[(4R)-1,3-oxazolidin-4-yl]methanamine, 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine, ... | 著者 | Williams, E.P, Adamson, R.J, Smil, D, Krojer, T, Burgess-Brown, N, von Delft, F, Bountra, C, Bullock, A.N. | 登録日 | 2020-12-11 | 公開日 | 2021-06-23 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | XChem group deposition To Be Published
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5S8A
| XChem group deposition -- Crystal Structure of human ACVR1 in complex with NU074484b | 分子名称: | (4S)-imidazolidine-4-carbonitrile, 1,2-ETHANEDIOL, 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine, ... | 著者 | Williams, E.P, Adamson, R.J, Smil, D, Krojer, T, Burgess-Brown, N, von Delft, F, Bountra, C, Bullock, A.N. | 登録日 | 2020-12-11 | 公開日 | 2021-06-23 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | XChem group deposition To Be Published
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5S7M
| XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM000275d | 分子名称: | 1,2-ETHANEDIOL, 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine, Activin receptor type-1, ... | 著者 | Williams, E.P, Adamson, R.J, Smil, D, Krojer, T, Burgess-Brown, N, von Delft, F, Bountra, C, Bullock, A.N. | 登録日 | 2020-12-11 | 公開日 | 2021-06-23 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.32 Å) | 主引用文献 | XChem group deposition To Be Published
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5S78
| XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010934a | 分子名称: | 1,2-ETHANEDIOL, 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine, Activin receptor type-1, ... | 著者 | Williams, E.P, Adamson, R.J, Smil, D, Krojer, T, Burgess-Brown, N, von Delft, F, Bountra, C, Bullock, A.N. | 登録日 | 2020-12-11 | 公開日 | 2021-06-23 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | XChem group deposition To Be Published
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5S7Q
| XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010944a | 分子名称: | 1,2-ETHANEDIOL, 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine, 5-methyl-1H-tetrazole, ... | 著者 | Williams, E.P, Adamson, R.J, Smil, D, Krojer, T, Burgess-Brown, N, von Delft, F, Bountra, C, Bullock, A.N. | 登録日 | 2020-12-11 | 公開日 | 2021-06-23 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.53 Å) | 主引用文献 | XChem group deposition To Be Published
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5S85
| XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM000884c | 分子名称: | (3R)-1,2-oxazolidin-3-amine, 1,2-ETHANEDIOL, 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine, ... | 著者 | Williams, E.P, Adamson, R.J, Smil, D, Krojer, T, Burgess-Brown, N, von Delft, F, Bountra, C, Bullock, A.N. | 登録日 | 2020-12-11 | 公開日 | 2021-06-23 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.33 Å) | 主引用文献 | XChem group deposition To Be Published
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5S7C
| XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM000274c | 分子名称: | 1,2-ETHANEDIOL, 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine, Activin receptor type-1, ... | 著者 | Williams, E.P, Adamson, R.J, Smil, D, Krojer, T, Burgess-Brown, N, von Delft, F, Bountra, C, Bullock, A.N. | 登録日 | 2020-12-11 | 公開日 | 2021-06-23 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.31 Å) | 主引用文献 | XChem group deposition To Be Published
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5S8B
| XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010960a | 分子名称: | 1,2-ETHANEDIOL, 1lambda~6~-thietane-1,1-dione, 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine, ... | 著者 | Williams, E.P, Adamson, R.J, Smil, D, Krojer, T, Burgess-Brown, N, von Delft, F, Bountra, C, Bullock, A.N. | 登録日 | 2020-12-11 | 公開日 | 2021-06-23 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.64 Å) | 主引用文献 | XChem group deposition To Be Published
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5S7P
| XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010937a | 分子名称: | 1,2-ETHANEDIOL, 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine, Activin receptor type-1, ... | 著者 | Williams, E.P, Adamson, R.J, Smil, D, Krojer, T, Burgess-Brown, N, von Delft, F, Bountra, C, Bullock, A.N. | 登録日 | 2020-12-11 | 公開日 | 2021-06-23 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.31 Å) | 主引用文献 | XChem group deposition To Be Published
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5S7G
| XChem group deposition -- Crystal Structure of human ACVR1 in complex with XS035844b | 分子名称: | 1,2-ETHANEDIOL, 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine, Activin receptor type-1, ... | 著者 | Williams, E.P, Adamson, R.J, Smil, D, Krojer, T, Burgess-Brown, N, von Delft, F, Bountra, C, Bullock, A.N. | 登録日 | 2020-12-11 | 公開日 | 2021-06-23 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | 主引用文献 | XChem group deposition To Be Published
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5S7S
| XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010921a | 分子名称: | 1,2-ETHANEDIOL, 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine, Activin receptor type-1, ... | 著者 | Williams, E.P, Adamson, R.J, Smil, D, Krojer, T, Burgess-Brown, N, von Delft, F, Bountra, C, Bullock, A.N. | 登録日 | 2020-12-11 | 公開日 | 2021-06-23 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | XChem group deposition To Be Published
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