6I1S
| Crystal structure of the ACVR1 (ALK2) kinase in complex with FKBP12 and the inhibitor E6201 | 分子名称: | (4~{S},5~{R},6~{Z},9~{S},10~{S},12~{E})-16-(ethylamino)-4,5-dimethyl-9,10,18-tris(oxidanyl)-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione, 1,2-ETHANEDIOL, Activin receptor type-1, ... | 著者 | Williams, E.P, Pinkas, D.M, Fortin, J, Newman, J.A, Bradshaw, W.J, Mahajan, P, Kupinska, K, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N. | 登録日 | 2018-10-30 | 公開日 | 2019-09-11 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.52 Å) | 主引用文献 | Mutant ACVR1 Arrests Glial Cell Differentiation to Drive Tumorigenesis in Pediatric Gliomas. Cancer Cell, 37, 2020
|
|
8R7G
| Crystal structure of the kinase domain of ACVR1 (ALK2) with M4K2234 | 分子名称: | 2-fluoranyl-6-methoxy-4-[4-methyl-5-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pyridin-3-yl]benzamide, Activin receptor type I | 著者 | Williams, E.P, Cros, J, Ensan, D, Smil, D, Edwards, A.M, O'Meara, J.A, Fernandez-Cid, A, Isaac, M.B, Al-awar, R, Bullock, A.N. | 登録日 | 2023-11-24 | 公開日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.09 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
|
|
6ZGC
| Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound Saracatinib (AZD0530) | 分子名称: | Activin receptor type I, N-(5-CHLORO-1,3-BENZODIOXOL-4-YL)-7-[2-(4-METHYLPIPERAZIN-1-YL)ETHOXY]-5-(TETRAHYDRO-2H-PYRAN-4-YLOXY)QUINAZOLIN-4-AMINE, PHOSPHATE ION, ... | 著者 | Williams, E.P, Galan Bartual, S, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N. | 登録日 | 2020-06-18 | 公開日 | 2020-07-29 | 最終更新日 | 2024-10-16 | 実験手法 | X-RAY DIFFRACTION (2.67 Å) | 主引用文献 | Saracatinib is an efficacious clinical candidate for fibrodysplasia ossificans progressiva. JCI Insight, 6, 2021
|
|
6TN8
| Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound BI-9564 | 分子名称: | 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, 4-[4-[(dimethylamino)methyl]-2,5-dimethoxy-phenyl]-2-methyl-2,7-naphthyridin-1-one, ... | 著者 | Williams, E.P, Chen, Z, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N. | 登録日 | 2019-12-06 | 公開日 | 2019-12-18 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | 主引用文献 | Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound BI-9564 To Be Published
|
|
6EIX
| Crystal structure of the kinase domain of the Q207E mutant of ACVR1 (ALK2) in complex with a 2-aminopyridine inhibitor K02288 | 分子名称: | 1,2-ETHANEDIOL, 3-[6-amino-5-(3,4,5-trimethoxyphenyl)pyridin-3-yl]phenol, Activin receptor type-1 | 著者 | Williams, E.P, Canning, P, Sanvitale, C.E, Krojer, T, Allerston, C.K, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N. | 登録日 | 2017-09-19 | 公開日 | 2017-09-27 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Crystal structure of the kinase domain of the Q207E mutant of ACVR1 (ALK2) in complex with K02288 To be published
|
|
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
|
|
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
|
|
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
|
|
5S7K
| XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010936a | 分子名称: | (3R)-3-aminobutanamide, 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 (1.31 Å) | 主引用文献 | XChem group deposition To Be Published
|
|
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
|
|
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
|
|
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
|
|
5S89
| XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010957a | 分子名称: | (2R)-2-aminobutanamide, 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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
5S7X
| XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM000376d | 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
|
|
5S7J
| XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM000893d | 分子名称: | 1,2-ETHANEDIOL, 1-[(2R)-oxolan-2-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 (1.31 Å) | 主引用文献 | XChem group deposition To Be Published
|
|
5S7U
| XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010938a | 分子名称: | (4S)-1-methylimidazolidin-4-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 (1.59 Å) | 主引用文献 | XChem group deposition To Be Published
|
|
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
|
|
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
|
|
5S82
| XChem group deposition -- Crystal Structure of human ACVR1 in complex with XS035128c | 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 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.71 Å) | 主引用文献 | XChem group deposition To Be Published
|
|
5S75
| XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010913a | 分子名称: | 1,2-ETHANEDIOL, 1~{H}-1,2,3-triazole, 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
|
|
5S7A
| XChem group deposition -- Crystal Structure of human ACVR1 in complex with PK012456b | 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
|
|