6RUU
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![BU of 6ruu by Molmil](/molmil-images/mine/6ruu) | Pseudokinase domain of human IRAK3 | Descriptor: | GLYCEROL, Interleukin-1 receptor-associated kinase 3, MERCURY (II) ION, ... | Authors: | Lange, S.M, Kulathu, Y, Cohen, P. | Deposit date: | 2019-05-29 | Release date: | 2020-09-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Dimeric Structure of the Pseudokinase IRAK3 Suggests an Allosteric Mechanism for Negative Regulation. Structure, 29, 2021
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6RFP
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![BU of 6rfp by Molmil](/molmil-images/mine/6rfp) | ERK2 MAP kinase with mutations at Helix-G | Descriptor: | Mitogen-activated protein kinase 1 | Authors: | Livnah, O, Eitan-Wexler, M. | Deposit date: | 2019-04-16 | Release date: | 2020-05-13 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | The bacterial metalloprotease NleD selectively cleaves mitogen-activated protein kinases that have high flexibility in their activation loop. J.Biol.Chem., 295, 2020
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5S7N
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![BU of 5s7n by Molmil](/molmil-images/mine/5s7n) | XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010920a | Descriptor: | 1,2-ETHANEDIOL, 1H-imidazol-2-amine, 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine, ... | Authors: | Williams, E.P, Adamson, R.J, Smil, D, Krojer, T, Burgess-Brown, N, von Delft, F, Bountra, C, Bullock, A.N. | Deposit date: | 2020-12-11 | Release date: | 2021-06-23 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | XChem group deposition To Be Published
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5S7W
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![BU of 5s7w by Molmil](/molmil-images/mine/5s7w) | XChem group deposition -- Crystal Structure of human ACVR1 in complex with HM000007h | Descriptor: | 1,2-ETHANEDIOL, 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine, Activin receptor type-1, ... | Authors: | Williams, E.P, Adamson, R.J, Smil, D, Krojer, T, Burgess-Brown, N, von Delft, F, Bountra, C, Bullock, A.N. | Deposit date: | 2020-12-11 | Release date: | 2021-06-23 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.33 Å) | Cite: | XChem group deposition To Be Published
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5S7Y
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![BU of 5s7y by Molmil](/molmil-images/mine/5s7y) | XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010933a | Descriptor: | (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, ... | Authors: | Williams, E.P, Adamson, R.J, Smil, D, Krojer, T, Burgess-Brown, N, von Delft, F, Bountra, C, Bullock, A.N. | Deposit date: | 2020-12-11 | Release date: | 2021-06-23 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | XChem group deposition To Be Published
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6RQ4
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![BU of 6rq4 by Molmil](/molmil-images/mine/6rq4) | Inhibitor of ERK2 | Descriptor: | 6,6-dimethyl-2-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-5-(2-morpholin-4-ylethyl)thieno[2,3-c]pyrrol-4-one, Mitogen-activated protein kinase 1, SULFATE ION | Authors: | O'Reilly, M. | Deposit date: | 2019-05-15 | Release date: | 2019-12-04 | Last modified: | 2020-02-19 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Dual-Mechanism ERK1/2 Inhibitors Exploit a Distinct Binding Mode to Block Phosphorylation and Nuclear Accumulation of ERK1/2. Mol.Cancer Ther., 19, 2020
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5S84
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![BU of 5s84 by Molmil](/molmil-images/mine/5s84) | XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010949a | Descriptor: | 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, ... | Authors: | Williams, E.P, Adamson, R.J, Smil, D, Krojer, T, Burgess-Brown, N, von Delft, F, Bountra, C, Bullock, A.N. | Deposit date: | 2020-12-11 | Release date: | 2021-06-23 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | XChem group deposition To Be Published
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5S8A
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![BU of 5s8a by Molmil](/molmil-images/mine/5s8a) | XChem group deposition -- Crystal Structure of human ACVR1 in complex with NU074484b | Descriptor: | (4S)-imidazolidine-4-carbonitrile, 1,2-ETHANEDIOL, 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine, ... | Authors: | Williams, E.P, Adamson, R.J, Smil, D, Krojer, T, Burgess-Brown, N, von Delft, F, Bountra, C, Bullock, A.N. | Deposit date: | 2020-12-11 | Release date: | 2021-06-23 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | XChem group deposition To Be Published
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5S78
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![BU of 5s78 by Molmil](/molmil-images/mine/5s78) | XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010934a | Descriptor: | 1,2-ETHANEDIOL, 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine, Activin receptor type-1, ... | Authors: | Williams, E.P, Adamson, R.J, Smil, D, Krojer, T, Burgess-Brown, N, von Delft, F, Bountra, C, Bullock, A.N. | Deposit date: | 2020-12-11 | Release date: | 2021-06-23 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | XChem group deposition To Be Published
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5S7C
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![BU of 5s7c by Molmil](/molmil-images/mine/5s7c) | XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM000274c | Descriptor: | 1,2-ETHANEDIOL, 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine, Activin receptor type-1, ... | Authors: | Williams, E.P, Adamson, R.J, Smil, D, Krojer, T, Burgess-Brown, N, von Delft, F, Bountra, C, Bullock, A.N. | Deposit date: | 2020-12-11 | Release date: | 2021-06-23 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.31 Å) | Cite: | XChem group deposition To Be Published
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5S7M
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![BU of 5s7m by Molmil](/molmil-images/mine/5s7m) | XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM000275d | Descriptor: | 1,2-ETHANEDIOL, 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine, Activin receptor type-1, ... | Authors: | Williams, E.P, Adamson, R.J, Smil, D, Krojer, T, Burgess-Brown, N, von Delft, F, Bountra, C, Bullock, A.N. | Deposit date: | 2020-12-11 | Release date: | 2021-06-23 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.32 Å) | Cite: | XChem group deposition To Be Published
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5S7Q
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![BU of 5s7q by Molmil](/molmil-images/mine/5s7q) | XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010944a | Descriptor: | 1,2-ETHANEDIOL, 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine, 5-methyl-1H-tetrazole, ... | Authors: | Williams, E.P, Adamson, R.J, Smil, D, Krojer, T, Burgess-Brown, N, von Delft, F, Bountra, C, Bullock, A.N. | Deposit date: | 2020-12-11 | Release date: | 2021-06-23 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | XChem group deposition To Be Published
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5S7P
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![BU of 5s7p by Molmil](/molmil-images/mine/5s7p) | XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010937a | Descriptor: | 1,2-ETHANEDIOL, 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine, Activin receptor type-1, ... | Authors: | Williams, E.P, Adamson, R.J, Smil, D, Krojer, T, Burgess-Brown, N, von Delft, F, Bountra, C, Bullock, A.N. | Deposit date: | 2020-12-11 | Release date: | 2021-06-23 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.31 Å) | Cite: | XChem group deposition To Be Published
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5S85
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![BU of 5s85 by Molmil](/molmil-images/mine/5s85) | XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM000884c | Descriptor: | (3R)-1,2-oxazolidin-3-amine, 1,2-ETHANEDIOL, 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine, ... | Authors: | Williams, E.P, Adamson, R.J, Smil, D, Krojer, T, Burgess-Brown, N, von Delft, F, Bountra, C, Bullock, A.N. | Deposit date: | 2020-12-11 | Release date: | 2021-06-23 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.33 Å) | Cite: | XChem group deposition To Be Published
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5S7S
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![BU of 5s7s by Molmil](/molmil-images/mine/5s7s) | XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010921a | Descriptor: | 1,2-ETHANEDIOL, 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine, Activin receptor type-1, ... | Authors: | Williams, E.P, Adamson, R.J, Smil, D, Krojer, T, Burgess-Brown, N, von Delft, F, Bountra, C, Bullock, A.N. | Deposit date: | 2020-12-11 | Release date: | 2021-06-23 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | XChem group deposition To Be Published
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5S8B
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![BU of 5s8b by Molmil](/molmil-images/mine/5s8b) | XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010960a | Descriptor: | 1,2-ETHANEDIOL, 1lambda~6~-thietane-1,1-dione, 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine, ... | Authors: | Williams, E.P, Adamson, R.J, Smil, D, Krojer, T, Burgess-Brown, N, von Delft, F, Bountra, C, Bullock, A.N. | Deposit date: | 2020-12-11 | Release date: | 2021-06-23 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | XChem group deposition To Be Published
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5S7G
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![BU of 5s7g by Molmil](/molmil-images/mine/5s7g) | XChem group deposition -- Crystal Structure of human ACVR1 in complex with XS035844b | Descriptor: | 1,2-ETHANEDIOL, 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine, Activin receptor type-1, ... | Authors: | Williams, E.P, Adamson, R.J, Smil, D, Krojer, T, Burgess-Brown, N, von Delft, F, Bountra, C, Bullock, A.N. | Deposit date: | 2020-12-11 | Release date: | 2021-06-23 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | XChem group deposition To Be Published
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5S7X
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![BU of 5s7x by Molmil](/molmil-images/mine/5s7x) | XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM000376d | Descriptor: | 1,2-ETHANEDIOL, 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine, Activin receptor type-1, ... | Authors: | Williams, E.P, Adamson, R.J, Smil, D, Krojer, T, Burgess-Brown, N, von Delft, F, Bountra, C, Bullock, A.N. | Deposit date: | 2020-12-11 | Release date: | 2021-06-23 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | XChem group deposition To Be Published
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5S7Z
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![BU of 5s7z by Molmil](/molmil-images/mine/5s7z) | XChem group deposition -- Crystal Structure of human ACVR1 in complex with NU074488b | Descriptor: | 1,2-ETHANEDIOL, 4-bromo-1H-pyrazole, 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine, ... | Authors: | Williams, E.P, Adamson, R.J, Smil, D, Krojer, T, Burgess-Brown, N, von Delft, F, Bountra, C, Bullock, A.N. | Deposit date: | 2020-12-11 | Release date: | 2021-06-23 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | XChem group deposition To Be Published
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5S7K
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![BU of 5s7k by Molmil](/molmil-images/mine/5s7k) | XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010936a | Descriptor: | (3R)-3-aminobutanamide, 1,2-ETHANEDIOL, 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine, ... | Authors: | Williams, E.P, Adamson, R.J, Smil, D, Krojer, T, Burgess-Brown, N, von Delft, F, Bountra, C, Bullock, A.N. | Deposit date: | 2020-12-11 | Release date: | 2021-06-23 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.31 Å) | Cite: | XChem group deposition To Be Published
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5S76
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![BU of 5s76 by Molmil](/molmil-images/mine/5s76) | XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010916a | Descriptor: | (2S)-azetidine-2-carboxylic acid, 1,2-ETHANEDIOL, 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine, ... | Authors: | Williams, E.P, Adamson, R.J, Smil, D, Krojer, T, Burgess-Brown, N, von Delft, F, Bountra, C, Bullock, A.N. | Deposit date: | 2020-12-11 | Release date: | 2021-06-23 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.31 Å) | Cite: | XChem group deposition To Be Published
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5S89
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![BU of 5s89 by Molmil](/molmil-images/mine/5s89) | XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010957a | Descriptor: | (2R)-2-aminobutanamide, 1,2-ETHANEDIOL, 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine, ... | Authors: | Williams, E.P, Adamson, R.J, Smil, D, Krojer, T, Burgess-Brown, N, von Delft, F, Bountra, C, Bullock, A.N. | Deposit date: | 2020-12-11 | Release date: | 2021-06-23 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | XChem group deposition To Be Published
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5S79
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![BU of 5s79 by Molmil](/molmil-images/mine/5s79) | XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010910a | Descriptor: | 1,2-ETHANEDIOL, 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine, Activin receptor type-1, ... | Authors: | Williams, E.P, Adamson, R.J, Smil, D, Krojer, T, Burgess-Brown, N, von Delft, F, Bountra, C, Bullock, A.N. | Deposit date: | 2020-12-11 | Release date: | 2021-06-23 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | XChem group deposition To Be Published
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5S75
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![BU of 5s75 by Molmil](/molmil-images/mine/5s75) | XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010913a | Descriptor: | 1,2-ETHANEDIOL, 1~{H}-1,2,3-triazole, 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine, ... | Authors: | Williams, E.P, Adamson, R.J, Smil, D, Krojer, T, Burgess-Brown, N, von Delft, F, Bountra, C, Bullock, A.N. | Deposit date: | 2020-12-11 | Release date: | 2021-06-23 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | XChem group deposition To Be Published
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5S7D
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![BU of 5s7d by Molmil](/molmil-images/mine/5s7d) | XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010923a | Descriptor: | 1,2-ETHANEDIOL, 2-cyanoacetamide, 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine, ... | Authors: | Williams, E.P, Adamson, R.J, Smil, D, Krojer, T, Burgess-Brown, N, von Delft, F, Bountra, C, Bullock, A.N. | Deposit date: | 2020-12-11 | Release date: | 2021-06-23 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.31 Å) | Cite: | XChem group deposition To Be Published
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