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5S7F
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BU of 5s7f by Molmil
XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010935a
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
5S7Q
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BU of 5s7q by Molmil
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
5S85
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BU of 5s85 by Molmil
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
5S7O
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BU of 5s7o by Molmil
XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM007391c
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 (1.43 Å)
Cite:XChem group deposition
To Be Published
5S8B
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BU of 5s8b by Molmil
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
5S7R
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BU of 5s7r by Molmil
XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010918a
Descriptor: 1,2-ETHANEDIOL, 1lambda~6~,2-thiazetidine-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 (1.46 Å)
Cite:XChem group deposition
To Be Published
5S7G
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BU of 5s7g by Molmil
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
5S80
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BU of 5s80 by Molmil
XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010946a
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 (1.67 Å)
Cite:XChem group deposition
To Be Published
5S7Z
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BU of 5s7z by Molmil
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
5S7J
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BU of 5s7j by Molmil
XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM000893d
Descriptor: 1,2-ETHANEDIOL, 1-[(2R)-oxolan-2-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 (1.31 Å)
Cite:XChem group deposition
To Be Published
5S7U
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BU of 5s7u by Molmil
XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010938a
Descriptor: (4S)-1-methylimidazolidin-4-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 (1.59 Å)
Cite:XChem group deposition
To Be Published
5S82
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BU of 5s82 by Molmil
XChem group deposition -- Crystal Structure of human ACVR1 in complex with XS035128c
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:2023-11-15
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:XChem group deposition
To Be Published
5S75
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BU of 5s75 by Molmil
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
5S7A
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BU of 5s7a by Molmil
XChem group deposition -- Crystal Structure of human ACVR1 in complex with PK012456b
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
5S7H
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BU of 5s7h by Molmil
XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010914a
Descriptor: 1,2-ETHANEDIOL, 1-azanylpropylideneazanium, 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
5S87
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BU of 5s87 by Molmil
XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010953a
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
5S7V
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BU of 5s7v by Molmil
XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010942a
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
5S7T
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BU of 5s7t by Molmil
XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010926a
Descriptor: (3S)-1,2,4-triazolidin-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 (1.3 Å)
Cite:XChem group deposition
To Be Published
5S81
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BU of 5s81 by Molmil
XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010947a
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 (1.43 Å)
Cite:XChem group deposition
To Be Published
5S86
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BU of 5s86 by Molmil
XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010952a
Descriptor: 1,2-ETHANEDIOL, 1-aminocyclopropane-1-carboxamide, 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
5S77
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BU of 5s77 by Molmil
XChem group deposition -- Crystal Structure of human ACVR1 in complex with XS035133b
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
5S7B
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BU of 5s7b by Molmil
XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM000329d
Descriptor: (3R)-thiolane-3-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:2024-03-06
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:XChem group deposition
To Be Published
5S7E
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BU of 5s7e by Molmil
XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010930a
Descriptor: (3R)-1,2-oxazolidine-3-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 (1.32 Å)
Cite:XChem group deposition
To Be Published
7DV6
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BU of 7dv6 by Molmil
Discovery of Functionally Selective Transforming Growth Factor beta Type II Receptor (TGF-beta RII) Inhibitors as Anti-Fibrosis Agents
Descriptor: 5-[(3S)-5,5-dimethyloxolan-3-yl]-6-methoxy-3-(2-methoxypyridin-4-yl)pyrazolo[1,5-a]pyrimidine, TGF-beta receptor type-2
Authors:Nishihata, J, Nomura, A, Miwa, S, Doi, S, Adachi, T.
Deposit date:2021-01-12
Release date:2021-06-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Discovery of Selective Transforming Growth Factor beta Type II Receptor Inhibitors as Antifibrosis Agents.
Acs Med.Chem.Lett., 12, 2021
7CC2
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BU of 7cc2 by Molmil
Strategic design of catalytic lysine-targeting reversible covalent BCR-ABL Inhibitors
Descriptor: Tyrosine-protein kinase ABL1, [4-[5-[5-(dimethylcarbamoyl)pyridin-3-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-methyl-phenyl]boronic acid
Authors:Anantharajan, J, Baburajendran, N.
Deposit date:2020-06-16
Release date:2021-06-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.723 Å)
Cite:Strategic Design of Catalytic Lysine-Targeting Reversible Covalent BCR-ABL Inhibitors*.
Angew.Chem.Int.Ed.Engl., 60, 2021

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