5S83
 
 | | XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010948a | | 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
|
|
5S7T
 | | XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010926a | | 分子名称: | (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, ... | | 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
|
|
5S9K
 | | XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010955a | | 分子名称: | (3S)-3-aminopyrrolidin-2-one, 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 | 2021-03-25 | | 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
|
|
5S7F
 | | XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010935a | | 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
|
|
5S81
 | | XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010947a | | 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 (1.43 Å) | | 主引用文献 | XChem group deposition
To Be Published
|
|
5S7O
 | | XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM007391c | | 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 (1.43 Å) | | 主引用文献 | XChem group deposition
To Be Published
|
|
5S86
 | | XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010952a | | 分子名称: | 1,2-ETHANEDIOL, 1-aminocyclopropane-1-carboxamide, 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
|
|
5S7R
 | | XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010918a | | 分子名称: | 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, ... | | 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 (1.46 Å) | | 主引用文献 | XChem group deposition
To Be Published
|
|
5S77
 | | XChem group deposition -- Crystal Structure of human ACVR1 in complex with XS035133b | | 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
|
|
5S80
 | | XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010946a | | 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 (1.67 Å) | | 主引用文献 | XChem group deposition
To Be Published
|
|
5S7B
 | | XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM000329d | | 分子名称: | (3R)-thiolane-3-carboxylic acid, 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 (1.32 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
|
|
5S7E
 | | XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010930a | | 分子名称: | (3R)-1,2-oxazolidine-3-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 (1.32 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
|
|
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
|
|
5RVX
 | | PanDDA analysis group deposition -- Crystal Structure of DHTKD1 in complex with Z804566442 | | 分子名称: | 5-ethyl-~{N}-[(1-methylpyrazol-4-yl)methyl]thiophene-2-carboxamide, MAGNESIUM ION, Probable 2-oxoglutarate dehydrogenase E1 component DHKTD1, ... | | 著者 | Bezerra, G.A, Foster, W.R, Bailey, H.J, Shrestha, L, Krojer, T, Brandao-Neto, J, Douangamath, A, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Yue, W.W. | | 登録日 | 2020-10-27 | | 公開日 | 2020-11-25 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.661 Å) | | 主引用文献 | PanDDA analysis group deposition
To Be Published
|
|
5RVW
 | | PanDDA analysis group deposition -- Crystal Structure of DHTKD1 in complex with Z1587220559 | | 分子名称: | 2-{[(1H-benzimidazol-2-yl)amino]methyl}phenol, MAGNESIUM ION, Probable 2-oxoglutarate dehydrogenase E1 component DHKTD1, ... | | 著者 | Bezerra, G.A, Foster, W.R, Bailey, H.J, Shrestha, L, Krojer, T, Brandao-Neto, J, Douangamath, A, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Yue, W.W. | | 登録日 | 2020-10-27 | | 公開日 | 2020-11-25 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.614 Å) | | 主引用文献 | PanDDA analysis group deposition
To Be Published
|
|
5RVY
 | | PanDDA analysis group deposition -- Crystal Structure of DHTKD1 in complex with Z437516460 | | 分子名称: | MAGNESIUM ION, N-[(6-methylpyridin-3-yl)methyl]cyclobutanecarboxamide, Probable 2-oxoglutarate dehydrogenase E1 component DHKTD1, ... | | 著者 | Bezerra, G.A, Foster, W.R, Bailey, H.J, Shrestha, L, Krojer, T, Brandao-Neto, J, Douangamath, A, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Yue, W.W. | | 登録日 | 2020-10-27 | | 公開日 | 2020-11-25 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.609 Å) | | 主引用文献 | PanDDA analysis group deposition
To Be Published
|
|
5RW0
 | | PanDDA analysis group deposition -- Crystal Structure of DHTKD1 in complex with Z2444997446 | | 分子名称: | 1-{(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl}methanamine, MAGNESIUM ION, Probable 2-oxoglutarate dehydrogenase E1 component DHKTD1, ... | | 著者 | Bezerra, G.A, Foster, W.R, Bailey, H.J, Shrestha, L, Krojer, T, Brandao-Neto, J, Douangamath, A, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Yue, W.W. | | 登録日 | 2020-10-27 | | 公開日 | 2020-11-25 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.673 Å) | | 主引用文献 | PanDDA analysis group deposition
To Be Published
|
|
2YPT
 | | Crystal structure of the human nuclear membrane zinc metalloprotease ZMPSTE24 mutant (E336A) in complex with a synthetic CSIM tetrapeptide from the C-terminus of prelamin A | | 分子名称: | CAAX PRENYL PROTEASE 1 HOMOLOG, PRELAMIN-A/C, ZINC ION | | 著者 | Pike, A.C.W, Dong, Y.Y, Quigley, A, Dong, L, Savitsky, P, Cooper, C.D.O, Chaikuad, A, Goubin, S, Shrestha, L, Li, Q, Mukhopadhyay, S, Yang, J, Xia, X, Shintre, C.A, Barr, A.J, Berridge, G, Chalk, R, Bray, J.E, von Delft, F, Bullock, A, Bountra, C, Arrowsmith, C.H, Edwards, A, Burgess-Brown, N, Carpenter, E.P. | | 登録日 | 2012-11-01 | | 公開日 | 2012-12-05 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (3.8 Å) | | 主引用文献 | The Structural Basis of Zmpste24-Dependent Laminopathies.
Science, 339, 2013
|
|
4UF0
 | | Crystal structure of JmjC domain of human histone demethylase UTY in complex with epitherapuetic compound 2-(((2-((2-(dimethylamino)ethyl) (ethyl)amino)-2-oxoethyl)amino)methyl)isonicotinic acid. | | 分子名称: | 1,2-ETHANEDIOL, 2-{[(2-{[(E)-2-(dimethylamino)ethenyl](ethyl)amino}-2-oxoethyl)amino]methyl}pyridine-4-carboxylic acid, FE (II) ION, ... | | 著者 | Srikannathasan, V, Johansson, C, Gileadi, C, Tobias, K, Kopec, J, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U. | | 登録日 | 2014-12-22 | | 公開日 | 2015-01-14 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | | 主引用文献 | Structural Analysis of Human Kdm5B Guides Histone Demethylase Inhibitor Development.
Nat.Chem.Biol., 12, 2016
|
|
4AYX
 | | STRUCTURE OF THE HUMAN MITOCHONDRIAL ABC TRANSPORTER, ABCB10 (ROD FORM B) | | 分子名称: | ATP-BINDING CASSETTE SUB-FAMILY B MEMBER 10, CARDIOLIPIN, DODECYL-BETA-D-MALTOSIDE, ... | | 著者 | Pike, A.C.W, Shintre, C.A, Li, Q, Kim, J, von Delft, F, Barr, A.J, Das, S, Chaikuad, A, Xia, X, Quigley, A, Dong, Y, Dong, L, Krojer, T, Vollmar, M, Muniz, J.R.C, Bray, J.E, Berridge, G, Chalk, R, Gileadi, O, Burgess-Brown, N, Shrestha, L, Goubin, S, Yang, J, Mahajan, P, Mukhopadhyay, S, Bullock, A.N, Arrowsmith, C.H, Weigelt, J, Bountra, C, Edwards, A.M, Carpenter, E.P. | | 登録日 | 2012-06-22 | | 公開日 | 2012-07-11 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Structures of Abcb10, a Human ATP-Binding Cassette Transporter in Apo- and Nucleotide-Bound States
Proc.Natl.Acad.Sci.USA, 110, 2013
|
|
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
|
|
5A3W
 | | Crystal structure of human PLU-1 (JARID1B) in complex with Pyridine-2, 6-dicarboxylic Acid (PDCA) | | 分子名称: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, LYSINE-SPECIFIC DEMETHYLASE 5B, ... | | 著者 | Srikannathasan, V, Johansson, C, Gileadi, C, Kopec, J, Strain-Damerell, C, Kupinska, K, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Oppermann, U. | | 登録日 | 2015-06-03 | | 公開日 | 2015-06-17 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structural Analysis of Human Kdm5B Guides Histone Demethylase Inhibitor Development.
Nat.Chem.Biol., 12, 2016
|
|
5A1F
 | | Crystal structure of the catalytic domain of PLU1 in complex with N-oxalylglycine. | | 分子名称: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, LYSINE-SPECIFIC DEMETHYLASE 5B, ... | | 著者 | Srikannathasan, V, Johansson, C, Strain-Damerell, C, Gileadi, C, Szykowska, A, Kupinska, K, Kopec, J, Krojer, T, Steuber, H, von Delft, F, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Oppermann, U. | | 登録日 | 2015-04-29 | | 公開日 | 2015-05-06 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structural Analysis of Human Kdm5B Guides Histone Demethylase Inhibitor Development.
Nat.Chem.Biol., 12, 2016
|
|
