PDB: 5434 件ウェブページステータス検索Chemie searchBIRD

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5PNZ	PanDDA analysis group deposition -- Crystal Structure of BRD1 in complex with N10162a 分子名称: 1,2-ETHANEDIOL, 1-[(4-methoxyphenyl)methyl]-1H-tetrazole, Bromodomain-containing protein 1, ... 著者 Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. 登録日 2017-02-07 公開日 2017-03-15 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.557 Å) 主引用文献 A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density. Nat Commun, 8, 2017
5POD	PanDDA analysis group deposition -- Crystal Structure of BRD1 in complex with N07807b 分子名称: 1,2-ETHANEDIOL, 6-amino-1-methylquinolin-2(1H)-one, Bromodomain-containing protein 1, ... 著者 Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. 登録日 2017-02-07 公開日 2017-03-15 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.56 Å) 主引用文献 A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density. Nat Commun, 8, 2017
5POO	PanDDA analysis group deposition -- Crystal Structure of BRD1 in complex with N10966a 分子名称: 1,2-ETHANEDIOL, 6-(4-acetylpiperazin-1-yl)pyridine-3-carbonitrile, Bromodomain-containing protein 1, ... 著者 Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. 登録日 2017-02-07 公開日 2017-03-15 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.499 Å) 主引用文献 A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density. Nat Commun, 8, 2017
5POW	PanDDA analysis group deposition -- Crystal Structure of BRD1 in complex with N10894b 分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 1, N-[(pyridin-2-yl)methyl]acetamide, ... 著者 Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. 登録日 2017-02-07 公開日 2017-03-15 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.768 Å) 主引用文献 A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density. Nat Commun, 8, 2017
5PP7	PanDDA analysis group deposition -- Crystal Structure of BRD1 after initial refinement with no ligand modelled (structure 7) 分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 1, SODIUM ION 著者 Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. 登録日 2017-02-07 公開日 2017-03-29 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.52 Å) 主引用文献 A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density. Nat Commun, 8, 2017
5PQE	PanDDA analysis group deposition -- Crystal Structure of BRD1 after initial refinement with no ligand modelled (structure 51) 分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 1, SODIUM ION 著者 Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. 登録日 2017-02-07 公開日 2017-03-29 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.53 Å) 主引用文献 A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density. Nat Commun, 8, 2017
5PQW	PanDDA analysis group deposition -- Crystal Structure of BRD1 after initial refinement with no ligand modelled (structure 69) 分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 1, SODIUM ION 著者 Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. 登録日 2017-02-07 公開日 2017-03-29 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density. Nat Commun, 8, 2017
5PRF	PanDDA analysis group deposition -- Crystal Structure of BRD1 after initial refinement with no ligand modelled (structure 87) 分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 1, SODIUM ION 著者 Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. 登録日 2017-02-07 公開日 2017-03-29 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.82 Å) 主引用文献 A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density. Nat Commun, 8, 2017
5PRU	PanDDA analysis group deposition -- Crystal Structure of BRD1 after initial refinement with no ligand modelled (structure 101) 分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 1, SODIUM ION 著者 Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. 登録日 2017-02-07 公開日 2017-03-29 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.58 Å) 主引用文献 A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density. Nat Commun, 8, 2017
5PS5	PanDDA analysis group deposition -- Crystal Structure of BRD1 after initial refinement with no ligand modelled (structure 113) 分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 1, SODIUM ION 著者 Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. 登録日 2017-02-07 公開日 2017-03-29 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (2.15 Å) 主引用文献 A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density. Nat Commun, 8, 2017
5PSI	PanDDA analysis group deposition -- Crystal Structure of BRD1 after initial refinement with no ligand modelled (structure 126) 分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 1, SODIUM ION 著者 Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. 登録日 2017-02-07 公開日 2017-03-29 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.62 Å) 主引用文献 A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density. Nat Commun, 8, 2017
5PT0	PanDDA analysis group deposition -- Crystal Structure of BRD1 after initial refinement with no ligand modelled (structure 144) 分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 1, SODIUM ION 著者 Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. 登録日 2017-02-07 公開日 2017-03-29 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.43 Å) 主引用文献 A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density. Nat Commun, 8, 2017
5PTG	PanDDA analysis group deposition -- Crystal Structure of BRD1 after initial refinement with no ligand modelled (structure 159) 分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 1, SODIUM ION 著者 Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. 登録日 2017-02-07 公開日 2017-03-29 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.46 Å) 主引用文献 A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density. Nat Commun, 8, 2017
5PTZ	PanDDA analysis group deposition -- Crystal Structure of BRD1 after initial refinement with no ligand modelled (structure 177) 分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 1, SODIUM ION 著者 Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. 登録日 2017-02-07 公開日 2017-03-29 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.51 Å) 主引用文献 A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density. Nat Commun, 8, 2017
5OS1	Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment 分子名称: 6-ethoxy-2-methyl-1,3-benzothiazole, ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, ... 著者 McIntyre, P.J, Collins, P.M, von Delft, F, Bayliss, R. 登録日 2017-08-16 公開日 2017-11-01 最終更新日 2017-11-29 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Characterization of Three Druggable Hot-Spots in the Aurora-A/TPX2 Interaction Using Biochemical, Biophysical, and Fragment-Based Approaches. ACS Chem. Biol., 12, 2017
5OVB	Crystal structure of human BRD4(1) bromodomain in complex with DR46 分子名称: Bromodomain-containing protein 4, ~{N}-[3-(5-ethanoyl-2-ethoxy-phenyl)-5-(1-methylpyrazol-3-yl)phenyl]furan-2-carboxamide 著者 Zhu, J, Caflisch, A. 登録日 2017-08-28 公開日 2018-10-10 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Chemical Space Expansion of Bromodomain Ligands Guided by in Silico Virtual Couplings (AutoCouple). Acs Cent.Sci., 4, 2018
5ONE	Crystal structure of Aurora-A in complex with FMF-03-145-1 (compound 2) 分子名称: 4-(propanoylamino)-~{N}-[4-[(5,8,11-trimethyl-6-oxidanylidene-pyrimido[4,5-b][1,4]benzodiazepin-2-yl)amino]phenyl]benzamide, Aurora kinase A 著者 Chaikuad, A, Ferguson, F.M, Gray, N.S, Knapp, S. 登録日 2017-08-03 公開日 2017-09-06 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Characterization of a highly selective inhibitor of the Aurora kinases. Bioorg. Med. Chem. Lett., 27, 2017
5ORL	Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment 分子名称: ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, CHLORIDE ION, ... 著者 McIntyre, P.J, Collins, P.M, Vrzal, L, Birchall, K, Arnold, L.H, Mpamhanga, C, Coombs, P.J, Burgess, S.G, Richards, M.W, Winter, A, Veverka, V, von Delft, F, Merritt, A, Bayliss, R. 登録日 2017-08-16 公開日 2017-11-01 最終更新日 2017-11-29 実験手法 X-RAY DIFFRACTION (1.69 Å) 主引用文献 Characterization of Three Druggable Hot-Spots in the Aurora-A/TPX2 Interaction Using Biochemical, Biophysical, and Fragment-Based Approaches. ACS Chem. Biol., 12, 2017
5OWW	Crystal structure of human BRD4(1) bromodomain in complex with UT22B 分子名称: Bromodomain-containing protein 4, ~{N}-(3-methylbenzotriazol-5-yl)-1-(phenylmethyl)imidazole-2-carboxamide 著者 Zhu, J, Caflisch, A. 登録日 2017-09-04 公開日 2018-10-10 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Chemical Space Expansion of Bromodomain Ligands Guided by in Silico Virtual Couplings (AutoCouple). Acs Cent.Sci., 4, 2018
5ORP	Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment 分子名称: 1-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane, ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, ... 著者 McIntyre, P.J, Collins, P.M, von Delft, F, Bayliss, R. 登録日 2017-08-16 公開日 2017-11-01 最終更新日 2017-11-29 実験手法 X-RAY DIFFRACTION (2.19 Å) 主引用文献 Characterization of Three Druggable Hot-Spots in the Aurora-A/TPX2 Interaction Using Biochemical, Biophysical, and Fragment-Based Approaches. ACS Chem. Biol., 12, 2017
5ORX	Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment 分子名称: 6-[2,6-bis(chloranyl)phenoxy]pyridin-3-amine, ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, ... 著者 McIntyre, P.J, Collins, P.M, von Delft, F, Bayliss, R. 登録日 2017-08-16 公開日 2017-11-01 最終更新日 2017-11-29 実験手法 X-RAY DIFFRACTION (1.88 Å) 主引用文献 Characterization of Three Druggable Hot-Spots in the Aurora-A/TPX2 Interaction Using Biochemical, Biophysical, and Fragment-Based Approaches. ACS Chem. Biol., 12, 2017
5OS6	Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment 分子名称: (6-phenoxypyridin-3-yl)methanol, ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, ... 著者 McIntyre, P.J, Collins, P.M, von Delft, F, Bayliss, R. 登録日 2017-08-16 公開日 2017-11-01 最終更新日 2017-11-29 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Characterization of Three Druggable Hot-Spots in the Aurora-A/TPX2 Interaction Using Biochemical, Biophysical, and Fragment-Based Approaches. ACS Chem. Biol., 12, 2017
5OSD	Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment 分子名称: 5-(4-chlorophenyl)furan-2-carbohydrazide, ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, ... 著者 McIntyre, P.J, Collins, P.M, von Delft, F, Bayliss, R. 登録日 2017-08-17 公開日 2017-11-01 最終更新日 2017-11-29 実験手法 X-RAY DIFFRACTION (1.99 Å) 主引用文献 Characterization of Three Druggable Hot-Spots in the Aurora-A/TPX2 Interaction Using Biochemical, Biophysical, and Fragment-Based Approaches. ACS Chem. Biol., 12, 2017
5PQ2	PanDDA analysis group deposition -- Crystal Structure of BRD1 after initial refinement with no ligand modelled (structure 39) 分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 1, SODIUM ION 著者 Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. 登録日 2017-02-07 公開日 2017-03-29 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.47 Å) 主引用文献 A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density. Nat Commun, 8, 2017
5PQF	PanDDA analysis group deposition -- Crystal Structure of BRD1 after initial refinement with no ligand modelled (structure 52) 分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 1, SODIUM ION 著者 Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. 登録日 2017-02-07 公開日 2017-03-29 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density. Nat Commun, 8, 2017

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