PDB: 5425 件ウェブページステータス検索Chemie searchBIRD

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5OWM	Crystal structure of human BRD4(1) bromodomain in complex with UT48 分子名称: Bromodomain-containing protein 4, [3-[(3-methylbenzotriazol-5-yl)methyl]phenyl]methanol 著者 Zhu, J, Caflisch, A. 登録日 2017-09-01 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
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
5PTW	PanDDA analysis group deposition -- Crystal Structure of BRD1 after initial refinement with no ligand modelled (structure 174) 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
5PUC	PanDDA analysis group deposition -- Crystal Structure of BRD1 after initial refinement with no ligand modelled (structure 190) 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 (1.64 Å) 主引用文献 A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density. Nat Commun, 8, 2017
5POC	PanDDA analysis group deposition -- Crystal Structure of BRD1 in complex with N11081a 分子名称: 1,2-ETHANEDIOL, 7-bromo-1-methyl-6-nitroquinolin-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 (1.478 Å) 主引用文献 A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density. Nat Commun, 8, 2017
5POP	PanDDA analysis group deposition -- Crystal Structure of BRD1 in complex with N10987a 分子名称: 1,2-ETHANEDIOL, 1-[4-(pyridin-4-yl)piperazin-1-yl]ethan-1-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 (1.579 Å) 主引用文献 A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density. Nat Commun, 8, 2017
5PP0	PanDDA analysis group deposition -- Crystal Structure of BRD1 in complex with N11009a 分子名称: 1,2-ETHANEDIOL, 2-amino-N-methylpyridine-3-carboxamide, 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 (1.61 Å) 主引用文献 A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density. Nat Commun, 8, 2017
5PQB	PanDDA analysis group deposition -- Crystal Structure of BRD1 after initial refinement with no ligand modelled (structure 48) 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
5PQV	PanDDA analysis group deposition -- Crystal Structure of BRD1 after initial refinement with no ligand modelled (structure 68) 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 (1.97 Å) 主引用文献 A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density. Nat Commun, 8, 2017
5PRD	PanDDA analysis group deposition -- Crystal Structure of BRD1 after initial refinement with no ligand modelled (structure 85) 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 (1.9 Å) 主引用文献 A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density. Nat Commun, 8, 2017
5PRR	PanDDA analysis group deposition -- Crystal Structure of BRD1 after initial refinement with no ligand modelled (structure 98) 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 (1.63 Å) 主引用文献 A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density. Nat Commun, 8, 2017
5PS7	PanDDA analysis group deposition -- Crystal Structure of BRD1 after initial refinement with no ligand modelled (structure 115) 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 (2.21 Å) 主引用文献 A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density. Nat Commun, 8, 2017
5PSP	PanDDA analysis group deposition -- Crystal Structure of BRD1 after initial refinement with no ligand modelled (structure 133) 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
5NNE	Crystal Structure of the first bromodomain of human BRD4 in complex with a diacetylated TOP2A peptide (K1201ac/K1204ac) 分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, GKA(ALY)GK(ALY)TQMY 著者 Filippakopoulos, P, Picaud, S, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C. 登録日 2017-04-08 公開日 2018-05-16 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.15 Å) 主引用文献 Interactome Rewiring Following Pharmacological Targeting of BET Bromodomains. Mol. Cell, 73, 2019
5NOT	Structure of cyclophilin A in complex with 4-chloropyrimidin-5-amine 分子名称: 4-chloranylpyrimidin-5-amine, Peptidyl-prolyl cis-trans isomerase A 著者 Georgiou, C, Mcnae, I.W, Ioannidis, H, Julien, M, Walkinshaw, M.D. 登録日 2017-04-13 公開日 2017-07-12 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.45 Å) 主引用文献 Pushing the Limits of Detection of Weak Binding Using Fragment-Based Drug Discovery: Identification of New Cyclophilin Binders. J. Mol. Biol., 429, 2017
5NOX	Structure of cyclophilin A in complex with 2-chloropyridin-3-amine 分子名称: 2-chloranylpyridin-3-amine, Peptidyl-prolyl cis-trans isomerase A 著者 Georgiou, C, Mcnae, I.W, Ioannidis, H, Julien, M, Walkinshaw, M.D. 登録日 2017-04-13 公開日 2017-07-12 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.49 Å) 主引用文献 Pushing the Limits of Detection of Weak Binding Using Fragment-Based Drug Discovery: Identification of New Cyclophilin Binders. J. Mol. Biol., 429, 2017
5NQQ	Rabbit Muscle L-lactate dehydrogenase in complex with NADH and oxaloacetate 分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, L-lactate dehydrogenase A chain, OXALOACETATE ION, ... 著者 Luisi, B.F, Olin-Sandoval, V. 登録日 2017-04-20 公開日 2017-06-07 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.872 Å) 主引用文献 The self-inhibitory nature of metabolic networks and its alleviation through compartmentalization. Nat Commun, 8, 2017
5ODT	Aurora-A in complex with TACC3 分子名称: ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, GLYCEROL, ... 著者 Burgess, S.G, Bayliss, R. 登録日 2017-07-06 公開日 2018-03-14 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.021 Å) 主引用文献 Mitotic spindle association of TACC3 requires Aurora-A-dependent stabilization of a cryptic alpha-helix. EMBO J., 37, 2018
5OS0	Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment 分子名称: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]ethanenitrile, 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 (1.74 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
5ORN	Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment 分子名称: 3-thiophen-2-yl-4,5-dihydro-1~{H}-pyridazin-6-one, 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
5ORT	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, 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 (2.56 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
5OS2	Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment 分子名称: ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, MAGNESIUM ION, ... 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 2024-05-08 実験手法 X-RAY DIFFRACTION (1.92 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
5ORZ	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, 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 (1.92 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

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