5FPL
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![BU of 5fpl by Molmil](/molmil-images/mine/5fpl) | Crystal structure of human JARID1B in complex with CCT363901 | 分子名称: | 1,2-ETHANEDIOL, 8-[4-(2-azanylethyl)pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one, DIMETHYL SULFOXIDE, ... | 著者 | Srikannathasan, V, Yann-Vai, L.B, Nowak, R, Johansson, C, Gileadi, C, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Brennan, P, Huber, K, Oppermann, U. | 登録日 | 2015-12-02 | 公開日 | 2016-01-20 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | 8-Substituted Pyrido[3,4-D]Pyrimidin-4(3H)-One Derivatives as Potent, Cell Permeable, Kdm4 (Jmjd2) and Kdm5 (Jarid1) Histone Lysine Demethylase Inhibitors. J.Med.Chem., 59, 2016
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5FZ7
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![BU of 5fz7 by Molmil](/molmil-images/mine/5fz7) | Crystal structure of the catalytic domain of human JARID1B in complex with Maybridge fragment ethyl 2-amino-4-thiophen-2-ylthiophene-3- carboxylate (N06131b) (ligand modelled based on PANDDA event map, SGC - Diamond I04-1 fragment screening) | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | 著者 | Nowak, R, Krojer, T, Johansson, C, Kupinska, K, Szykowska, A, Pearce, N, Talon, R, Collins, P, Gileadi, C, Strain-Damerell, C, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, von Delft, F, Brennan, P.E, Oppermann, U. | 登録日 | 2016-03-11 | 公開日 | 2016-03-23 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with Maybridge Fragment Ethyl 2-Amino-4-Thiophen-2-Ylthiophene-3-Carboxylate (N06131B) (Ligand Modelled Based on Pandda Event Map, Sgc - Diamond I04-1 Fragment Screening) To be Published
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5HDN
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5HLS
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![BU of 5hls by Molmil](/molmil-images/mine/5hls) | Crystal structure of the first bromodomain of human BRD4 bound to CPI-0610 | 分子名称: | Bromodomain-containing protein 4, CPI-0610 | 著者 | Jayaram, H, Poy, F, Setser, J.W, Bellon, S.F. | 登録日 | 2016-01-15 | 公開日 | 2016-02-10 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.182 Å) | 主引用文献 | Identification of a Benzoisoxazoloazepine Inhibitor (CPI-0610) of the Bromodomain and Extra-Terminal (BET) Family as a Candidate for Human Clinical Trials. J.Med.Chem., 59, 2016
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5HQ5
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5HQ6
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5HS3
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![BU of 5hs3 by Molmil](/molmil-images/mine/5hs3) | Human thymidylate synthase complexed with dUMP and 3-amino-2-benzoyl-4-methylthieno[2,3-b]pyridin-6-ol | 分子名称: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 3-amino-2-benzoyl-4-methylthieno[2,3-b]pyridin-6-ol, Thymidylate synthase | 著者 | Chen, D, Almqvist, H, Axelsson, H, Jafari, R, Mateus, A, Haraldsson, M, Larsson, A, Artursson, P, Molina, D.M, Lundback, T, Nordlund, P. | 登録日 | 2016-01-25 | 公開日 | 2016-02-24 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (3.103 Å) | 主引用文献 | CETSA screening identifies known and novel thymidylate synthase inhibitors and slow intracellular activation of 5-fluorouracil Nat Commun, 7, 2016
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5ORV
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![BU of 5orv by Molmil](/molmil-images/mine/5orv) | 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 (1.88 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
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5OS3
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![BU of 5os3 by Molmil](/molmil-images/mine/5os3) | Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment | 分子名称: | (1~{R})-1-(4-ethoxyphenyl)ethanamine, 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 (1.81 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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5OS4
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![BU of 5os4 by Molmil](/molmil-images/mine/5os4) | Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment | 分子名称: | (3~{a}~{R},5~{S},7~{a}~{S})-5-phenyl-3~{a},4,5,6,7,7~{a}-hexahydroisoindole-1,3-dione, 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
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5ORY
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![BU of 5ory by Molmil](/molmil-images/mine/5ory) | Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment | 分子名称: | 2,4-bis(fluoranyl)-6-(1~{H}-pyrazol-3-yl)phenol, 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 (1.99 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
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5OSF
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![BU of 5osf by Molmil](/molmil-images/mine/5osf) | Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment | 分子名称: | 2-(4-ethylphenoxy)-1-piperidin-1-yl-ethanone, 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 (1.89 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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5ORS
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![BU of 5ors by Molmil](/molmil-images/mine/5ors) | 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 | 2017-11-29 | 実験手法 | X-RAY DIFFRACTION (1.98 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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5ORW
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![BU of 5orw by Molmil](/molmil-images/mine/5orw) | Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment | 分子名称: | 3-(4-fluoranylphenoxy)-1-thiomorpholin-4-yl-propan-1-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 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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5OS5
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![BU of 5os5 by Molmil](/molmil-images/mine/5os5) | Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment | 分子名称: | 4-(4-hydroxyphenyl)sulfanylphenol, 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
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5OV3
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![BU of 5ov3 by Molmil](/molmil-images/mine/5ov3) | Structure of the RbBP5 beta-propeller domain | 分子名称: | Retinoblastoma-binding protein 5, TETRAETHYLENE GLYCOL, TRIETHYLENE GLYCOL | 著者 | Mittal, A, Zhang, Y, Gamblin, S.J, Wilson, J.R. | 登録日 | 2017-08-27 | 公開日 | 2018-03-28 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | The structure of the RbBP5 beta-propeller domain reveals a surface with potential nucleic acid binding sites. Nucleic Acids Res., 46, 2018
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5OWM
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5PTW
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![BU of 5ptw by Molmil](/molmil-images/mine/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
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5PUC
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![BU of 5puc by Molmil](/molmil-images/mine/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
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5POC
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![BU of 5poc by Molmil](/molmil-images/mine/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
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5POP
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![BU of 5pop by Molmil](/molmil-images/mine/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
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5PP0
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![BU of 5pp0 by Molmil](/molmil-images/mine/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
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5PQB
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![BU of 5pqb by Molmil](/molmil-images/mine/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
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5PQV
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![BU of 5pqv by Molmil](/molmil-images/mine/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
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5PRD
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![BU of 5prd by Molmil](/molmil-images/mine/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
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