6Q4H
| CDK2 in complex with FragLite36 | 分子名称: | 2-[3-[(2-azanyl-9~{H}-purin-6-yl)oxy]phenyl]ethanoic acid, Cyclin-dependent kinase 2, DIMETHYL SULFOXIDE | 著者 | Wood, D.J, Martin, M.P, Noble, M.E.M. | 登録日 | 2018-12-05 | 公開日 | 2019-03-20 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1 Å) | 主引用文献 | FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation. J.Med.Chem., 62, 2019
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6Q4A
| CDK2 in complex with FragLite14 | 分子名称: | 5-iodanylpyrimidine, CYCLIN-DEPENDENT KINASE 2 | 著者 | Wood, D.J, Martin, M.P, Noble, M.E.M. | 登録日 | 2018-12-05 | 公開日 | 2019-03-20 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.13 Å) | 主引用文献 | FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation. J.Med.Chem., 62, 2019
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6Q4I
| CDK2 in complex with FragLite35 | 分子名称: | 2-[4-[(2-oxidanylidene-3~{H}-pyridin-4-yl)oxy]phenyl]ethanoic acid, Cyclin-dependent kinase 2, DIMETHYL SULFOXIDE | 著者 | Wood, D.J, Martin, M.P, Noble, M.E.M. | 登録日 | 2018-12-05 | 公開日 | 2019-03-20 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.11 Å) | 主引用文献 | FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation. J.Med.Chem., 62, 2019
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6Q4C
| CDK2 in complex with FragLite16 | 分子名称: | 4-bromanyl-1,8-naphthyridine, Cyclin-dependent kinase 2 | 著者 | Wood, D.J, Martin, M.P, Noble, M.E.M. | 登録日 | 2018-12-05 | 公開日 | 2019-03-20 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | 主引用文献 | FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation. J.Med.Chem., 62, 2019
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6Q4F
| CDK2 in complex with FragLite32 | 分子名称: | Cyclin-dependent kinase 2, PYRIDINE-2,6-DIAMINE | 著者 | Wood, D.J, Martin, M.P, Noble, M.E.M. | 登録日 | 2018-12-05 | 公開日 | 2019-03-20 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.21 Å) | 主引用文献 | FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation. J.Med.Chem., 62, 2019
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6Q3F
| CDK2 in complex with FragLite2 | 分子名称: | 4-bromanylpyridin-2-amine, Cyclin-dependent kinase 2 | 著者 | Wood, D.J, Martin, M.P, Noble, M.E.M. | 登録日 | 2018-12-04 | 公開日 | 2019-03-20 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.18 Å) | 主引用文献 | FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation. J.Med.Chem., 62, 2019
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6Q4E
| CDK2 in complex with FragLite33 | 分子名称: | 6-iodanyl-7~{H}-purin-2-amine, Cyclin-dependent kinase 2, DIMETHYL SULFOXIDE | 著者 | Wood, D.J, Martin, M.P, Noble, M.E.M. | 登録日 | 2018-12-05 | 公開日 | 2019-03-20 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.06 Å) | 主引用文献 | FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation. J.Med.Chem., 62, 2019
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6Q4K
| CDK2 in complex with FragLite38 | 分子名称: | (~{E})-3-[3-[(4-chlorophenyl)carbamoyl]phenyl]prop-2-enoic acid, 1,2-ETHANEDIOL, Cyclin-dependent kinase 2 | 著者 | Wood, D.J, Martin, M.P, Noble, M.E.M. | 登録日 | 2018-12-05 | 公開日 | 2019-03-20 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.06 Å) | 主引用文献 | FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation. J.Med.Chem., 62, 2019
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6Q4D
| CDK2 in complex with FragLite31 | 分子名称: | 2-(4-bromanyl-2-methoxy-phenyl)ethanoic acid, Cyclin-dependent kinase 2 | 著者 | Wood, D.J, Martin, M.P, Noble, M.E.M. | 登録日 | 2018-12-05 | 公開日 | 2019-03-20 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.07 Å) | 主引用文献 | FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation. J.Med.Chem., 62, 2019
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5O7I
| ERK5 in complex with a pyrrole inhibitor | 分子名称: | 4-(2-bromanyl-6-fluoranyl-phenyl)carbonyl-~{N}-pyridin-3-yl-1~{H}-pyrrole-2-carboxamide, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 7 | 著者 | Tucker, J.A, Heptinstall, A, Myers, S. | 登録日 | 2017-06-08 | 公開日 | 2018-06-20 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.38 Å) | 主引用文献 | Identification of a novel orally bioavailable ERK5 inhibitor with selectivity over p38 alpha and BRD4. Eur.J.Med.Chem., 178, 2019
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7Z9I
| ATAD2 in complex with PepLite-Ala | 分子名称: | (2~{S})-2-acetamido-~{N}-(3-bromanylprop-2-ynyl)propanamide, 1,2-ETHANEDIOL, ATPase family AAA domain-containing protein 2, ... | 著者 | Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M. | 登録日 | 2022-03-21 | 公開日 | 2022-11-23 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions. J.Med.Chem., 65, 2022
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7Z9H
| ATAD2 in complex with PepLite-Asp | 分子名称: | (2~{S})-2-acetamido-~{N}-(3-bromanylprop-2-ynyl)butanediamide, 1,2-ETHANEDIOL, ATPase family AAA domain-containing protein 2, ... | 著者 | Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M. | 登録日 | 2022-03-21 | 公開日 | 2022-11-23 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.34 Å) | 主引用文献 | Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions. J.Med.Chem., 65, 2022
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7Z9S
| ATAD2 in complex with PepLite-Arg | 分子名称: | (2~{S})-2-acetamido-5-carbamimidamido-~{N}-prop-2-enyl-pentanamide, 1,2-ETHANEDIOL, ATPase family AAA domain-containing protein 2, ... | 著者 | Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M. | 登録日 | 2022-03-21 | 公開日 | 2022-11-23 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions. J.Med.Chem., 65, 2022
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7Z9U
| ATAD2 in complex with Acetyl-Lys | 分子名称: | (2S)-2,6-diacetamido-N-methyl-hexanamide, 1,2-ETHANEDIOL, ARGININE, ... | 著者 | Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M. | 登録日 | 2022-03-21 | 公開日 | 2022-11-23 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | 主引用文献 | Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions. J.Med.Chem., 65, 2022
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7ZAA
| BRD4 in complex with FragLite11 | 分子名称: | GLYCEROL, Isoform C of Bromodomain-containing protein 4, ~{N}-(4-bromophenyl)ethanamide | 著者 | Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M. | 登録日 | 2022-03-22 | 公開日 | 2022-11-23 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.15 Å) | 主引用文献 | Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions. J.Med.Chem., 65, 2022
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7ZAJ
| BRD4 in complex with FragLite16 | 分子名称: | 4-bromanyl-1,8-naphthyridine, GLYCEROL, Isoform C of Bromodomain-containing protein 4 | 著者 | Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M. | 登録日 | 2022-03-22 | 公開日 | 2022-11-23 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1 Å) | 主引用文献 | Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions. J.Med.Chem., 65, 2022
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7ZAT
| BRD4 in complex with FragLite20 | 分子名称: | 4-bromanyl-2-(methoxymethyl)pyridine, GLYCEROL, Isoform C of Bromodomain-containing protein 4 | 著者 | Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M. | 登録日 | 2022-03-22 | 公開日 | 2022-11-23 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.15 Å) | 主引用文献 | Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions. J.Med.Chem., 65, 2022
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7ZAE
| BRD4 in complex with FragLite15 | 分子名称: | 4-bromanyl-2-methoxy-pyridine, GLYCEROL, Isoform C of Bromodomain-containing protein 4 | 著者 | Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M. | 登録日 | 2022-03-22 | 公開日 | 2022-11-23 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | 主引用文献 | Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions. J.Med.Chem., 65, 2022
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7ZAR
| BRD4 in complex with FragLite18 | 分子名称: | (4-bromanylpyridin-2-yl)methanol, GLYCEROL, Isoform C of Bromodomain-containing protein 4 | 著者 | Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M. | 登録日 | 2022-03-22 | 公開日 | 2022-11-23 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.14 Å) | 主引用文献 | Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions. J.Med.Chem., 65, 2022
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7ZEN
| BRD4 in complex with FragLite23 | 分子名称: | 2-(4-bromo-1H-pyrazol-1-yl)ethan-1-ol, GLYCEROL, Isoform C of Bromodomain-containing protein 4 | 著者 | Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M. | 登録日 | 2022-03-31 | 公開日 | 2022-11-23 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.14 Å) | 主引用文献 | Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions. J.Med.Chem., 65, 2022
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7Z9N
| ATAD2 in complex with PepLite-Val | 分子名称: | (2~{S})-2-acetamido-~{N}-(3-bromanylpropyl)-3-methyl-butanamide, 1,2-ETHANEDIOL, ATPase family AAA domain-containing protein 2, ... | 著者 | Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M. | 登録日 | 2022-03-21 | 公開日 | 2022-11-23 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.34 Å) | 主引用文献 | Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions. J.Med.Chem., 65, 2022
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7ZA6
| BRD4 in complex with FragLite4 | 分子名称: | 4-bromanylpyridin-2-amine, GLYCEROL, Isoform C of Bromodomain-containing protein 4 | 著者 | Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M. | 登録日 | 2022-03-22 | 公開日 | 2022-11-23 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.12 Å) | 主引用文献 | Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions. J.Med.Chem., 65, 2022
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7ZAD
| BRD4 in complex with FragLite12 | 分子名称: | 4-iodanylbenzamide, GLYCEROL, Isoform C of Bromodomain-containing protein 4 | 著者 | Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M. | 登録日 | 2022-03-22 | 公開日 | 2022-11-23 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.07 Å) | 主引用文献 | Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions. J.Med.Chem., 65, 2022
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7Z9O
| ATAD2 in complex with PepLite-Tyr | 分子名称: | (2~{S})-2-acetamido-3-(4-hydroxyphenyl)-~{N}-prop-2-enyl-propanamide, 1,2-ETHANEDIOL, ATPase family AAA domain-containing protein 2, ... | 著者 | Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M. | 登録日 | 2022-03-21 | 公開日 | 2022-11-23 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | 主引用文献 | Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions. J.Med.Chem., 65, 2022
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7ZA7
| BRD4 in complex with FragLite5 | 分子名称: | 4-iodanylpyridin-2-amine, GLYCEROL, Isoform C of Bromodomain-containing protein 4 | 著者 | Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M. | 登録日 | 2022-03-22 | 公開日 | 2022-11-23 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.06 Å) | 主引用文献 | Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions. J.Med.Chem., 65, 2022
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