7Z5W
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![BU of 7z5w by Molmil](/molmil-images/mine/7z5w) | ROS1 with AstraZeneca ligand 1 | 分子名称: | Proto-oncogene tyrosine-protein kinase ROS, SULFATE ION, ~{N}-[6-methyl-2-[(2~{S})-2-[3-(3-methylpyrazin-2-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine | 著者 | Hargreaves, D. | 登録日 | 2022-03-10 | 公開日 | 2022-08-17 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.254 Å) | 主引用文献 | Virtual Screening in the Cloud Identifies Potent and Selective ROS1 Kinase Inhibitors. J.Chem.Inf.Model., 62, 2022
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7ZAA
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![BU of 7zaa by Molmil](/molmil-images/mine/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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7YWV
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![BU of 7ywv by Molmil](/molmil-images/mine/7ywv) | Eugenol oxidase from rhodococcus jostii: mutant S81H, D151E, A423M, H434Y, S394V, Q425S, I445D, S518P | 分子名称: | 2-methoxy-4-(prop-2-en-1-yl)phenol, CALCIUM ION, FLAVIN-ADENINE DINUCLEOTIDE, ... | 著者 | Alvigini, L, Mattevi, A. | 登録日 | 2022-02-14 | 公開日 | 2022-11-16 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Structure- and computational-aided engineering of an oxidase to produce isoeugenol from a lignin-derived compound. Nat Commun, 13, 2022
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7RX1
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7ZAJ
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![BU of 7zaj by Molmil](/molmil-images/mine/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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7YZF
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![BU of 7yzf by Molmil](/molmil-images/mine/7yzf) | |
7ZAT
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![BU of 7zat by Molmil](/molmil-images/mine/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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7S0H
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7S7Y
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![BU of 7s7y by Molmil](/molmil-images/mine/7s7y) | Crystal structure of iCytSnFR Cytisine Sensor precursor binding protein | 分子名称: | IMIDAZOLE, iNicSnFR 4.0 Fluorescent Nicotine Sensor precursor binding protein | 著者 | Fan, C, Nichols, N.L, Luebbert, L, Looger, L.L, Lester, H.A, Rees, D.C. | 登録日 | 2021-09-17 | 公開日 | 2021-10-13 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | Structure, Function, and Application of Bacterial ABC Transporters Ph.D.Thesis,California Institute of Technology, 2020
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7ZFX
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![BU of 7zfx by Molmil](/molmil-images/mine/7zfx) | VDR complex with Aromatic-D-Ring Analog | 分子名称: | (1R,3S,5Z)-5-[(E)-3-[3,5-bis(6-methyl-6-oxidanyl-heptyl)phenyl]prop-2-enylidene]-4-methylidene-cyclohexane-1,3-diol, ACETATE ION, Nuclear receptor coactivator 1, ... | 著者 | Rochel, N. | 登録日 | 2022-04-01 | 公開日 | 2022-11-23 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Design, Synthesis, Biological Activity, and Structural Analysis of Novel Des-C-Ring and Aromatic-D-Ring Analogues of 1 alpha ,25-Dihydroxyvitamin D 3. J.Med.Chem., 65, 2022
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7S0A
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7S7T
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![BU of 7s7t by Molmil](/molmil-images/mine/7s7t) | iNicSnFR3a Nicotine Sensor comprising Periplasmic Binding sequence plus Fluorescent Sequence with varenicline bound | 分子名称: | IODIDE ION, VARENICLINE, iNicSnFR 3.0 Fluorescent Nicotine Sensor | 著者 | Fan, C, Shivange, A.V, Looger, L.L, Lester, H.A, Rees, D.C. | 登録日 | 2021-09-17 | 公開日 | 2021-10-13 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | Correction: Fluorescence activation mechanism and imaging of drug permeation with new sensors for smoking-cessation ligands. Elife, 11, 2022
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7Z9N
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![BU of 7z9n by Molmil](/molmil-images/mine/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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7S7Z
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![BU of 7s7z by Molmil](/molmil-images/mine/7s7z) | Crystal structure of iAChSnFR Acetylcholine Sensor precursor binding protein with choline bound | 分子名称: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CHOLINE ION, iAchSnFR Fluorescent Acetylcholine Sensor precursor binding protein | 著者 | Fan, C, Borden, P.M, Looger, L.L, Lester, H.A, Rees, D.C. | 登録日 | 2021-09-17 | 公開日 | 2021-10-13 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Structure, Function, and Application of Bacterial ABC Transporters Ph.D.Thesis,California Institute of Technology, 2020
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7ZA6
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![BU of 7za6 by Molmil](/molmil-images/mine/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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7Z55
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![BU of 7z55 by Molmil](/molmil-images/mine/7z55) | Crystal Structure of the Ring Nuclease 0455 from Sulfolobus islandicus (Sis0455) in complex with its substrate | 分子名称: | ACETATE ION, CRISPR-associated protein, Cyclic RNA cA4, ... | 著者 | Molina, R, Martin-Garcia, R, Lopez-Mendez, B, Jensen, A.L.G, Marchena-Hurtado, J, Stella, S, Montoya, G. | 登録日 | 2022-03-08 | 公開日 | 2022-11-23 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.664 Å) | 主引用文献 | Molecular basis of cyclic tetra-oligoadenylate processing by small standalone CRISPR-Cas ring nucleases. Nucleic Acids Res., 50, 2022
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7ZAD
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![BU of 7zad by Molmil](/molmil-images/mine/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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7S0M
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7Z9H
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![BU of 7z9h by Molmil](/molmil-images/mine/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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7S09
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7ZFS
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![BU of 7zfs by Molmil](/molmil-images/mine/7zfs) | BRD4 in complex with FragLite32 | 分子名称: | 1,2-ETHANEDIOL, 4-bromanyl-1,2-dimethoxy-benzene, Bromodomain-containing protein 4, ... | 著者 | Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M. | 登録日 | 2022-04-01 | 公開日 | 2022-11-23 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.25 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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7S7W
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![BU of 7s7w by Molmil](/molmil-images/mine/7s7w) | Crystal structure of iNicSnFR3a Nicotine Sensor precursor binding protein | 分子名称: | 1,2-ETHANEDIOL, SODIUM ION, iNicSnFR 3.0 Fluorescent Nicotine Sensor precursor binding protein | 著者 | Fan, C, Shivange, A.V, Looger, L.L, Lester, H.A, Rees, D.C. | 登録日 | 2021-09-17 | 公開日 | 2021-10-13 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | 主引用文献 | Structure, Function, and Application of Bacterial ABC Transporters Ph.D.Thesis,California Institute of Technology, 2020
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7Z9S
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![BU of 7z9s by Molmil](/molmil-images/mine/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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7S7U
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![BU of 7s7u by Molmil](/molmil-images/mine/7s7u) | Crystal structure of iNicSnFR3a Fluorescent Nicotine Sensor with nicotine bound | 分子名称: | iNicSnFR 3.0 Fluorescent Nicotine Sensor | 著者 | Fan, C, Shivange, A.V, Looger, L.L, Lester, H.A, Rees, D.C. | 登録日 | 2021-09-17 | 公開日 | 2021-10-13 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.95 Å) | 主引用文献 | Correction: Fluorescence activation mechanism and imaging of drug permeation with new sensors for smoking-cessation ligands. Elife, 11, 2022
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7S2Z
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![BU of 7s2z by Molmil](/molmil-images/mine/7s2z) | |