8B94
 
 | | Crystal structure of PPARG and NCOR2 with BAY-5516, an inverse agonist | | 分子名称: | Nuclear receptor corepressor 2, Peroxisome proliferator-activated receptor gamma, ~{N}3-[4-[bis(fluoranyl)methoxy]-2-methyl-phenyl]-4-chloranyl-6-fluoranyl-~{N}1-[(4-fluorophenyl)methyl]benzene-1,3-dicarboxamide | | 著者 | Friberg, A, Orsi, D.L, Pook, E, Siegel, S, Lemke, C.T, Stellfeld, T, Puetter, V, Goldstein, J. | | 登録日 | 2022-10-05 | | 公開日 | 2022-12-28 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Discovery and characterization of orally bioavailable 4-chloro-6-fluoroisophthalamides as covalent PPARG inverse-agonists.
Bioorg.Med.Chem., 78, 2022
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8B8X
 | | Crystal structure of PPARG and NCOR2 with SR10221, an inverse agonist | | 分子名称: | (2S)-2-{5-[(5-{[(1S)-1-(4-tert-butylphenyl)ethyl]carbamoyl}-2,3-dimethyl-1H-indol-1-yl)methyl]-2-chlorophenoxy}propanoic acid, Nuclear receptor corepressor 2, Peroxisome proliferator-activated receptor gamma | | 著者 | Friberg, A, Orsi, D.L, Pook, E, Siegel, S, Lemke, C.T, Stellfeld, T, Puetter, V, Goldstein, J. | | 登録日 | 2022-10-05 | | 公開日 | 2022-12-28 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | | 主引用文献 | Discovery and characterization of orally bioavailable 4-chloro-6-fluoroisophthalamides as covalent PPARG inverse-agonists.
Bioorg.Med.Chem., 78, 2022
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5N11
 | | Crystal structure of Human beta1-coronavirus OC43 NL/A/2005 Hemagglutinin-Esterase | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETIC ACID, ... | | 著者 | Bakkers, M.J.G, Feitsma, L.J, de Groot, R.J, Huizinga, E.G. | | 登録日 | 2017-02-04 | | 公開日 | 2017-03-22 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | | 主引用文献 | Betacoronavirus Adaptation to Humans Involved Progressive Loss of Hemagglutinin-Esterase Lectin Activity.
Cell Host Microbe, 21, 2017
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5G3E
 | | Preserving Metallic Sites Affected by Radiation DAmage the CuT2 CAse in THermus Thermophilus Multicopper Oxidase | | 分子名称: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, COPPER (II) ION, ... | | 著者 | Ruiz-Arellano, R, Diaz, A, Rosas, E, Rudino, E. | | 登録日 | 2016-04-25 | | 公開日 | 2017-05-24 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | | 主引用文献 | Preserving Metallic Sites Affected by Radiation Damage the Cut2 Case in Thermus Thermophilus Multicopper Oxidase
To be Published
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7QW3
 | | R396W mutant of the vanadium-dependent bromoperoxidase from Corallina pilulifera in complex with Br ion. | | 分子名称: | BROMIDE ION, CALCIUM ION, GLYCEROL, ... | | 著者 | Isupov, M.N, Mitchell, D, Littelchild, J.A, Garcia-Rodriguez, E. | | 登録日 | 2022-01-24 | | 公開日 | 2023-02-01 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | | 主引用文献 | R396W mutant of the vanadium-dependent bromoperoxidase from Corallina pilulifera
To Be Published
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4YH8
 | | Structure of yeast U2AF complex | | 分子名称: | Splicing factor U2AF 23 kDa subunit, Splicing factor U2AF 59 kDa subunit, ZINC ION | | 著者 | Yoshida, H, Park, S.Y, Urano, T, Obayashi, E. | | 登録日 | 2015-02-27 | | 公開日 | 2015-08-12 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | A novel 3' splice site recognition by the two zinc fingers in the U2AF small subunit.
Genes Dev., 29, 2015
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8B92
 | | Crystal structure of PPARG and NCOR2 with an inverse agonist (compound SI-2) | | 分子名称: | 4-chloranyl-6-fluoranyl-~{N}3-[2-fluoranyl-4-(oxetan-3-yl)phenyl]-~{N}1-[(2-methoxyphenyl)methyl]benzene-1,3-dicarboxamide, Nuclear receptor corepressor 2, Peroxisome proliferator-activated receptor gamma, ... | | 著者 | Friberg, A, Orsi, D.L, Pook, E, Siegel, S, Lemke, C.T, Stellfeld, T, Puetter, V, Goldstein, J. | | 登録日 | 2022-10-05 | | 公開日 | 2022-12-28 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.66 Å) | | 主引用文献 | Discovery and characterization of orally bioavailable 4-chloro-6-fluoroisophthalamides as covalent PPARG inverse-agonists.
Bioorg.Med.Chem., 78, 2022
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5JJ6
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8B95
 | | Crystal structure of PPARG and NCOR2 with BAY-9683, an inverse agonist | | 分子名称: | Nuclear receptor corepressor 2, Peroxisome proliferator-activated receptor gamma, ~{N}1-[[3,4-bis(fluoranyl)phenyl]methyl]-4-chloranyl-6-fluoranyl-~{N}3-(3-methyl-5-morpholin-4-yl-pyridin-2-yl)benzene-1,3-dicarboxamide | | 著者 | Friberg, A, Orsi, D.L, Pook, E, Siegel, S, Lemke, C.T, Stellfeld, T, Puetter, V, Goldstein, J. | | 登録日 | 2022-10-05 | | 公開日 | 2022-12-28 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | | 主引用文献 | Discovery and characterization of orally bioavailable 4-chloro-6-fluoroisophthalamides as covalent PPARG inverse-agonists.
Bioorg.Med.Chem., 78, 2022
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6F0D
 | | Crystal structure of a llama VHH antibody BCD090-M2 against human ErbB3 in space group P1 with cadmium ions | | 分子名称: | CADMIUM ION, VHH antibody BCD090-M2 | | 著者 | Eliseev, I.E, Yudenko, A.N, Vysochinskaya, V.V, Svirina, A.A, Evstratyeva, A.V, Drozhzhachih, M.S, Krendeleva, E.A, Vladimirova, A.K, Nemankin, T.A, Ekimova, V.M, Ulitin, A.B, Lomovskaya, M.I, Yakovlev, P.A, Moiseenko, F.V, Chakchir, O.B. | | 登録日 | 2017-11-19 | | 公開日 | 2017-11-29 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (1.90000749 Å) | | 主引用文献 | Crystal structures of a llama VHH antibody BCD090-M2 targeting human ErbB3 receptor.
F1000Res, 7, 2018
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5JJF
 | | Structure of the SRII/HtrII Complex in I212121 space group ("U" shape) - M state | | 分子名称: | EICOSANE, RETINAL, Sensory rhodopsin II transducer, ... | | 著者 | Ishchenko, A, Round, E, Borshchevskiy, V, Grudinin, S, Gushchin, I, Klare, J, Remeeva, A, Polovinkin, V, Utrobin, P, Balandin, T, Engelhard, M, Bueldt, G, Gordeliy, V. | | 登録日 | 2016-04-23 | | 公開日 | 2017-02-15 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | New Insights on Signal Propagation by Sensory Rhodopsin II/Transducer Complex.
Sci Rep, 7, 2017
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7QVW
 | | R396W mutant of the vanadium-dependent bromoperoxidase from Corallina pilulifera | | 分子名称: | CALCIUM ION, GLYCEROL, PHOSPHATE ION, ... | | 著者 | Isupov, M.N, Mitchell, D, Littelchild, J.A, Garcia-Rodriguez, E. | | 登録日 | 2022-01-23 | | 公開日 | 2023-02-01 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.922 Å) | | 主引用文献 | R396W mutant of the vanadium-dependent bromoperoxidase from Corallina pilulifera
To Be Published
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8BLV
 | | The PDZ domains of human SDCBP with a bound SDC4 C-terminal peptide | | 分子名称: | 1,2-ETHANEDIOL, SULFATE ION, Syndecan-4, ... | | 著者 | Bradshaw, W.J, Katis, V.L, Daniel-Mozo, M, Bountra, C, von Delft, F, Brennan, P.E. | | 登録日 | 2022-11-10 | | 公開日 | 2022-12-21 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | The PDZ domains of human SDCBP with a bound SDC4 C-terminal peptide
To Be Published
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7QYY
 | | Vanadium-dependent bromoperoxidase from Corallina pilulifera in complex with chloride | | 分子名称: | CALCIUM ION, CHLORIDE ION, GLYCEROL, ... | | 著者 | Isupov, M.N, Mitchell, D, Littelchild, J.A, Garcia-Rodriguez, E. | | 登録日 | 2022-01-29 | | 公開日 | 2023-02-08 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.999 Å) | | 主引用文献 | R396W mutant of the vanadium-dependent bromoperoxidase from Corallina pilulifera
To Be Published
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8B93
 | | Crystal structure of PPARG and NCOR2 with an inverse agonist (compound 15b) | | 分子名称: | 4-chloranyl-6-fluoranyl-~{N}1-[[4-fluoranyl-2-(2-methoxyethoxymethyl)phenyl]methyl]-~{N}3-[2-methyl-4-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide, Nuclear receptor corepressor 2, Peroxisome proliferator-activated receptor gamma | | 著者 | Friberg, A, Orsi, D.L, Pook, E, Siegel, S, Lemke, C.T, Stellfeld, T, Puetter, V, Goldstein, J. | | 登録日 | 2022-10-05 | | 公開日 | 2022-12-28 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (2.21 Å) | | 主引用文献 | Discovery and characterization of orally bioavailable 4-chloro-6-fluoroisophthalamides as covalent PPARG inverse-agonists.
Bioorg.Med.Chem., 78, 2022
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6M3U
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7QWI
 | | Vanadate complex of the vanadium-dependent bromoperoxidase from Corallina pilulifera | | 分子名称: | 1,2-ETHANEDIOL, BROMIDE ION, CALCIUM ION, ... | | 著者 | Isupov, M.N, Mitchell, D, Littelchild, J.A, Garcia-Rodriguez, E. | | 登録日 | 2022-01-25 | | 公開日 | 2023-02-01 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | R396W mutant of the vanadium-dependent bromoperoxidase from Corallina pilulifera
To Be Published
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4YIQ
 | | Structure of the CEACAM6-CEACAM8 heterodimer | | 分子名称: | CHLORIDE ION, Carcinoembryonic antigen-related cell adhesion molecule 6, Carcinoembryonic antigen-related cell adhesion molecule 8, ... | | 著者 | Bonsor, D.A, Sundberg, E.J. | | 登録日 | 2015-03-02 | | 公開日 | 2015-10-07 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Diverse oligomeric states of CEACAM IgV domains.
Proc.Natl.Acad.Sci.USA, 112, 2015
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9AXC
 | | Activated CRAF/MEK heterotetramer from focused refinement of CRAF/MEK/14-3-3 complex | | 分子名称: | Dual specificity mitogen-activated protein kinase kinase 1, GST26/CRAF chimera, N-[3-fluoro-4-({7-[(3-fluoropyridin-2-yl)oxy]-4-methyl-2-oxo-2H-1-benzopyran-3-yl}methyl)pyridin-2-yl]-N'-methylsulfuric diamide | | 著者 | Quade, B, Cohen, S.E, Huang, X. | | 登録日 | 2024-03-06 | | 公開日 | 2024-04-17 | | 最終更新日 | 2024-07-10 | | 実験手法 | ELECTRON MICROSCOPY (4.16 Å) | | 主引用文献 | The Pan-RAF-MEK Nondegrading Molecular Glue NST-628 Is a Potent and Brain-Penetrant Inhibitor of the RAS-MAPK Pathway with Activity across Diverse RAS- and RAF-Driven Cancers.
Cancer Discov, 14, 2024
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5JNB
 | | structure of GLD-2/RNP-8 complex | | 分子名称: | 1,2-ETHANEDIOL, MAGNESIUM ION, Poly(A) RNA polymerase gld-2, ... | | 著者 | Nakel, K, Bonneau, F, Basquin, C, Eckmann, C.R, Conti, E. | | 登録日 | 2016-04-29 | | 公開日 | 2016-06-22 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.486 Å) | | 主引用文献 | Structural basis for the antagonistic roles of RNP-8 and GLD-3 in GLD-2 poly(A)-polymerase activity.
Rna, 22, 2016
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6GM8
 | | [FeFe]-hydrogenase CpI from Clostridium pasteurianum, variant E282Q | | 分子名称: | FE2/S2 (INORGANIC) CLUSTER, IRON/SULFUR CLUSTER, Iron hydrogenase 1, ... | | 著者 | Duan, J, Esselborn, J, Hofmann, E, Winkler, M, Happe, T. | | 登録日 | 2018-05-24 | | 公開日 | 2018-11-07 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | | 主引用文献 | Crystallographic and spectroscopic assignment of the proton transfer pathway in [FeFe]-hydrogenases.
Nat Commun, 9, 2018
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6F39
 | | C1r homodimer CUB1-EGF-CUB2 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Complement C1r subcomponent, ... | | 著者 | Almitairi, J.O.M, Venkatraman Girija, U, Furze, C.M, Simpson-Gray, X, Badakshi, F, Marshall, J.E, Mitchell, D.A, Moody, P.C.E, Wallis, R. | | 登録日 | 2017-11-28 | | 公開日 | 2018-01-24 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (5.801 Å) | | 主引用文献 | Structure of the C1r-C1s interaction of the C1 complex of complement activation.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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7MRI
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4YJH
 | | Crystal structure of DAAO(Y228L/R283G) variant (R-2-phenylpyrrolidine binding form) | | 分子名称: | (2R)-2-phenylpyrrolidine, D-amino-acid oxidase, FLAVIN-ADENINE DINUCLEOTIDE, ... | | 著者 | Nakano, S, Yasukawa, K, Kawahara, N, Ishitsubo, E, Tokiwa, H, Asano, Y. | | 登録日 | 2015-03-03 | | 公開日 | 2016-04-06 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Crystal structure of DAAO variant
To Be Published
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8B8Y
 | | Crystal structure of PPARG and NCOR2 with an inverse agonist (compound 7e) | | 分子名称: | 4,5-bis(chloranyl)-~{N}3-phenyl-~{N}1-(phenylmethyl)benzene-1,3-dicarboxamide, Nuclear receptor corepressor 2, Peroxisome proliferator-activated receptor gamma | | 著者 | Holton, S.J, Friberg, A, Orsi, D.L, Pook, E, Siegel, S, Lemke, C.T, Stellfeld, T, Puetter, V, Goldstein, J. | | 登録日 | 2022-10-05 | | 公開日 | 2022-12-28 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Discovery and characterization of orally bioavailable 4-chloro-6-fluoroisophthalamides as covalent PPARG inverse-agonists.
Bioorg.Med.Chem., 78, 2022
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