3IYW
 
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3J0P
 | | Core of mammalian 80S pre-ribosome in complex with tRNAs fitted to a 10.6A cryo-em map: rotated PRE state 1 | | 分子名称: | 40S ribosomal RNA fragment, 60S ribosomal RNA fragment, Ribosomal protein L10a, ... | | 著者 | Budkevich, T, Giesebrecht, J, Altman, R, Munro, J, Mielke, T, Nierhaus, K, Blanchard, S, Spahn, C.M. | | 登録日 | 2011-10-06 | | 公開日 | 2011-11-16 | | 最終更新日 | 2024-02-21 | | 実験手法 | ELECTRON MICROSCOPY (10.6 Å) | | 主引用文献 | Structure and dynamics of the Mammalian ribosomal pretranslocation complex.
Mol.Cell, 44, 2011
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5C7M
 | | CRYSTAL STRUCTURE OF E3 LIGASE ITCH WITH A UB VARIANT | | 分子名称: | E3 ubiquitin-protein ligase Itchy homolog, Polyubiquitin-C | | 著者 | Walker, J.R, Hu, J, Dong, A, Wernimont, A, Zhang, W, Sidhu, S, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Tong, Y, Structural Genomics Consortium (SGC) | | 登録日 | 2015-06-24 | | 公開日 | 2016-03-16 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (3.03 Å) | | 主引用文献 | System-Wide Modulation of HECT E3 Ligases with Selective Ubiquitin Variant Probes.
Mol.Cell, 62, 2016
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8ESS
 | | Myoglobin variant Mb-cIII complex | | 分子名称: | Myoglobin, SULFATE ION, [2,18-bis(2-carboxyethyl)-7,12-diethenyl-3,8,13,17-tetramethyl-21-(2-oxo-3-phenylpropyl)porphyrin-21-iumato(2-)-kappa~3~N~22~,N~23~,N~24~]iron(2+) | | 著者 | Bacik, J.P, Fasan, R, Ando, N. | | 登録日 | 2022-10-14 | | 公開日 | 2023-12-06 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Mechanistic manifold in a hemoprotein-catalyzed cyclopropanation reaction with diazoketone.
Nat Commun, 14, 2023
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8ESU
 | | Myoglobin variant Mb-imi complex | | 分子名称: | IMIDAZOLE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | | 著者 | Bacik, J.P, Fasan, R, Ando, N. | | 登録日 | 2022-10-14 | | 公開日 | 2023-12-06 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.04 Å) | | 主引用文献 | Mechanistic manifold in a hemoprotein-catalyzed cyclopropanation reaction with diazoketone.
Nat Commun, 14, 2023
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3J5M
 | | Cryo-EM structure of the BG505 SOSIP.664 HIV-1 Env trimer with 3 PGV04 Fabs | | 分子名称: | BG505 SOSIP gp120, BG505 SOSIP gp41, PGV04 heavy chain, ... | | 著者 | Lyumkis, D, Julien, J.-P, Wilson, I.A, Ward, A.B. | | 登録日 | 2013-10-26 | | 公開日 | 2013-11-13 | | 最終更新日 | 2018-07-18 | | 実験手法 | ELECTRON MICROSCOPY (5.8 Å) | | 主引用文献 | Cryo-EM structure of a fully glycosylated soluble cleaved HIV-1 envelope trimer.
Science, 342, 2013
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7PWT
 | | Crystal structure of 14-3-3 sigma in complex with a C-terminal Estrogen Receptor alpha phosphopeptide, stabilised by pyrrolidone derivative 228 | | 分子名称: | (2~{R})-1-(2-hydroxyphenyl)-2-(4-nitrophenyl)-4-oxidanyl-3-(phenylcarbonyl)-2~{H}-pyrrol-5-one, 14-3-3 protein sigma, C-terminus of Estrogen receptor alpha, ... | | 著者 | Andrei, S.A, Bosica, F, O'Mahony, G, Ottmann, C. | | 登録日 | 2021-10-07 | | 公開日 | 2022-12-21 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.312 Å) | | 主引用文献 | Designing Selective Drug-like Molecular Glues for the Glucocorticoid Receptor/14-3-3 Protein-Protein Interaction.
J.Med.Chem., 65, 2022
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7PWZ
 | | Crystal structure of 14-3-3 sigma in complex with a C-terminal Estrogen Receptoralpha phosphopeptide, stabilised by Pyrrolidone1 derivative 228 | | 分子名称: | 14-3-3 protein sigma, 2-oxidanyl-5-[(2~{R})-4-oxidanyl-5-oxidanylidene-2-(1-oxidanylidene-3~{H}-2-benzofuran-5-yl)-3-(phenylcarbonyl)-2~{H}-pyrrol-1-yl]benzoic acid, C-terminus of Estrogen receptor alpha, ... | | 著者 | Andrei, S.A, Bosica, F, O'Mahony, G, Ottmann, C. | | 登録日 | 2021-10-07 | | 公開日 | 2022-12-21 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Designing Selective Drug-like Molecular Glues for the Glucocorticoid Receptor/14-3-3 Protein-Protein Interaction.
J.Med.Chem., 65, 2022
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7Q6U
 | | Crystal structure of the bromodomain of ATAD2 with phenol HTS hit (cpd 6) | | 分子名称: | (1R,9S)-13-(3,5-dimethoxy-4-oxidanyl-phenyl)carbonyl-11,13-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4,6-trien-10-one, ATPase family AAA domain-containing protein 2, SULFATE ION | | 著者 | Patel, S.J, Winter-Holt, J.J. | | 登録日 | 2021-11-09 | | 公開日 | 2022-01-19 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Discovery of a Potent and Selective ATAD2 Bromodomain Inhibitor with Antiproliferative Activity in Breast Cancer Models.
J.Med.Chem., 65, 2022
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7Q6T
 | | Crystal structure of the bromodomain of ATAD2 with AZ13824374 | | 分子名称: | (1R,9S,12R)-13-[[8-[[1-(2-fluoranyl-2-methyl-propyl)piperidin-4-yl]amino]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]carbonyl]-12-propan-2-yl-11,13-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4,6-trien-10-one, ATPase family AAA domain-containing protein 2, SULFATE ION | | 著者 | Patel, S.J, Winter-Holt, J.J. | | 登録日 | 2021-11-09 | | 公開日 | 2022-01-19 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Discovery of a Potent and Selective ATAD2 Bromodomain Inhibitor with Antiproliferative Activity in Breast Cancer Models.
J.Med.Chem., 65, 2022
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3JAN
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7Q6W
 | | Crystal structure of the bromodomain of ATAD2 with triazolopyridazine (cpd 22) | | 分子名称: | (1R,9S)-13-[[3-methyl-8-[(1-methylpiperidin-4-yl)amino]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]carbonyl]-11,13-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4,6-trien-10-one, ATPase family AAA domain-containing protein 2, SULFATE ION | | 著者 | Patel, S.J, Winter-Holt, J.J. | | 登録日 | 2021-11-09 | | 公開日 | 2022-01-19 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | | 主引用文献 | Discovery of a Potent and Selective ATAD2 Bromodomain Inhibitor with Antiproliferative Activity in Breast Cancer Models.
J.Med.Chem., 65, 2022
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7Q6V
 | | Crystal structure of the bromodomain of ATAD2 with triazolopyridine (cpd 14) | | 分子名称: | (1R,9S)-13-[(8-azanyl-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)carbonyl]-11,13-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4,6-trien-10-one, ATPase family AAA domain-containing protein 2, SULFATE ION | | 著者 | Patel, S.J, Winter-Holt, J.J. | | 登録日 | 2021-11-09 | | 公開日 | 2022-01-19 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | | 主引用文献 | Discovery of a Potent and Selective ATAD2 Bromodomain Inhibitor with Antiproliferative Activity in Breast Cancer Models.
J.Med.Chem., 65, 2022
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5J6A
 | | Crystal structure of pyruvate dehydrogenase kinase isoform 2 in complex with inhibitor PS46 | | 分子名称: | (3S)-3-amino-4-[4-({2-[(2,4-dihydroxyphenyl)sulfonyl]-2H-isoindol-5-yl}amino)piperidin-1-yl]-4-oxobutanamide, [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial | | 著者 | Gui, W.J, Tso, S.C, Chuang, J.L, Wu, C.Y, Qi, X, Wynn, R.M, Chuang, D.T. | | 登録日 | 2016-04-04 | | 公開日 | 2017-01-25 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.045 Å) | | 主引用文献 | Development of Dihydroxyphenyl Sulfonylisoindoline Derivatives as Liver-Targeting Pyruvate Dehydrogenase Kinase Inhibitors.
J. Med. Chem., 60, 2017
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7AV8
 | | Crystal Structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in space group P21212 | | 分子名称: | PH-interacting protein | | 著者 | Krojer, T, Talon, R, Fairhead, M, Szykowska, A, Burgess-Brown, N.A, Brennan, P.E, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F, Structural Genomics Consortium (SGC) | | 登録日 | 2020-11-04 | | 公開日 | 2021-01-13 | | 最終更新日 | 2024-08-07 | | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | | 主引用文献 | Crystal Structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in space group P21212
To Be Published
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7AVC
 | | DoBi scaffold based on PIH1D1 N-terminal domain | | 分子名称: | GLYCEROL, PIH1 domain-containing protein 1, SODIUM ION | | 著者 | Kolenko, P, Pham, N.P, Pavlicek, J, Mikulecky, P, Schneider, B. | | 登録日 | 2020-11-05 | | 公開日 | 2021-02-10 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 主引用文献 | Protein Binder (ProBi) as a New Class of Structurally Robust Non-Antibody Protein Scaffold for Directed Evolution.
Viruses, 13, 2021
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7ALM
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5C7J
 | | CRYSTAL STRUCTURE OF NEDD4 WITH A UB VARIANT | | 分子名称: | E3 ubiquitin-protein ligase NEDD4, Polyubiquitin-C | | 著者 | Walker, J.R, Hu, J, Dong, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Tong, Y, Structural Genomics Consortium (SGC) | | 登録日 | 2015-06-24 | | 公開日 | 2016-03-16 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | System-Wide Modulation of HECT E3 Ligases with Selective Ubiquitin Variant Probes.
Mol.Cell, 62, 2016
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5FPN
 | | Structure of heat shock-related 70kDA protein 2 with small-molecule ligand 3,5-dimethyl-1H-pyrazole-4-carboxylic acid (AT9084) in an alternate binding site. | | 分子名称: | 3,5-DIMETHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID, HEAT SHOCK-RELATED 70 KDA PROTEIN 2 | | 著者 | Jhoti, H, Ludlow, R.F, Patel, S, Saini, H.K, Tickle, I.J, Verdonk, M. | | 登録日 | 2015-12-02 | | 公開日 | 2015-12-23 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | | 主引用文献 | Detection of Secondary Binding Sites in Proteins Using Fragment Screening.
Proc.Natl.Acad.Sci.USA, 112, 2015
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7QQ6
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5FP6
 | | Structure of cyclin-dependent kinase 2 with small-molecule ligand 3-(4,7-dichloro-1H-indol-3-yl)prop-2-yn-1-ol (AT17833) in an alternate binding site. | | 分子名称: | 3-(4,7-dichloro-1H-indol-3-yl)prop-2-yn-1-ol, CYCLIN-DEPENDENT KINASE 2 | | 著者 | Jhoti, H, Ludlow, R.F, O'Reilly, M, Saini, H.K, Tickle, I.J, Verdonk, M. | | 登録日 | 2015-11-27 | | 公開日 | 2015-12-23 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Detection of Secondary Binding Sites in Proteins Using Fragment Screening.
Proc.Natl.Acad.Sci.USA, 112, 2015
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7Q96
 | | Keap1 compound complex | | 分子名称: | 4-[(5S,8R)-5-(dimethylcarbamoyl)-8-[[(2S)-1-ethanoylpyrrolidin-2-yl]carbonylamino]-7,11-bis(oxidanylidene)-10-oxa-3-thia-6-azabicyclo[10.4.0]hexadeca-1(16),12,14-trien-16-yl]benzoic acid, CHLORIDE ION, Kelch-like ECH-associated protein 1 | | 著者 | Johansson, P. | | 登録日 | 2021-11-12 | | 公開日 | 2022-03-16 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.415 Å) | | 主引用文献 | Importance of Binding Site Hydration and Flexibility Revealed When Optimizing a Macrocyclic Inhibitor of the Keap1-Nrf2 Protein-Protein Interaction.
J.Med.Chem., 65, 2022
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7QH4
 | | Structure of the B. subtilis disome - collided 70S ribosome | | 分子名称: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | | 著者 | Kratzat, H, Buschauer, R, Berninghausen, O, Beckmann, R. | | 登録日 | 2021-12-10 | | 公開日 | 2022-03-16 | | 最終更新日 | 2024-07-17 | | 実験手法 | ELECTRON MICROSCOPY (5.45 Å) | | 主引用文献 | Ribosome collisions induce mRNA cleavage and ribosome rescue in bacteria.
Nature, 603, 2022
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7Q6S
 | | Keap1 compound complex | | 分子名称: | (5S,8R)-16-(2,1,3-benzoxadiazol-4-yl)-8-[[(2S)-1-ethanoylpyrrolidin-2-yl]carbonylamino]-N,N-dimethyl-7,11-bis(oxidanylidene)-10-oxa-3-thia-6-azabicyclo[10.4.0]hexadeca-1(16),12,14-triene-5-carboxamide, CHLORIDE ION, Kelch-like ECH-associated protein 1 | | 著者 | Johansson, P. | | 登録日 | 2021-11-09 | | 公開日 | 2022-03-16 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.143 Å) | | 主引用文献 | Importance of Binding Site Hydration and Flexibility Revealed When Optimizing a Macrocyclic Inhibitor of the Keap1-Nrf2 Protein-Protein Interaction.
J.Med.Chem., 65, 2022
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7Q6Q
 | | Keap1 compound complex | | 分子名称: | (5S,8R)-N,N-dimethyl-8-[[(2S)-1-[4-(methylamino)-4-oxidanylidene-butanoyl]pyrrolidin-2-yl]carbonylamino]-7,11-bis(oxidanylidene)-10-oxa-3-thia-6-azabicyclo[10.4.0]hexadeca-1(12),13,15-triene-5-carboxamide, CHLORIDE ION, Kelch-like ECH-associated protein 1, ... | | 著者 | Johansson, P. | | 登録日 | 2021-11-09 | | 公開日 | 2022-03-16 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | | 主引用文献 | Importance of Binding Site Hydration and Flexibility Revealed When Optimizing a Macrocyclic Inhibitor of the Keap1-Nrf2 Protein-Protein Interaction.
J.Med.Chem., 65, 2022
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