7XI0
 
 | | Crystal structure of CBP bromodomain liganded with CCS150 | | 分子名称: | (6S)-1-(3-chloranyl-4-methoxy-phenyl)-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-1-methylsulfonylpyrrolidin-3-yl]benzimidazol-2-yl]piperidin-2-one, CREB-binding protein, GLYCEROL | | 著者 | Xu, H, Xiang, Q, Wang, C, Zhang, C, Luo, G, Wu, X, Zhang, Y, Xu, Y. | | 登録日 | 2022-04-11 | | 公開日 | 2022-07-27 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | | 主引用文献 | Structural insights revealed by the cocrystal structure of CCS1477 in complex with CBP bromodomain
Biochem.Biophys.Res.Commun., 623, 2022
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4DOY
 | | Crystal structure of Dibenzothiophene desulfurization enzyme C | | 分子名称: | Dibenzothiophene desulfurization enzyme C, GLYCEROL | | 著者 | Liu, S, Zhang, C, Zhu, D, Gu, L. | | 登録日 | 2012-02-12 | | 公開日 | 2013-02-13 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (1.789 Å) | | 主引用文献 | Crystal structure of DszC from Rhodococcus sp. XP at 1.79 angstrom
Proteins, 82, 2014
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7K1L
 | | Crystal Structure of NSP15 Endoribonuclease from SARS CoV-2 in the Complex with Uridine-2',3'-Vanadate | | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, SULFATE ION, ... | | 著者 | Kim, Y, Maltseva, N, Jedrzejczak, R, Endres, M, Welk, L, Chang, C, Michalska, K, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | 登録日 | 2020-09-07 | | 公開日 | 2020-09-23 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Tipiracil binds to uridine site and inhibits Nsp15 endoribonuclease NendoU from SARS-CoV-2.
Commun Biol, 4, 2021
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7K1O
 | | Crystal Structure of NSP15 Endoribonuclease from SARS CoV-2 in the Complex with Uridine-3',5'-Diphosphate | | 分子名称: | 1,2-ETHANEDIOL, 1-(3,5-di-O-phosphono-alpha-L-xylofuranosyl)pyrimidine-2,4(1H,3H)-dione, Uridylate-specific endoribonuclease | | 著者 | Kim, Y, Maltseva, N, Jedrzejczak, R, Endres, M, Welk, L, Chang, C, Michalska, K, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | 登録日 | 2020-09-08 | | 公開日 | 2020-09-23 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Crystal Structure of NSP15 Endoribonuclease from SARS CoV-2 in the Complex with Uridine-3',5'-Diphosphate
To Be Published
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5T28
 | | mPI3Kd IN COMPLEX WITH 5k | | 分子名称: | 3-(benzotriazol-1-yl)-5-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyrazin-2-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | | 著者 | Petersen, J, Terstige, I, Perry, M, Svensson, T, Tyrchan, C, Lindmark, H, Oster, L. | | 登録日 | 2016-08-23 | | 公開日 | 2017-04-12 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Discovery of triazole aminopyrazines as a highly potent and selective series of PI3K delta inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
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5T2L
 | | mPI3Kd IN COMPLEX WITH 7l | | 分子名称: | 1-[3-azanyl-6-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyrazin-2-yl]pyrazole-3-carboxamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | | 著者 | Petersen, J, Terstige, I, Perry, M, Svensson, T, Tyrchan, C, Lindmark, H, Oster, L. | | 登録日 | 2016-08-23 | | 公開日 | 2017-04-19 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | | 主引用文献 | Discovery of triazole aminopyrazines as a highly potent and selective series of PI3K delta inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
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3SDM
 | | Structure of oligomeric kinase/RNase Ire1 in complex with an oligonucleotide | | 分子名称: | Serine/threonine-protein kinase/endoribonuclease IRE1 | | 著者 | Korennykh, A, Korostelev, A, Egea, P, Finer-Moore, J, Zhang, C, Stroud, R, Shokat, K, Walter, P. | | 登録日 | 2011-06-09 | | 公開日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (6.6 Å) | | 主引用文献 | Cofactor-mediated conformational control in the bifunctional kinase/RNase Ire1.
Bmc Biol., 9, 2011
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7EVJ
 | | Crystal structure of CBP bromodomain liganded with 9c | | 分子名称: | 3-acetyl-1-((3-(1-cyclopropyl-1H-pyrazol-4-yl)-2-fluoro-5-(hydroxymethyl)phenyl)carbamoyl)indolizin-7-yl dimethylcarbamate, CREB-binding protein, GLYCEROL, ... | | 著者 | Xiang, Q, Wang, C, Wu, T, Zhang, Y, Zhang, C, Luo, G, Wu, X, Shen, H, Xu, Y. | | 登録日 | 2021-05-21 | | 公開日 | 2022-02-16 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.57 Å) | | 主引用文献 | Design, Synthesis, and Biological Evaluation of 1-(Indolizin-3-yl)ethan-1-ones as CBP Bromodomain Inhibitors for the Treatment of Prostate Cancer.
J.Med.Chem., 65, 2022
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2JQL
 | | NMR structure of the yeast Dun1 FHA domain in complex with a doubly phosphorylated (pT) peptide derived from Rad53 SCD1 | | 分子名称: | DNA damage response protein kinase DUN1, Serine/threonine-protein kinase RAD53 | | 著者 | Yuan, C, Lee, H, Chang, C, Heierhorst, J, Tsai, M. | | 登録日 | 2007-06-02 | | 公開日 | 2008-06-24 | | 最終更新日 | 2023-12-20 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Diphosphothreonine-specific interaction between an SQ/TQ cluster and an FHA domain in the Rad53-Dun1 kinase cascade.
Mol.Cell, 30, 2008
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2JQJ
 | | NMR structure of yeast Dun1 FHA domain | | 分子名称: | DNA damage response protein kinase DUN1 | | 著者 | Yuan, C, Lee, H, Chang, C, Heierhorst, J, Tsai, M. | | 登録日 | 2007-06-02 | | 公開日 | 2008-06-24 | | 最終更新日 | 2023-12-20 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Diphosphothreonine-specific interaction between an SQ/TQ cluster and an FHA domain in the Rad53-Dun1 kinase cascade.
Mol.Cell, 30, 2008
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2ESN
 | | The crystal structure of probable transcriptional regulator PA0477 from Pseudomonas aeruginosa | | 分子名称: | probable transcriptional regulator | | 著者 | Lunin, V.V, Chang, C, Skarina, T, Gorodischenskaya, E, Edwards, A.M, Joachimiak, A, Savchenko, A, Midwest Center for Structural Genomics (MCSG) | | 登録日 | 2005-10-26 | | 公開日 | 2005-11-01 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | The crystal structure of putative transcriptional regulator Pa0477 from Pseudomonas aeruginosa
To be Published
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2QM2
 | | Putative HopJ type III effector protein from Vibrio parahaemolyticus | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, POTASSIUM ION, ... | | 著者 | Kim, Y, Chang, C, Volkart, L, Abdullah, J, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | 登録日 | 2007-07-13 | | 公開日 | 2007-07-31 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | | 主引用文献 | Crystal Structure of Putative HopJ type III Effector Protein from Vibrio parahaemolyticus.
To be Published
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5F6W
 | | Crystal structure of Ubc9 (K48/K49A/E54A) complexed with Fragment 1 (biphenol) | | 分子名称: | 2-(2-hydroxyphenyl)phenol, SUMO-conjugating enzyme UBC9 | | 著者 | Lountos, G.T, Hewitt, W.M, Zlotkowski, K, Dahlhauser, S, Saunders, L.B, Needle, D, Tropea, J.E, Zhan, C, Wei, G, Ma, B, Nussinov, R, Schneekloth, J.S.Jr, Waugh, D.S. | | 登録日 | 2015-12-07 | | 公開日 | 2016-04-27 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.699 Å) | | 主引用文献 | Insights Into the Allosteric Inhibition of the SUMO E2 Enzyme Ubc9.
Angew.Chem.Int.Ed.Engl., 55, 2016
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3P1M
 | | Crystal structure of human ferredoxin-1 (FDX1) in complex with iron-sulfur cluster | | 分子名称: | Adrenodoxin, mitochondrial, CITRATE ANION, ... | | 著者 | Chaikuad, A, Johansson, C, Krojer, T, Yue, W.W, Phillips, C, Bray, J.E, Pike, A.C.W, Muniz, J.R.C, Vollmar, M, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Kavanagh, K, Oppermann, U, Structural Genomics Consortium (SGC) | | 登録日 | 2010-09-30 | | 公開日 | 2010-11-03 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.54 Å) | | 主引用文献 | Crystal structure of human ferredoxin-1 (FDX1) in complex with iron-sulfur cluster
To be Published
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2G64
 | | Structure of Caenorhabditis elegans 6-pyruvoyl tetrahydropterin synthase | | 分子名称: | GLYCEROL, Putative 6-pyruvoyl tetrahydrobiopterin synthase, SODIUM ION, ... | | 著者 | Wengerter, B.C, Patskovsky, Y, Zhan, C, Ramagopal, U, Milstein, S, Vidal, M, Almo, S.C, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC) | | 登録日 | 2006-02-24 | | 公開日 | 2006-03-14 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Crystal Structure of Caenorhabditis Elegans 6-Pyruvoyl Tetrahydropterin Synthase
To be Published
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5F6V
 | | Crystal structure of Ubc9 (K48/K49A/E54A) complexed with Fragment 1 (biphenol from fragment cocktail screen) | | 分子名称: | 2-(2-hydroxyphenyl)phenol, SUMO-conjugating enzyme UBC9 | | 著者 | Lountos, G.T, Hewitt, W.M, Zlotkowski, K, Dahlhauser, S, Saunders, L.B, Needle, D, Tropea, J.E, Zhan, C, Wei, G, Ma, B, Nussinov, R, Schneekloth, J.S.Jr, Waugh, D.S. | | 登録日 | 2015-12-07 | | 公開日 | 2016-04-27 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.492 Å) | | 主引用文献 | Insights Into the Allosteric Inhibition of the SUMO E2 Enzyme Ubc9.
Angew.Chem.Int.Ed.Engl., 55, 2016
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4GJT
 | | complex structure of nectin-4 bound to MV-H | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin glycoprotein, Poliovirus receptor-related protein 4 | | 著者 | Zhang, X, Lu, G, Qi, J, Li, Y, He, Y, Xu, X, Shi, J, Zhang, C, Yan, J, Gao, G.F. | | 登録日 | 2012-08-10 | | 公開日 | 2012-10-10 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (3.1001 Å) | | 主引用文献 | Structure of measles virus hemagglutinin bound to its epithelial receptor nectin-4
Nat.Struct.Mol.Biol., 20, 2013
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3PDS
 | | Irreversible Agonist-Beta2 Adrenoceptor Complex | | 分子名称: | 8-hydroxy-5-[(1R)-1-hydroxy-2-({2-[3-methoxy-4-(3-sulfanylpropoxy)phenyl]ethyl}amino)ethyl]quinolin-2(1H)-one, CHOLESTEROL, Fusion protein Beta-2 adrenergic receptor/Lysozyme, ... | | 著者 | Rosenbaum, D.M, Zhang, C, Lyons, J.A, Holl, R, Aragao, D, Arlow, D.H, Rasmussen, S.G.F, Choi, H.-J, DeVree, B.T, Sunahara, R.K, Chae, P.S, Gellman, S.H, Dror, R.O, Shaw, D.E, Weis, W.I, Caffrey, M, Gmeiner, P, Kobilka, B.K. | | 登録日 | 2010-10-24 | | 公開日 | 2011-01-12 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (3.5 Å) | | 主引用文献 | Structure and function of an irreversible agonist-beta(2) adrenoceptor complex
Nature, 469, 2011
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5F6X
 | | Crystal structure of Ubc9 (K48/K49A/E54A) complexed with Fragment 2 (mercaptobenzoxazole from cocktail screen) | | 分子名称: | 5-chloranyl-3~{H}-1,3-benzoxazole-2-thione, SUMO-conjugating enzyme UBC9 | | 著者 | Lountos, G.T, Hewitt, W.M, Zlotkowski, K, Dahlhauser, S, Saunders, L.B, Needle, D, Tropea, J.E, Zhan, C, Wei, G, Ma, B, Nussinov, R, Schneekloth, J.S.Jr, Waugh, D.S. | | 登録日 | 2015-12-07 | | 公開日 | 2016-04-27 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.56 Å) | | 主引用文献 | Insights Into the Allosteric Inhibition of the SUMO E2 Enzyme Ubc9.
Angew.Chem.Int.Ed.Engl., 55, 2016
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3PRY
 | | Crystal structure of the middle domain of human HSP90-beta refined at 2.3 A resolution | | 分子名称: | 1,2-ETHANEDIOL, GLYCEROL, Heat shock protein HSP 90-beta, ... | | 著者 | Chaikuad, A, Pilka, E, Sharpe, T.D, Cooper, C.D.O, Phillips, C, Berridge, G, Ayinampudi, V, Fedorov, O, Keates, T, Thangaratnarajah, C, Zimmermann, T, Vollmar, M, Yue, W.W, Che, K.H, Krojer, T, Muniz, J.R.C, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Bullock, A, Structural Genomics Consortium (SGC) | | 登録日 | 2010-11-30 | | 公開日 | 2010-12-15 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.28 Å) | | 主引用文献 | Crystal structure of the middle domain of human HSP90-beta refined at 2.3 A resolution
To be Published
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5F6E
 | | Crystal Structure of human Ubc9 (K48A/K49A/E54A) | | 分子名称: | 1,2-ETHANEDIOL, SUMO-conjugating enzyme UBC9 | | 著者 | Lountos, G.T, Hewitt, W.M, Zlotkowski, Z, Dahlhauser, S, Saunders, L.B, Needle, D, Tropea, J.E, Zhan, C, Wei, G, Ma, B, Nussinov, R, Schneekloth, J.S.Jr, Waugh, D.S. | | 登録日 | 2015-12-05 | | 公開日 | 2016-04-27 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.12 Å) | | 主引用文献 | Insights Into the Allosteric Inhibition of the SUMO E2 Enzyme Ubc9.
Angew.Chem.Int.Ed.Engl., 55, 2016
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5F6U
 | | Crystal Structure of Ubc9 (K48A/K49A/E54A) complexed with Fragment 8 (JSS190B146) | | 分子名称: | SUMO-conjugating enzyme UBC9, ethyl 3-[4-(2-hydroxyphenyl)-3-oxidanyl-phenyl]propanoate | | 著者 | Lountos, G.T, Hewitt, W.M, Zlotkowski, Z, Dahlhauser, S, Saunders, L.B, Needle, D, Tropea, J.E, Zhan, C, Wei, G, Ma, B, Nussinov, R, Schneekloth, J.S.Jr, Waugh, D.S. | | 登録日 | 2015-12-07 | | 公開日 | 2016-04-27 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.552 Å) | | 主引用文献 | Insights Into the Allosteric Inhibition of the SUMO E2 Enzyme Ubc9.
Angew.Chem.Int.Ed.Engl., 55, 2016
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5F6Y
 | | Crystal structure of Ubc9 (K48/K49A/E54A) complexed with Fragment 2 (mercaptobenzoxazole) | | 分子名称: | 5-chloranyl-3~{H}-1,3-benzoxazole-2-thione, SUMO-conjugating enzyme UBC9 | | 著者 | Lountos, G.T, Hewitt, W.M, Zlotkowski, K, Dahlhauser, S, Saunders, L.B, Needle, D, Tropea, J.E, Zhan, C, Wei, G, Ma, B, Nussinov, R, Schneekloth, J.S.Jr, Waugh, D.S. | | 登録日 | 2015-12-07 | | 公開日 | 2016-04-27 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.14 Å) | | 主引用文献 | Insights Into the Allosteric Inhibition of the SUMO E2 Enzyme Ubc9.
Angew.Chem.Int.Ed.Engl., 55, 2016
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4LAF
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4LA4
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