8QNH
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![BU of 8qnh by Molmil](/molmil-images/mine/8qnh) | Crystal structure of the E3 ubiquitin ligase Cbl-b with an allosteric inhibitor (WO2020264398 Ex23) | 分子名称: | 2-{3-[(1s,3R)-3-methyl-1-(4-methyl-4H-1,2,4-triazol-3-yl)cyclobutyl]phenyl}-6-{[(3S)-3-methylpiperidin-1-yl]methyl}-4-(trifluoromethyl)-2,3-dihydro-1H-isoindol-1-one, E3 ubiquitin-protein ligase CBL-B, SODIUM ION, ... | 著者 | Schimpl, M. | 登録日 | 2023-09-26 | 公開日 | 2023-11-22 | 最終更新日 | 2024-01-03 | 実験手法 | X-RAY DIFFRACTION (2.001 Å) | 主引用文献 | Discovery of a Novel Benzodiazepine Series of Cbl-b Inhibitors for the Enhancement of Antitumor Immunity. Acs Med.Chem.Lett., 14, 2023
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5CHQ
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5M17
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![BU of 5m17 by Molmil](/molmil-images/mine/5m17) | Structure of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with mannose-alpha-1,3-1,2-dideoxymannose | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, Glycosyl hydrolase family 71, ... | 著者 | Petricevic, M, Sobala, L.F, Fernandes, P.Z, Raich, L, Thompson, A.J, Bernardo-Seisdedos, G, Millet, O, Zhu, S, Sollogoub, M, Rovira, C, Jimenez-Barbero, J, Davies, G.J, Williams, S.J. | 登録日 | 2016-10-07 | 公開日 | 2017-01-11 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.03 Å) | 主引用文献 | Contribution of Shape and Charge to the Inhibition of a Family GH99 endo-alpha-1,2-Mannanase. J. Am. Chem. Soc., 139, 2017
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3ZM3
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![BU of 3zm3 by Molmil](/molmil-images/mine/3zm3) | Catalytic domain of human SHP2 | 分子名称: | TYROSINE-PROTEIN PHOSPHATASE NON-RECEPTOR TYPE 11 | 著者 | Bohm, K, Schuetz, A, Roske, Y, Heinemann, U. | 登録日 | 2013-02-04 | 公開日 | 2014-04-23 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Selective Inhibitors of the Protein Tyrosine Phosphatase Shp2 Block Cellular Motility and Growth of Cancer Cells in Vitro and in Vivo. Chemmedchem, 10, 2015
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7Q6U
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![BU of 7q6u by Molmil](/molmil-images/mine/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
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![BU of 7q6t by Molmil](/molmil-images/mine/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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7Q6W
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![BU of 7q6w by Molmil](/molmil-images/mine/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
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![BU of 7q6v by Molmil](/molmil-images/mine/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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3ZM0
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![BU of 3zm0 by Molmil](/molmil-images/mine/3zm0) | Catalytic domain of human SHP2 | 分子名称: | TYROSINE-PROTEIN PHOSPHATASE NON-RECEPTOR TYPE 11 | 著者 | Bohm, K, Schuetz, A, Roske, Y, Heinemann, U. | 登録日 | 2013-02-04 | 公開日 | 2014-04-23 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Selective Inhibitors of the Protein Tyrosine Phosphatase Shp2 Block Cellular Motility and Growth of Cancer Cells in Vitro and in Vivo. Chemmedchem, 10, 2015
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8P8G
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![BU of 8p8g by Molmil](/molmil-images/mine/8p8g) | Nitrogenase MoFe protein from A. vinelandii beta double mutant D353G/D357G | 分子名称: | 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, 3-HYDROXY-3-CARBOXY-ADIPIC ACID, ... | 著者 | Maslac, N, Wagner, T. | 登録日 | 2023-06-01 | 公開日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | The Mononuclear Metal-Binding Site of Mo-Nitrogenase Is Not Required for Activity. Jacs Au, 3, 2023
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3ZM2
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![BU of 3zm2 by Molmil](/molmil-images/mine/3zm2) | Catalytic domain of human SHP2 | 分子名称: | TYROSINE-PROTEIN PHOSPHATASE NON-RECEPTOR TYPE 11 | 著者 | Bohm, K, Schuetz, A, Roske, Y, Heinemann, U. | 登録日 | 2013-02-04 | 公開日 | 2014-04-23 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Selective Inhibitors of the Protein Tyrosine Phosphatase Shp2 Block Cellular Motility and Growth of Cancer Cells in Vitro and in Vivo. Chemmedchem, 10, 2015
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8P0K
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8OWG
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![BU of 8owg by Molmil](/molmil-images/mine/8owg) | Crystal structure of D1228V c-MET bound by compound 2 | 分子名称: | 5-[3,5-bis(fluoranyl)phenyl]-1-[(1S)-1-phenylethyl]pyrimidine-2,4-dione, Hepatocyte growth factor receptor | 著者 | Collie, G.W. | 登録日 | 2023-04-27 | 公開日 | 2023-07-05 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (2.631 Å) | 主引用文献 | Discovery and Optimization of the First ATP Competitive Type-III c-MET Inhibitor. J.Med.Chem., 66, 2023
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7QQ6
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6FWL
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![BU of 6fwl by Molmil](/molmil-images/mine/6fwl) | Structure of an E333Q variant of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex alpha-Glc-1,3-(1,2-anhydro-carba-mannose) | 分子名称: | (1~{S},2~{S},3~{R},4~{R},6~{R})-4-(hydroxymethyl)-7-oxabicyclo[4.1.0]heptane-2,3-diol, ACETATE ION, Glycosyl hydrolase family 71, ... | 著者 | Sobala, L.F, Speciale, G, Hakki, Z, Fernandes, P.Z, Raich, L, Rojas-Cervellera, V, Bennet, A, Thompson, A.J, Bernardo-Seisdedos, G, Millet, O, Zhu, S, Lu, D, Sollogoub, M, Rovira, C, Jimenez-Barbero, J, Davies, G.J, Williams, S.J. | 登録日 | 2018-03-06 | 公開日 | 2019-09-18 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.12 Å) | 主引用文献 | An Epoxide Intermediate in Glycosidase Catalysis. Acs Cent.Sci., 6, 2020
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8OVZ
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![BU of 8ovz by Molmil](/molmil-images/mine/8ovz) | Crystal structure of D1228V c-MET bound by compound 16 | 分子名称: | 1-[(1S)-1-[3-(1H-imidazol-4-yl)phenyl]ethyl]-5-(1H-indazol-7-yl)pyrimidine-2,4-dione, Hepatocyte growth factor receptor, IODIDE ION | 著者 | Collie, G.W. | 登録日 | 2023-04-26 | 公開日 | 2023-07-05 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.206 Å) | 主引用文献 | Discovery and Optimization of the First ATP Competitive Type-III c-MET Inhibitor. J.Med.Chem., 66, 2023
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6FWP
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![BU of 6fwp by Molmil](/molmil-images/mine/6fwp) | Structure of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with alpha-1,3-mannobiose and alpha-1,2-mannobiose | 分子名称: | ACETATE ION, Glycosyl hydrolase family 71, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose, ... | 著者 | Sobala, L.F, Speciale, G, Hakki, Z, Fernandes, P.Z, Raich, L, Rojas-Cervellera, V, Bennet, A, Thompson, A.J, Bernardo-Seisdedos, G, Millet, O, Zhu, S, Lu, D, Sollogoub, M, Rovira, C, Jimenez-Barbero, J, Davies, G.J, Williams, S.J. | 登録日 | 2018-03-06 | 公開日 | 2019-09-18 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.08 Å) | 主引用文献 | An Epoxide Intermediate in Glycosidase Catalysis. Acs Cent.Sci., 6, 2020
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4RI7
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![BU of 4ri7 by Molmil](/molmil-images/mine/4ri7) | Crystal structure of poplar glutathione transferase F1 mutant SER 13 CYS | 分子名称: | GLUTATHIONE, Phi class glutathione transferase GSTF1 | 著者 | Pegeot, H, Mathiot, S, Didierjean, C, Rouhier, N. | 登録日 | 2014-10-05 | 公開日 | 2015-01-21 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.798 Å) | 主引用文献 | The poplar Phi class glutathione transferase: expression, activity and structure of GSTF1. Front Plant Sci, 5, 2014
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4RI6
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![BU of 4ri6 by Molmil](/molmil-images/mine/4ri6) | Crystal structure of poplar glutathione transferase F1 | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLUTATHIONE, Phi class glutathione transferase GSTF1 | 著者 | Pegeot, H, Koh, C.S, Didierjean, C, Rouhier, N. | 登録日 | 2014-10-05 | 公開日 | 2015-01-21 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.523 Å) | 主引用文献 | The poplar Phi class glutathione transferase: expression, activity and structure of GSTF1. Front Plant Sci, 5, 2014
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7Q96
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![BU of 7q96 by Molmil](/molmil-images/mine/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
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![BU of 7qh4 by Molmil](/molmil-images/mine/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 | 2022-03-30 | 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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7Q6Q
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![BU of 7q6q by Molmil](/molmil-images/mine/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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6N3U
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![BU of 6n3u by Molmil](/molmil-images/mine/6n3u) | |
7Q6S
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![BU of 7q6s by Molmil](/molmil-images/mine/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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7QGH
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![BU of 7qgh by Molmil](/molmil-images/mine/7qgh) | Structure of the E. coli disome - collided 70S ribosome | 分子名称: | 16S rRNA, 23S rRNA, 30S ribosomal protein S1, ... | 著者 | Kratzat, H, Buschauer, R, Berninghausen, O, Beckmann, R. | 登録日 | 2021-12-08 | 公開日 | 2022-03-16 | 最終更新日 | 2022-03-30 | 実験手法 | ELECTRON MICROSCOPY (4.48 Å) | 主引用文献 | Ribosome collisions induce mRNA cleavage and ribosome rescue in bacteria. Nature, 603, 2022
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