6D3Z
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![BU of 6d3z by Molmil](/molmil-images/mine/6d3z) | Protease SFTI complex | 分子名称: | Plasminogen, Trypsin inhibitor 1 | 著者 | Law, R.H.P, Wu, G. | 登録日 | 2018-04-17 | 公開日 | 2019-01-23 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Highly Potent and Selective Plasmin Inhibitors Based on the Sunflower Trypsin Inhibitor-1 Scaffold Attenuate Fibrinolysis in Plasma. J. Med. Chem., 62, 2019
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7WVR
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6D40
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6D3Y
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6D3X
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6VDA
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6VD8
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6VD9
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7B9B
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![BU of 7b9b by Molmil](/molmil-images/mine/7b9b) | Crystal structure of human 5' exonuclease Appollo APO form | 分子名称: | 5' exonuclease Apollo, NICKEL (II) ION | 著者 | Newman, J.A, Baddock, H.T, Mukhopadhyay, S.M.M, Burgess-Brown, N.A, von Delft, F, Arrowshmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | 登録日 | 2020-12-14 | 公開日 | 2021-01-20 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | A phosphate binding pocket is a key determinant of exo- versus endo-nucleolytic activity in the SNM1 nuclease family. Nucleic Acids Res., 49, 2021
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4O7K
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![BU of 4o7k by Molmil](/molmil-images/mine/4o7k) | Crystal structure of Oncogenic Suppression Activity Protein - A Plasmid Fertility Inhibition Factor | 分子名称: | CHLORIDE ION, ISOPROPYL ALCOHOL, PHOSPHATE ION, ... | 著者 | Maindola, P, Goyal, P, Arulandu, A. | 登録日 | 2013-12-25 | 公開日 | 2014-11-05 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (1.748 Å) | 主引用文献 | Multiple enzymatic activities of ParB/Srx superfamily mediate sexual conflict among conjugative plasmids Nat Commun, 5, 2014
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7B2X
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![BU of 7b2x by Molmil](/molmil-images/mine/7b2x) | Crystal structure of human 5' exonuclease Appollo H61Y variant | 分子名称: | 5' exonuclease Apollo, NICKEL (II) ION | 著者 | Newman, J.A, Baddock, H.T, Mukhopadhyay, S.M.M, Burgess-Brown, N.A, von Delft, F, Arrowshmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | 登録日 | 2020-11-28 | 公開日 | 2021-01-20 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | 主引用文献 | A phosphate binding pocket is a key determinant of exo- versus endo-nucleolytic activity in the SNM1 nuclease family. Nucleic Acids Res., 49, 2021
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4OVB
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![BU of 4ovb by Molmil](/molmil-images/mine/4ovb) | Crystal structure of Oncogenic Suppression Activity Protein - A Plasmid Fertility Inhibition Factor, Gold (I) Cyanide derivative | 分子名称: | GLYCEROL, GOLD (I) CYANIDE ION, PHOSPHATE ION, ... | 著者 | Maindola, P, Goyal, P, Arulandu, A. | 登録日 | 2014-02-21 | 公開日 | 2014-11-05 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.034 Å) | 主引用文献 | Multiple enzymatic activities of ParB/Srx superfamily mediate sexual conflict among conjugative plasmids Nat Commun, 5, 2014
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7MCF
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![BU of 7mcf by Molmil](/molmil-images/mine/7mcf) | CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH 2-{3-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-6-fluoro-5-[(S)-(3-fluoropyridin-2-yl)(oxan-4-yl)methyl]-5H-pyrido[3,2-b]indol-7-yl}propan-2-ol | 分子名称: | 2-{3-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-6-fluoro-5-[(S)-(3-fluoropyridin-2-yl)(oxan-4-yl)methyl]-5H-pyrido[3,2-b]indol-7-yl}propan-2-ol, Bromodomain-containing protein 4 | 著者 | Sheriff, S. | 登録日 | 2021-04-02 | 公開日 | 2021-05-26 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.19 Å) | 主引用文献 | Development of BET inhibitors as potential treatments for cancer: A search for structural diversity. Bioorg.Med.Chem.Lett., 44, 2021
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7MCE
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![BU of 7mce by Molmil](/molmil-images/mine/7mce) | CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH 2-{(7P)-7-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-8-fluoro-5-[(S)-(oxan-4-yl)(phenyl)methyl]-5H-pyrido[3,2-b]indol-3-yl}propan-2-ol | 分子名称: | 2-{(7P)-7-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-8-fluoro-5-[(S)-(oxan-4-yl)(phenyl)methyl]-5H-pyrido[3,2-b]indol-3-yl}propan-2-ol, Bromodomain-containing protein 4 | 著者 | Sheriff, S. | 登録日 | 2021-04-02 | 公開日 | 2021-09-29 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | 主引用文献 | Development of BET inhibitors as potential treatments for cancer: A new carboline chemotype. Bioorg.Med.Chem.Lett., 51, 2021
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7MRY
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![BU of 7mry by Molmil](/molmil-images/mine/7mry) | Norovirus T=3 GII.4 HOV VLP | 分子名称: | VP1 | 著者 | Salmen, W, Hu, L, Prasad, B. | 登録日 | 2021-05-10 | 公開日 | 2022-03-02 | 最終更新日 | 2024-05-29 | 実験手法 | ELECTRON MICROSCOPY (3.8 Å) | 主引用文献 | Atomic structure of the predominant GII.4 human norovirus capsid reveals novel stability and plasticity. Nat Commun, 13, 2022
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5LGE
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![BU of 5lge by Molmil](/molmil-images/mine/5lge) | Crystal Structure of human IDH1 mutant (R132H) in complex with NADP+ and an Inhibitor related to BAY 1436032 | 分子名称: | 1,2-ETHANEDIOL, 2-[(4-propan-2-ylphenyl)amino]-1-[(1~{S},5~{S})-3,3,5-trimethylcyclohexyl]benzimidazole-5-carboxylic acid, ACETATE ION, ... | 著者 | Hillig, R.C, Hars, U, Korndoerfer, I.P. | 登録日 | 2016-07-07 | 公開日 | 2017-02-08 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Pan-mutant IDH1 inhibitor BAY 1436032 for effective treatment of IDH1 mutant astrocytoma in vivo. Acta Neuropathol., 133, 2017
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5LZH
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![BU of 5lzh by Molmil](/molmil-images/mine/5lzh) | Cholera toxin classical B-pentamer in complex with inhibitor PC262 | 分子名称: | (2~{R},4~{S},5~{R},6~{R})-5-acetamido-2-[4-[3-[2-[(2~{S},3~{R},4~{R},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]ethylamino]-3-oxidanylidene-propyl]-1,2,3-triazol-1-yl]-4-oxidanyl-6-[(1~{R},2~{R})-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid, (4R)-2-METHYLPENTANE-2,4-DIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | 著者 | Heggelund, J.E, Martinsen, T, Krengel, U. | 登録日 | 2016-09-29 | 公開日 | 2017-05-31 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.13 Å) | 主引用文献 | Towards new cholera prophylactics and treatment: Crystal structures of bacterial enterotoxins in complex with GM1 mimics. Sci Rep, 7, 2017
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5LZI
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![BU of 5lzi by Molmil](/molmil-images/mine/5lzi) | Porcine heat-labile enterotoxin R13H in complex with inhibitor MM146 | 分子名称: | (2~{R},4~{S},5~{R},6~{R})-5-acetamido-2-[4-[(2~{R})-3-[2-[(2~{S},3~{R},4~{R},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]ethylamino]-3-oxidanylidene-2-(2-phenylethanoylamino)propyl]-1,2,3-triazol-1-yl]-4-oxidanyl-6-[(1~{R},2~{R})-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid, (2~{R},4~{S},5~{R},6~{R})-5-acetamido-2-[4-[(2~{S})-3-[2-[(2~{S},3~{R},4~{R},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]ethylamino]-3-oxidanylidene-2-(2-phenylethanoylamino)propyl]-1,2,3-triazol-1-yl]-4-oxidanyl-6-[(1~{R},2~{R})-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid, DI(HYDROXYETHYL)ETHER, ... | 著者 | Heggelund, J.E, Mackenzie, A, Krengel, U. | 登録日 | 2016-09-29 | 公開日 | 2017-05-31 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Towards new cholera prophylactics and treatment: Crystal structures of bacterial enterotoxins in complex with GM1 mimics. Sci Rep, 7, 2017
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5M6U
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![BU of 5m6u by Molmil](/molmil-images/mine/5m6u) | HUMAN PI3KDELTA IN COMPLEX WITH LASW1579 | 分子名称: | 4-azanyl-6-[[(1~{S})-1-(4-oxidanylidene-3-phenyl-pyrrolo[2,1-f][1,2,4]triazin-2-yl)ethyl]amino]pyrimidine-5-carbonitrile, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | 著者 | Segarra, V, Hernandez, B, Lozoya, E, Blaesse, M, Hoeppner, S, Jestel, A. | 登録日 | 2016-10-26 | 公開日 | 2017-02-01 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | 主引用文献 | Discovery of a Potent, Selective, and Orally Available PI3K delta Inhibitor for the Treatment of Inflammatory Diseases. ACS Med Chem Lett, 8, 2017
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5MHP
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![BU of 5mhp by Molmil](/molmil-images/mine/5mhp) | Novel Imidazo[1,2-a]pyridine Derivatives with Potent Autotaxin/ENPP2 Inhibitor Activity | 分子名称: | 2-[[2-ethyl-8-methyl-6-[4-[2-(3-oxidanylazetidin-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-methyl-amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | 著者 | Fleury, D, Mueller, I, Lamers, M, Triballeau, N, Mollat, P, Vercheval, L. | 登録日 | 2016-11-25 | 公開日 | 2017-08-30 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.43 Å) | 主引用文献 | Discovery of 2-[[2-Ethyl-6-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]-8-methylimidazo[1,2-a]pyridin-3-yl]methylamino]-4-(4-fluorophenyl)thiazole-5-carbonitrile (GLPG1690), a First-in-Class Autotaxin Inhibitor Undergoing Clinical Evaluation for the Treatment of Idiopathic Pulmonary Fibrosis. J. Med. Chem., 60, 2017
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5MXQ
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![BU of 5mxq by Molmil](/molmil-images/mine/5mxq) | Crystal Structure of the Acquired VIM-2 Metallo-beta-Lactamase in Complex with ANT-90 Inhibitor | 分子名称: | 3-(phenylsulfonylamino)pyridine-2-carboxylic acid, ACETATE ION, Beta-lactamase VIM-2, ... | 著者 | Docquier, J.D, De Luca, F, Benvenuti, M, Di Pisa, F, Pozzi, C, Mangani, S. | 登録日 | 2017-01-24 | 公開日 | 2018-02-28 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | SAR Studies Leading to the Identification of a Novel Series of Metallo-beta-lactamase Inhibitors for the Treatment of Carbapenem-Resistant Enterobacteriaceae Infections That Display Efficacy in an Animal Infection Model. Acs Infect Dis., 5, 2019
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6PM9
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![BU of 6pm9 by Molmil](/molmil-images/mine/6pm9) | Crystal structure of the core catalytic domain of human O-GlcNAcase bound to MK-8719 | 分子名称: | (3aR,5S,6S,7R,7aR)-5-(difluoromethyl)-2-(ethylamino)-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazole-6,7-diol, O-GlcNAcase TIM-barrel domain, O-GlcNAcase stalk domain | 著者 | Klein, D.J, Selnick, H.G, Duffy, J.L, McEachern, E.J. | 登録日 | 2019-07-01 | 公開日 | 2019-09-18 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.86 Å) | 主引用文献 | Discovery of MK-8719, a Potent O-GlcNAcase Inhibitor as a Potential Treatment for Tauopathies. J.Med.Chem., 62, 2019
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5MXR
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![BU of 5mxr by Molmil](/molmil-images/mine/5mxr) | Crystal Structure of the Acquired VIM-2 Metallo-beta-Lactamase in Complex with ANT-330 Inhibitor | 分子名称: | 5-(phenylsulfonylamino)-1,3-thiazole-4-carboxylic acid, ACETATE ION, Beta-lactamase VIM-2, ... | 著者 | Docquier, J.D, De Luca, F, Benvenuti, M, Di Pisa, F, Pozzi, C, Mangani, S. | 登録日 | 2017-01-24 | 公開日 | 2018-03-14 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | SAR Studies Leading to the Identification of a Novel Series of Metallo-beta-lactamase Inhibitors for the Treatment of Carbapenem-Resistant Enterobacteriaceae Infections That Display Efficacy in an Animal Infection Model. Acs Infect Dis., 5, 2019
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5NN8
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![BU of 5nn8 by Molmil](/molmil-images/mine/5nn8) | Crystal structure of human lysosomal acid-alpha-glucosidase, GAA, in complex with acarbose | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Roig-Zamboni, V, Cobucci-Ponzano, B, Iacono, R, Ferrara, M.C, Germany, S, Parenti, G, Bourne, Y, Moracci, M. | 登録日 | 2017-04-08 | 公開日 | 2017-10-25 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | Structure of human lysosomal acid alpha-glucosidase-a guide for the treatment of Pompe disease. Nat Commun, 8, 2017
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5NN6
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![BU of 5nn6 by Molmil](/molmil-images/mine/5nn6) | Crystal structure of human lysosomal acid-alpha-glucosidase, GAA, in complex with N-hydroxyethyl-1-deoxynojirimycin | 分子名称: | (2R,3R,4R,5S)-1-(2-hydroxyethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Roig-Zamboni, V, Cobucci-Ponzano, B, Iacono, R, Ferrara, M.C, Germany, S, Parenti, G, Bourne, Y, Moracci, M. | 登録日 | 2017-04-08 | 公開日 | 2017-10-25 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structure of human lysosomal acid alpha-glucosidase-a guide for the treatment of Pompe disease. Nat Commun, 8, 2017
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