2YJX
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![BU of 2yjx by Molmil](/molmil-images/mine/2yjx) | Tricyclic series of Hsp90 inhibitors | 分子名称: | 1-(3H-imidazo[4,5-c]pyridin-2-yl)-3,4-dihydropyrido[2,1-a]isoindol-6(2H)-one, HEAT SHOCK PROTEIN HSP 90-ALPHA | 著者 | Dupuy, A, Vallee, F. | 登録日 | 2011-05-24 | 公開日 | 2011-10-19 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | 主引用文献 | Tricyclic Series of Heat Shock Protein 90 (Hsp90) Inhibitors Part I: Discovery of Tricyclic Imidazo[4,5-C]Pyridines as Potent Inhibitors of the Hsp90 Molecular Chaperone. J.Med.Chem., 54, 2011
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2YJW
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![BU of 2yjw by Molmil](/molmil-images/mine/2yjw) | Tricyclic series of Hsp90 inhibitors | 分子名称: | 4-(5-METHYL-4-PHENYLISOXAZOL-3-YL)BENZENE-1,3-DIOL, HEAT SHOCK PROTEIN HSP 90-ALPHA | 著者 | Dupuy, A, Vallee, F. | 登録日 | 2011-05-24 | 公開日 | 2011-10-19 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.61 Å) | 主引用文献 | Tricyclic Series of Heat Shock Protein 90 (Hsp90) Inhibitors Part I: Discovery of Tricyclic Imidazo[4,5-C]Pyridines as Potent Inhibitors of the Hsp90 Molecular Chaperone. J.Med.Chem., 54, 2011
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2YKJ
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![BU of 2ykj by Molmil](/molmil-images/mine/2ykj) | Tricyclic series of Hsp90 inhibitors | 分子名称: | 2-AMINO-N-[4-(3H-IMIDAZO[4,5-C]PYRIDIN-2-YL)--9H-FLUOREN-9-YL]-ISONICOTINAMIDE, HEAT SHOCK PROTEIN HSP 90-ALPHA | 著者 | Dupuy, A, Vallee, F. | 登録日 | 2011-05-27 | 公開日 | 2011-10-19 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.46 Å) | 主引用文献 | Tricyclic Series of Heat Shock Protein 90 (Hsp90) Inhibitors Part I: Discovery of Tricyclic Imidazo[4,5-C]Pyridines as Potent Inhibitors of the Hsp90 Molecular Chaperone. J.Med.Chem., 54, 2011
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2MMM
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![BU of 2mmm by Molmil](/molmil-images/mine/2mmm) | |
7P6N
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![BU of 7p6n by Molmil](/molmil-images/mine/7p6n) | ROCK2 IN COMPLEX WITH COMPOUND 12 | 分子名称: | Rho-associated protein kinase 2, ~{N}-[(1~{R})-1-(3-methoxyphenyl)ethyl]-4-pyridin-4-yl-piperidine-1-carboxamide | 著者 | Maillard, M.C. | 登録日 | 2021-07-16 | 公開日 | 2022-07-27 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Identification of a Potent, Selective, and Brain-Penetrant Rho Kinase Inhibitor and its Activity in a Mouse Model of Huntington's Disease. J.Med.Chem., 65, 2022
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8BG1
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![BU of 8bg1 by Molmil](/molmil-images/mine/8bg1) | Crystal structure of the SARS-CoV-2 S RBD in complex with pT1511 scFV | 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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Hansen, G, Ssebyatika, G.L, Krey, T. | 登録日 | 2022-10-27 | 公開日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.88 Å) | 主引用文献 | Activity of broadly neutralizing antibodies against sarbecoviruses: a trade-off between SARS-CoV-2 variants and distant coronaviruses? To be published
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8BEC
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![BU of 8bec by Molmil](/molmil-images/mine/8bec) | Crystal structure of the SARS-CoV-2 S RBD in complex with pT1375 scFV | 分子名称: | SULFATE ION, Spike protein S1, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Hansen, G, Ssebyatika, G.L, Krey, T. | 登録日 | 2022-10-21 | 公開日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Activity of broadly neutralizing antibodies against sarbecoviruses: a trade-off between SARS-CoV-2 variants and distant coronaviruses? To be published
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8BG2
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8OG5
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![BU of 8og5 by Molmil](/molmil-images/mine/8og5) | Crystal structure of human DCAF1 WD40 repeats (Q1250L) in complex with compound 1 | 分子名称: | 1,2-ETHANEDIOL, 5-(2-fluorophenyl)-2,3-dihydroimidazo[2,1-a]isoquinoline, ACETATE ION, ... | 著者 | Schroeder, M, Vulpetti, A, Renatus, M. | 登録日 | 2023-03-19 | 公開日 | 2023-06-14 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Discovery of New Binders for DCAF1, an Emerging Ligase Target in the Targeted Protein Degradation Field. Acs Med.Chem.Lett., 14, 2023
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8OG8
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![BU of 8og8 by Molmil](/molmil-images/mine/8og8) | Crystal structure of human DCAF1 WD40 repeats (Q1250L) in complex with compound 3 | 分子名称: | 1,2-ETHANEDIOL, 5-(2-methyl-1-phenyl-propan-2-yl)imidazo[2,1-a]isoquinoline, ACETATE ION, ... | 著者 | Schroeder, M, Vulpetti, A, Renatus, M. | 登録日 | 2023-03-19 | 公開日 | 2023-06-14 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (2.11 Å) | 主引用文献 | Discovery of New Binders for DCAF1, an Emerging Ligase Target in the Targeted Protein Degradation Field. Acs Med.Chem.Lett., 14, 2023
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8OG6
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![BU of 8og6 by Molmil](/molmil-images/mine/8og6) | Crystal structure of human DCAF1 WD40 repeats (Q1250L) in complex with compound 1 | 分子名称: | 5-(2-fluorophenyl)-2,3-dihydroimidazo[2,1-a]isoquinoline, ACETATE ION, DDB1- and CUL4-associated factor 1 | 著者 | Schroeder, M, Vulpetti, A, Renatus, M. | 登録日 | 2023-03-19 | 公開日 | 2023-06-14 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (2.245 Å) | 主引用文献 | Discovery of New Binders for DCAF1, an Emerging Ligase Target in the Targeted Protein Degradation Field. Acs Med.Chem.Lett., 14, 2023
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8OGC
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![BU of 8ogc by Molmil](/molmil-images/mine/8ogc) | Crystal structure of human DCAF1 WD40 repeats (Q1250L) in complex with compound 11 | 分子名称: | 1,2-ETHANEDIOL, 1-[4-[4-(2-azanylethylamino)-2-[1-(4-chlorophenyl)cyclopentyl]quinazolin-7-yl]piperazin-1-yl]ethanone, ACETATE ION, ... | 著者 | Schroeder, M, Vulpetti, A, Renatus, M. | 登録日 | 2023-03-19 | 公開日 | 2023-06-14 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | 主引用文献 | Discovery of New Binders for DCAF1, an Emerging Ligase Target in the Targeted Protein Degradation Field. Acs Med.Chem.Lett., 14, 2023
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8OG9
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![BU of 8og9 by Molmil](/molmil-images/mine/8og9) | Crystal structure of human DCAF1 WD40 repeats (Q1250L) in complex with compound 4 | 分子名称: | 5-[1-(4-chlorophenyl)cyclopropyl]imidazo[2,1-a]isoquinoline, DDB1- and CUL4-associated factor 1 | 著者 | Schroeder, M, Vulpetti, A, Renatus, M. | 登録日 | 2023-03-19 | 公開日 | 2023-06-14 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (2.945 Å) | 主引用文献 | Discovery of New Binders for DCAF1, an Emerging Ligase Target in the Targeted Protein Degradation Field. Acs Med.Chem.Lett., 14, 2023
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8OGB
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![BU of 8ogb by Molmil](/molmil-images/mine/8ogb) | Crystal structure of human DCAF1 WD40 repeats (Q1250L) in complex with compound 8 | 分子名称: | 1,2-ETHANEDIOL, DDB1- and CUL4-associated factor 1, DIMETHYL SULFOXIDE, ... | 著者 | Schroeder, M, Vulpetti, A, Renatus, M. | 登録日 | 2023-03-19 | 公開日 | 2023-06-14 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (2.27 Å) | 主引用文献 | Discovery of New Binders for DCAF1, an Emerging Ligase Target in the Targeted Protein Degradation Field. Acs Med.Chem.Lett., 14, 2023
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8OG7
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![BU of 8og7 by Molmil](/molmil-images/mine/8og7) | Crystal structure of human DCAF1 WD40 repeats (Q1250L) in complex with compound 2 | 分子名称: | (4~{R})-4-[3-(4-chloranylphenoxy)phenyl]pyrrolidin-2-imine, 1,2-ETHANEDIOL, ACETATE ION, ... | 著者 | Schroeder, M, Vulpetti, A, Renatus, M. | 登録日 | 2023-03-19 | 公開日 | 2023-06-14 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (2.64 Å) | 主引用文献 | Discovery of New Binders for DCAF1, an Emerging Ligase Target in the Targeted Protein Degradation Field. Acs Med.Chem.Lett., 14, 2023
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8OGA
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![BU of 8oga by Molmil](/molmil-images/mine/8oga) | Crystal structure of human DCAF1 WD40 repeats (Q1250L) in complex with compound 6 | 分子名称: | 1,2-ETHANEDIOL, 5-[1-(4-methoxyphenyl)cyclopropyl]-8-(4-methylpiperazin-1-yl)-2,3-dihydroimidazo[2,1-a]isoquinoline, DDB1- and CUL4-associated factor 1, ... | 著者 | Schroeder, M, Vulpetti, A, Renatus, M. | 登録日 | 2023-03-19 | 公開日 | 2023-06-14 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Discovery of New Binders for DCAF1, an Emerging Ligase Target in the Targeted Protein Degradation Field. Acs Med.Chem.Lett., 14, 2023
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7U9S
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![BU of 7u9s by Molmil](/molmil-images/mine/7u9s) | |
7U9U
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![BU of 7u9u by Molmil](/molmil-images/mine/7u9u) | Crystal structure of human D-amino acid oxidase in complex with inhibitor | 分子名称: | (3R)-3-(5,6-dioxo-1,4,5,6-tetrahydropyrazin-2-yl)-2,3-dihydro-1,4-benzoxathiine-7-carbonitrile, BENZOIC ACID, D-amino-acid oxidase, ... | 著者 | Skene, R.J, Bell, J.A. | 登録日 | 2022-03-11 | 公開日 | 2022-06-08 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.66 Å) | 主引用文献 | Discovery of a Novel Class of d-Amino Acid Oxidase Inhibitors Using the Schrodinger Computational Platform. J.Med.Chem., 65, 2022
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1BZW
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![BU of 1bzw by Molmil](/molmil-images/mine/1bzw) | PEANUT LECTIN COMPLEXED WITH C-LACTOSE | 分子名称: | CALCIUM ION, MANGANESE (II) ION, PROTEIN (PEANUT LECTIN), ... | 著者 | Ravishankar, R, Surolia, A, Vijayan, M, Lim, S, Kishi, Y. | 登録日 | 1998-11-05 | 公開日 | 1998-11-11 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Preferred Conformation of C-Lactose at the Free and Peanut Lectin Bound States J.Am.Chem.Soc., 120, 1998
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5GMI
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![BU of 5gmi by Molmil](/molmil-images/mine/5gmi) | Crystal Structure of GRASP55 GRASP domain in complex with JAM-C C-terminus | 分子名称: | Golgi reassembly-stacking protein 2, Junctional adhesion molecule C | 著者 | Shi, N, Shi, X, Morelli, X, Betzi, S, Huang, X. | 登録日 | 2016-07-14 | 公開日 | 2017-05-24 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.71 Å) | 主引用文献 | Genetic, structural, and chemical insights into the dual function of GRASP55 in germ cell Golgi remodeling and JAM-C polarized localization during spermatogenesis PLoS Genet., 13, 2017
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5GMJ
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![BU of 5gmj by Molmil](/molmil-images/mine/5gmj) | Crystal Structure of GRASP55 GRASP domain in complex with JAM-B C-terminus | 分子名称: | Golgi reassembly-stacking protein 2, Junctional adhesion molecule B | 著者 | Shi, N, Shi, X, Morelli, X, Betzi, S, Huang, X. | 登録日 | 2016-07-14 | 公開日 | 2017-05-24 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.986 Å) | 主引用文献 | Genetic, structural, and chemical insights into the dual function of GRASP55 in germ cell Golgi remodeling and JAM-C polarized localization during spermatogenesis PLoS Genet., 13, 2017
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8TBP
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![BU of 8tbp by Molmil](/molmil-images/mine/8tbp) | HLA-DRB1*15:01 in complex with smith antigen | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, HLA class II histocompatibility antigen, DR alpha chain, ... | 著者 | Ting, Y.T, Broury, A, Ooi, J. | 登録日 | 2023-06-29 | 公開日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (3.12621117 Å) | 主引用文献 | Smith-specific regulatory T cells halt the progression of lupus nephritis. Nat Commun, 15, 2024
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6N0P
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6N0Q
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![BU of 6n0q by Molmil](/molmil-images/mine/6n0q) | BRAF in complex with N-(4-methyl-3-(1-methyl-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-5-yl)phenyl)-3-(trifluoromethyl)benzamide. | 分子名称: | N-[4-methyl-3-(1-methyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)phenyl]-3-(trifluoromethyl)benzamide, Serine/threonine-protein kinase B-raf | 著者 | Mamo, M, Appleton, B.A. | 登録日 | 2018-11-07 | 公開日 | 2019-10-23 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.04 Å) | 主引用文献 | Design and Discovery ofN-(3-(2-(2-Hydroxyethoxy)-6-morpholinopyridin-4-yl)-4-methylphenyl)-2-(trifluoromethyl)isonicotinamide, a Selective, Efficacious, and Well-Tolerated RAF Inhibitor Targeting RAS Mutant Cancers: The Path to the Clinic. J.Med.Chem., 63, 2020
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4GDN
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![BU of 4gdn by Molmil](/molmil-images/mine/4gdn) | Structure of FmtA-like protein | 分子名称: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, Protein flp | 著者 | Cougnoux, A, Gibold, L, Delmas, J, Robin, F, Dalmasso, G, Bonnet, R. | 登録日 | 2012-08-01 | 公開日 | 2012-10-03 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | Analysis of Structure-Function Relationships in the Colibactin-Maturating Enzyme ClbP. J.Mol.Biol., 424, 2012
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