4F6O
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6M20
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![BU of 6m20 by Molmil](/molmil-images/mine/6m20) | Crystal structure of Plasmodium falciparum hexose transporter PfHT1 bound with glucose | 分子名称: | Hexose transporter 1, beta-D-glucopyranose, nonyl beta-D-glucopyranoside | 著者 | Jiang, X, Yuan, Y.Y, Zhang, S, Wang, N, Yan, C.Y, Yan, N. | 登録日 | 2020-02-26 | 公開日 | 2020-09-09 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Structural Basis for Blocking Sugar Uptake into the Malaria Parasite Plasmodium falciparum. Cell, 183, 2020
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6M2L
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![BU of 6m2l by Molmil](/molmil-images/mine/6m2l) | Crystal structure of Plasmodium falciparum hexose transporter PfHT1 bound with C3361 | 分子名称: | (2S,3R,4S,5R,6R)-6-(hydroxymethyl)-4-undec-10-enoxy-oxane-2,3,5-triol, Hexose transporter 1 | 著者 | Jiang, X, Yuan, Y.Y, Zhang, S, Wang, N, Yan, C.Y, Yan, N. | 登録日 | 2020-02-27 | 公開日 | 2020-09-09 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (3.7 Å) | 主引用文献 | Structural Basis for Blocking Sugar Uptake into the Malaria Parasite Plasmodium falciparum. Cell, 183, 2020
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6W7F
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![BU of 6w7f by Molmil](/molmil-images/mine/6w7f) | Structure of EED bound to inhibitor 5285 | 分子名称: | 8-(6-cyclopropylpyridin-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-1-(methylsulfonyl)imidazo[1,5-c]pyrimidin-5-amine, GLYCEROL, Polycomb protein EED | 著者 | Petrunak, E.M, Stuckey, J.A. | 登録日 | 2020-03-19 | 公開日 | 2020-07-08 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | EEDi-5285: An Exceptionally Potent, Efficacious, and Orally Active Small-Molecule Inhibitor of Embryonic Ectoderm Development. J.Med.Chem., 63, 2020
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6W7G
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![BU of 6w7g by Molmil](/molmil-images/mine/6w7g) | Structure of EED bound to inhibitor 1056 | 分子名称: | 8-(2,6-dimethylpyridin-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-1-(methylsulfonyl)imidazo[1,5-c]pyrimidin-5-amine, FORMIC ACID, Polycomb protein EED, ... | 著者 | Petrunak, E.M, Stuckey, J.A. | 登録日 | 2020-03-19 | 公開日 | 2020-07-08 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | EEDi-5285: An Exceptionally Potent, Efficacious, and Orally Active Small-Molecule Inhibitor of Embryonic Ectoderm Development. J.Med.Chem., 63, 2020
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7E4I
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![BU of 7e4i by Molmil](/molmil-images/mine/7e4i) | Cryo-EM structure of the yeast mitochondrial SAM-Tom40/Tom5/Tom6 complex at 3.0 angstrom | 分子名称: | Mitochondrial import receptor subunit TOM40, Mitochondrial import receptor subunit TOM5, Mitochondrial import receptor subunit TOM6, ... | 著者 | Wang, Q, Guan, Z.Y, Qi, L.B, Yan, C.Y, Yin, P. | 登録日 | 2021-02-13 | 公開日 | 2021-09-01 | 最終更新日 | 2024-06-05 | 実験手法 | ELECTRON MICROSCOPY (3.05 Å) | 主引用文献 | Structural insight into the SAM-mediated assembly of the mitochondrial TOM core complex. Science, 373, 2021
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7E4H
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![BU of 7e4h by Molmil](/molmil-images/mine/7e4h) | Cryo-EM structure of the yeast mitochondrial SAM-Tom40 complex at 3.0 angstrom | 分子名称: | Mitochondrial import receptor subunit TOM40, Sorting assembly machinery 35 kDa subunit, Sorting assembly machinery 37 kDa subunit, ... | 著者 | Wang, Q, Guan, Z.Y, Qi, L.B, Yan, C.Y, Yin, P. | 登録日 | 2021-02-13 | 公開日 | 2021-09-01 | 最終更新日 | 2024-06-05 | 実験手法 | ELECTRON MICROSCOPY (3.01 Å) | 主引用文献 | Structural insight into the SAM-mediated assembly of the mitochondrial TOM core complex. Science, 373, 2021
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2VSL
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6NZV
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![BU of 6nzv by Molmil](/molmil-images/mine/6nzv) | Crystal structure of HCV NS3/4A protease in complex with compound 12 | 分子名称: | (1aR,5S,8S,9S,10R,22aR)-5-tert-butyl-N-[(1R,2R)-2-(difluoromethyl)-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclopropyl]-9-ethyl-14-methoxy-3,6-dioxo-1,1a,3,4,5,6,9,10,18,19,20,21,22,22a-tetradecahydro-8H-7,10-methanocyclopropa[18,19][1,10,3,6]dioxadiazacyclononadecino[11,12-b]quinoxaline-8-carboxamide, HCV NS3/4A protease, SULFATE ION, ... | 著者 | Appleby, T.C, Taylor, J.G. | 登録日 | 2019-02-14 | 公開日 | 2019-07-10 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Discovery of the pan-genotypic hepatitis C virus NS3/4A protease inhibitor voxilaprevir (GS-9857): A component of Vosevi®. Bioorg.Med.Chem.Lett., 29, 2019
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6DL2
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![BU of 6dl2 by Molmil](/molmil-images/mine/6dl2) | BRD4 bromodomain 1 in complex with HYB157 | 分子名称: | 1,2-ETHANEDIOL, 3-benzyl-2,9-dimethyl-4H,6H-thieno[2,3-e][1,2,4]triazolo[3,4-c][1,4]oxazepine, Bromodomain-containing protein 4 | 著者 | Meagher, J.L, Stuckey, J.A. | 登録日 | 2018-05-31 | 公開日 | 2019-04-17 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | 主引用文献 | Discovery of QCA570 as an Exceptionally Potent and Efficacious Proteolysis Targeting Chimera (PROTAC) Degrader of the Bromodomain and Extra-Terminal (BET) Proteins Capable of Inducing Complete and Durable Tumor Regression. J. Med. Chem., 61, 2018
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6J67
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7YI3
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![BU of 7yi3 by Molmil](/molmil-images/mine/7yi3) | Cryo-EM structure of Rpd3S in close-state Rpd3S-NCP complex | 分子名称: | Chromatin modification-related protein EAF3, Histone deacetylase RPD3, Transcriptional regulatory protein RCO1, ... | 著者 | Li, H.T, Yan, C.Y, Guan, H.P, Wang, P. | 登録日 | 2022-07-14 | 公開日 | 2023-06-14 | 最終更新日 | 2023-08-30 | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | 主引用文献 | Diverse modes of H3K36me3-guided nucleosomal deacetylation by Rpd3S. Nature, 620, 2023
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7YI2
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![BU of 7yi2 by Molmil](/molmil-images/mine/7yi2) | Cryo-EM structure of Rpd3S in loose-state Rpd3S-NCP complex | 分子名称: | Chromatin modification-related protein EAF3, Histone deacetylase RPD3, Transcriptional regulatory protein RCO1, ... | 著者 | Li, H.T, Yan, C.Y, Guan, H.P, Wang, P. | 登録日 | 2022-07-14 | 公開日 | 2023-06-14 | 最終更新日 | 2023-08-30 | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | 主引用文献 | Diverse modes of H3K36me3-guided nucleosomal deacetylation by Rpd3S. Nature, 620, 2023
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7YI1
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![BU of 7yi1 by Molmil](/molmil-images/mine/7yi1) | Cryo-EM structure of Eaf3 CHD bound to H3K36me3 nucleosome | 分子名称: | Chromatin modification-related protein EAF3, Histone H2A, Histone H2B 1.1, ... | 著者 | Li, H.T, Yan, C.Y, Guan, H.P, Wang, P. | 登録日 | 2022-07-14 | 公開日 | 2023-06-14 | 最終更新日 | 2023-08-30 | 実験手法 | ELECTRON MICROSCOPY (2.8 Å) | 主引用文献 | Diverse modes of H3K36me3-guided nucleosomal deacetylation by Rpd3S. Nature, 620, 2023
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7YI0
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![BU of 7yi0 by Molmil](/molmil-images/mine/7yi0) | Cryo-EM structure of Rpd3S complex | 分子名称: | Chromatin modification-related protein EAF3, Histone deacetylase RPD3, Transcriptional regulatory protein RCO1, ... | 著者 | Li, H.T, Yan, C.Y, Guan, H.P, Wang, P. | 登録日 | 2022-07-14 | 公開日 | 2023-06-14 | 最終更新日 | 2023-08-30 | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | 主引用文献 | Diverse modes of H3K36me3-guided nucleosomal deacetylation by Rpd3S. Nature, 620, 2023
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7YI5
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![BU of 7yi5 by Molmil](/molmil-images/mine/7yi5) | Cryo-EM structure of Rpd3S complex bound to H3K36me3 nucleosome in loose state | 分子名称: | Chromatin modification-related protein EAF3, Histone H2A, Histone H2B 1.1, ... | 著者 | Li, H.T, Yan, C.Y, Guan, H.P, Wang, P. | 登録日 | 2022-07-14 | 公開日 | 2023-06-14 | 最終更新日 | 2023-08-30 | 実験手法 | ELECTRON MICROSCOPY (3.96 Å) | 主引用文献 | Diverse modes of H3K36me3-guided nucleosomal deacetylation by Rpd3S. Nature, 620, 2023
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7YI4
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![BU of 7yi4 by Molmil](/molmil-images/mine/7yi4) | Cryo-EM structure of Rpd3S complex bound to H3K36me3 nucleosome in close state | 分子名称: | Chromatin modification-related protein EAF3, Histone H2A, Histone H2B 1.1, ... | 著者 | Li, H.T, Yan, C.Y, Guan, H.P, Wang, P. | 登録日 | 2022-07-14 | 公開日 | 2023-06-14 | 最終更新日 | 2023-08-30 | 実験手法 | ELECTRON MICROSCOPY (3.96 Å) | 主引用文献 | Diverse modes of H3K36me3-guided nucleosomal deacetylation by Rpd3S. Nature, 620, 2023
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3GGQ
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![BU of 3ggq by Molmil](/molmil-images/mine/3ggq) | Dimerization of Hepatitis E Virus Capsid Protein E2s Domain is Essential for Virus-Host Interaction | 分子名称: | BROMIDE ION, Capsid protein | 著者 | Li, S.W, Tang, X.H, Seetharaman, J, Yang, C.Y, Gu, Y, Zhang, J, Du, H.L, Shih, J.W.K, Hew, C.L, Sivaraman, J, Xia, N.S. | 登録日 | 2009-03-02 | 公開日 | 2009-08-25 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Dimerization of hepatitis E virus capsid protein E2s domain is essential for virus-host interaction Plos Pathog., 5, 2009
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5UFI
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![BU of 5ufi by Molmil](/molmil-images/mine/5ufi) | DCN1 bound to DI-591 | 分子名称: | DCN1-like protein 1, N-[(1S)-1-cyclohexyl-2-{[3-(morpholin-4-yl)propanoyl]amino}ethyl]-N~2~-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alaninamide | 著者 | Stuckey, J. | 登録日 | 2017-01-04 | 公開日 | 2017-11-01 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.58 Å) | 主引用文献 | A potent small-molecule inhibitor of the DCN1-UBC12 interaction that selectively blocks cullin 3 neddylation. Nat Commun, 8, 2017
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5UOO
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![BU of 5uoo by Molmil](/molmil-images/mine/5uoo) | BRD4 bromodomain 2 in complex with CD161 | 分子名称: | 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-4-(quinolin-4-yl)-9H-pyrimido[4,5-b]indole, Bromodomain-containing protein 4 | 著者 | Meagher, J.L, Stuckey, J.A. | 登録日 | 2017-02-01 | 公開日 | 2017-05-17 | 最終更新日 | 2017-11-22 | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | 主引用文献 | Structure-Based Discovery of 4-(6-Methoxy-2-methyl-4-(quinolin-4-yl)-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethylisoxazole (CD161) as a Potent and Orally Bioavailable BET Bromodomain Inhibitor. J. Med. Chem., 60, 2017
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3SPF
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![BU of 3spf by Molmil](/molmil-images/mine/3spf) | Crystal Structure of Bcl-xL bound to BM501 | 分子名称: | 4-(4-chlorophenyl)-1-[(3S)-3,4-dihydroxybutyl]-N-[3-(4-methylpiperazin-1-yl)propyl]-3-phenyl-1H-pyrrole-2-carboxamide, Bcl-2-like protein 1, GLYCEROL | 著者 | Meagher, J.L, Stuckey, J.A. | 登録日 | 2011-07-01 | 公開日 | 2012-06-27 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Design of Bcl-2 and Bcl-xL Inhibitors with Subnanomolar Binding Affinities Based upon a New Scaffold. J.Med.Chem., 55, 2012
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6NZT
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3SP7
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![BU of 3sp7 by Molmil](/molmil-images/mine/3sp7) | Crystal Structure of Bcl-xL bound to BM903 | 分子名称: | 5-(4-chlorophenyl)-4-{3-[4-(4-{[(4-{[(2R)-4-(dimethylamino)-1-(phenylsulfanyl)butan-2-yl]amino}-3-nitrophenyl)sulfonyl]amino}phenyl)piperazin-1-yl]phenyl}-1,2-dimethyl-1H-pyrrole-3-carboxylic acid, ACETATE ION, Bcl-2-like protein 1, ... | 著者 | Meagher, J.L, Stuckey, J.A. | 登録日 | 2011-07-01 | 公開日 | 2012-07-04 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Structure-based design of a new class of potent Bcl-2/Bcl-xL inhibitors To be Published
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7MSD
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![BU of 7msd by Molmil](/molmil-images/mine/7msd) | Structure of EED bound to EEDi-6068 | 分子名称: | (9aP,12aR)-4-(2,2-difluoropropyl)-12-{[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]amino}-7-(trifluoromethyl)-4,5-dihydro-3H-2,4,8,11,12a-pentaazabenzo[4,5]cycloocta[1,2,3-cd]inden-3-one, FORMIC ACID, Polycomb protein EED | 著者 | Petrunak, E, Stuckey, J. | 登録日 | 2021-05-11 | 公開日 | 2021-10-20 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Discovery of EEDi-5273 as an Exceptionally Potent and Orally Efficacious EED Inhibitor Capable of Achieving Complete and Persistent Tumor Regression. J.Med.Chem., 64, 2021
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7MSB
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![BU of 7msb by Molmil](/molmil-images/mine/7msb) | Structure of EED bound to EEDi-4259 | 分子名称: | (9aM,12aS)-12-{[(5-fluoro-1-benzofuran-4-yl)methyl]amino}-7-(trifluoromethyl)-4,5-dihydro-3H-2,4,11,12a-tetraazabenzo[4,5]cycloocta[1,2,3-cd]inden-3-one, Polycomb protein EED | 著者 | Petrunak, E, Stuckey, J. | 登録日 | 2021-05-11 | 公開日 | 2021-10-20 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Discovery of EEDi-5273 as an Exceptionally Potent and Orally Efficacious EED Inhibitor Capable of Achieving Complete and Persistent Tumor Regression. J.Med.Chem., 64, 2021
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