8SZX
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![BU of 8szx by Molmil](/molmil-images/mine/8szx) | |
7S4S
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![BU of 7s4s by Molmil](/molmil-images/mine/7s4s) | |
5IZ9
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![BU of 5iz9 by Molmil](/molmil-images/mine/5iz9) | Protein-protein interaction | Descriptor: | ACE-GLY-GLY-GLU-ALA-LEU-ALA-ASP-NH2, Adenomatous polyposis coli protein | Authors: | Zhao, Y, Jiang, H, Yang, X, Jiang, F, Song, K, Zhang, J. | Deposit date: | 2016-03-25 | Release date: | 2017-07-05 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.93 Å) | Cite: | Peptidomimetic inhibitors of APC-Asef interaction block colorectal cancer migration. Nat. Chem. Biol., 13, 2017
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7RWH
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![BU of 7rwh by Molmil](/molmil-images/mine/7rwh) | Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with SAM and allosteric inhibitor AGI-41998 | Descriptor: | 1,2-ETHANEDIOL, 8-(4-bromophenyl)-6-(4-methoxyphenyl)-2-[2,2,2-tris(fluoranyl)ethylamino]pyrido[4,3-d]pyrimidin-7-ol, CHLORIDE ION, ... | Authors: | Jin, L, Padyana, A.K. | Deposit date: | 2021-08-19 | Release date: | 2022-03-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.17 Å) | Cite: | Leveraging Structure-Based Drug Design to Identify Next-Generation MAT2A Inhibitors, Including Brain-Penetrant and Peripherally Efficacious Leads. J.Med.Chem., 65, 2022
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7RWG
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![BU of 7rwg by Molmil](/molmil-images/mine/7rwg) | "Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with SAM and allosteric inhibitor AGI-43192 | Descriptor: | (8R)-8-(4-chlorophenyl)-6-(2-methyl-2H-indazol-5-yl)-2-[(2,2,2-trifluoroethyl)amino]-5,8-dihydropyrido[4,3-d]pyrimidin-7(6H)-one, 1,2-ETHANEDIOL, CHLORIDE ION, ... | Authors: | Jin, L, Padyana, A.K. | Deposit date: | 2021-08-19 | Release date: | 2022-03-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (0.97 Å) | Cite: | Leveraging Structure-Based Drug Design to Identify Next-Generation MAT2A Inhibitors, Including Brain-Penetrant and Peripherally Efficacious Leads. J.Med.Chem., 65, 2022
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7RW7
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![BU of 7rw7 by Molmil](/molmil-images/mine/7rw7) | Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with SAM and allosteric inhibitor Compound 9 | Descriptor: | (3'R)-2-[(cyclopropylmethyl)amino]-6-(4-methoxyphenyl)-1'-[(1H-pyrazol-5-yl)methyl]-5,6-dihydro-7H-spiro[pyrido[4,3-d]pyrimidine-8,3'-pyrrolidin]-7-one, 1,2-ETHANEDIOL, CHLORIDE ION, ... | Authors: | Jin, L, Padyana, A.K. | Deposit date: | 2021-08-19 | Release date: | 2022-03-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.19 Å) | Cite: | Leveraging Structure-Based Drug Design to Identify Next-Generation MAT2A Inhibitors, Including Brain-Penetrant and Peripherally Efficacious Leads. J.Med.Chem., 65, 2022
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7RW5
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![BU of 7rw5 by Molmil](/molmil-images/mine/7rw5) | Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with SAM and allosteric inhibitor Compound 1 | Descriptor: | (3'R)-N-(cyclopropylmethyl)-1'-[(2-fluorophenyl)methyl]-4-methyl-5H,7H-spiro[pyrano[4,3-d]pyrimidine-8,3'-pyrrolidin]-2-amine, S-ADENOSYLMETHIONINE, S-adenosylmethionine synthase isoform type-2 | Authors: | Jin, L, Padyana, A.K. | Deposit date: | 2021-08-19 | Release date: | 2022-03-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Leveraging Structure-Based Drug Design to Identify Next-Generation MAT2A Inhibitors, Including Brain-Penetrant and Peripherally Efficacious Leads. J.Med.Chem., 65, 2022
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6LSA
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![BU of 6lsa by Molmil](/molmil-images/mine/6lsa) | Complex structure of bovine herpesvirus 1 glycoprotein D and bovine nectin-1 IgV | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein D, ... | Authors: | Yue, D, Chen, Z.J, Yang, F.L, Ye, F, Lin, S, Cheng, Y.W, Wang, J.C, Chen, Z.M, Lin, X, Yang, J, Chen, H, Zhang, Z.L, You, Y, Sun, H.L, Wen, A, Wang, L.L, Zheng, Y, Cao, Y, Li, Y.H, Lu, G.W. | Deposit date: | 2020-01-17 | Release date: | 2020-06-17 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.204 Å) | Cite: | Crystal structure of bovine herpesvirus 1 glycoprotein D bound to nectin-1 reveals the basis for its low-affinity binding to the receptor. Sci Adv, 6, 2020
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8KH8
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![BU of 8kh8 by Molmil](/molmil-images/mine/8kh8) | Crystal structure of FGFR4(V550L) kinase domain with 8z | Descriptor: | 1,2-ETHANEDIOL, 1-[4-[(1~{R})-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-5-cyano-pyridin-2-yl]-3-[6-methanoyl-5-[(4-methyl-2-oxidanylidene-piperazin-1-yl)methyl]-3-(2-morpholin-4-ylethoxy)pyridin-2-yl]urea, Fibroblast growth factor receptor 4, ... | Authors: | Lin, Q.M, Chen, X.J, Chen, Y.H. | Deposit date: | 2023-08-21 | Release date: | 2024-07-31 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Discovery of 6-Formylpyridyl Urea Derivatives as Potent Reversible-Covalent Fibroblast Growth Factor Receptor 4 Inhibitors with Improved Anti-Hepatocellular Carcinoma Activity. J.Med.Chem., 67, 2024
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6LS9
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![BU of 6ls9 by Molmil](/molmil-images/mine/6ls9) | Crystal structure of bovine herpesvirus 1 glycoprotein D | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein D | Authors: | Yue, D, Chen, Z.J, Yang, F.L, Ye, F, Lin, S, Cheng, Y.W, Wang, J.C, Chen, Z.M, Lin, X, Yang, J, Chen, H, Zhang, Z.L, You, Y, Sun, H.L, Wen, A, Wang, L.L, Zheng, Y, Cao, Y, Li, Y.H, Lu, G.W. | Deposit date: | 2020-01-17 | Release date: | 2020-06-17 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.503 Å) | Cite: | Crystal structure of bovine herpesvirus 1 glycoprotein D bound to nectin-1 reveals the basis for its low-affinity binding to the receptor. Sci Adv, 6, 2020
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8KH6
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![BU of 8kh6 by Molmil](/molmil-images/mine/8kh6) | Crystal structure of FGFR4 kinase domain with 8r | Descriptor: | 1,2-ETHANEDIOL, 1-[4-[(1~{R})-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-5-cyano-pyridin-2-yl]-3-[5-bromanyl-6-(hydroxymethyl)-3-methoxy-pyridin-2-yl]urea, Fibroblast growth factor receptor 4, ... | Authors: | Lin, Q.M, Chen, X.J, Chen, Y.H. | Deposit date: | 2023-08-21 | Release date: | 2024-07-31 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Discovery of 6-Formylpyridyl Urea Derivatives as Potent Reversible-Covalent Fibroblast Growth Factor Receptor 4 Inhibitors with Improved Anti-Hepatocellular Carcinoma Activity. J.Med.Chem., 67, 2024
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8KH7
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![BU of 8kh7 by Molmil](/molmil-images/mine/8kh7) | Crystal structure of FGFR4 kinase domain with 8zc | Descriptor: | 1,2-ETHANEDIOL, 1-[4-[(1~{R})-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-5-cyano-pyridin-2-yl]-3-[6-methanoyl-5-[(4-methyl-2-oxidanylidene-piperazin-1-yl)methyl]-3-(2-morpholin-4-ylethoxy)pyridin-2-yl]urea, Fibroblast growth factor receptor 4, ... | Authors: | Lin, Q.M, Chen, X.J, Chen, Y.H. | Deposit date: | 2023-08-21 | Release date: | 2024-07-31 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Discovery of 6-Formylpyridyl Urea Derivatives as Potent Reversible-Covalent Fibroblast Growth Factor Receptor 4 Inhibitors with Improved Anti-Hepatocellular Carcinoma Activity. J.Med.Chem., 67, 2024
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8KH9
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![BU of 8kh9 by Molmil](/molmil-images/mine/8kh9) | Crystal structure of FGFR4(V550M) kinase domain with 8z | Descriptor: | 1,2-ETHANEDIOL, 1-[4-[(1~{R})-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-5-cyano-pyridin-2-yl]-3-[6-methanoyl-5-[(4-methyl-2-oxidanylidene-piperazin-1-yl)methyl]-3-(2-morpholin-4-ylethoxy)pyridin-2-yl]urea, Fibroblast growth factor receptor 4, ... | Authors: | Lin, Q.M, Chen, X.J, Chen, Y.H. | Deposit date: | 2023-08-21 | Release date: | 2024-07-31 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Discovery of 6-Formylpyridyl Urea Derivatives as Potent Reversible-Covalent Fibroblast Growth Factor Receptor 4 Inhibitors with Improved Anti-Hepatocellular Carcinoma Activity. J.Med.Chem., 67, 2024
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6AKM
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![BU of 6akm by Molmil](/molmil-images/mine/6akm) | Crystal structure of SLMAP-SIKE1 complex | Descriptor: | GLYCEROL, Sarcolemmal membrane-associated protein, Suppressor of IKBKE 1 | Authors: | Ma, J, Chen, M, Zhou, Z.C. | Deposit date: | 2018-09-02 | Release date: | 2019-01-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Architecture, substructures, and dynamic assembly of STRIPAK complexes in Hippo signaling. Cell Discov, 5, 2019
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8I3U
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![BU of 8i3u by Molmil](/molmil-images/mine/8i3u) | Local CryoEM structure of the SARS-CoV-2 S6P in complex with 14B1 Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of Fab 14B1, Light chain of Fab 14B1, ... | Authors: | Li, Z, Yu, F, Cao, S. | Deposit date: | 2023-01-18 | Release date: | 2023-10-04 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Broadly neutralizing antibodies derived from the earliest COVID-19 convalescents protect mice from SARS-CoV-2 variants challenge. Signal Transduct Target Ther, 8, 2023
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8I3S
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![BU of 8i3s by Molmil](/molmil-images/mine/8i3s) | Local CryoEM structure of the SARS-CoV-2 S6P in complex with 7B3 Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain od Fab 7B3, Light chain of Fab 7B3, ... | Authors: | Li, Z, Yu, F, Cao, S, ZHao, H. | Deposit date: | 2023-01-17 | Release date: | 2023-10-04 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Broadly neutralizing antibodies derived from the earliest COVID-19 convalescents protect mice from SARS-CoV-2 variants challenge. Signal Transduct Target Ther, 8, 2023
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8EUF
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![BU of 8euf by Molmil](/molmil-images/mine/8euf) | Class2 of the INO80-Nucleosome complex | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin-related protein 5, Chromatin-remodeling ATPase INO80, ... | Authors: | Wu, H, Munoz, E, Gourdet, M, Narlikar, G, Cheng, Y.F. | Deposit date: | 2022-10-18 | Release date: | 2023-07-12 | Last modified: | 2023-08-16 | Method: | ELECTRON MICROSCOPY (3.41 Å) | Cite: | Reorientation of INO80 on hexasomes reveals basis for mechanistic versatility. Science, 381, 2023
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8EUJ
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![BU of 8euj by Molmil](/molmil-images/mine/8euj) | Class2 of the INO80-Nucleosome complex | Descriptor: | DNA (147-MER), Histone H2A type 1, Histone H2B 1.1, ... | Authors: | Wu, H, Munoz, E, Gourdet, M, Narlikar, G, Cheng, Y.F. | Deposit date: | 2022-10-18 | Release date: | 2023-07-12 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.36 Å) | Cite: | Reorientation of INO80 on hexasomes reveals basis for mechanistic versatility. Science, 381, 2023
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8ETT
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![BU of 8ett by Molmil](/molmil-images/mine/8ett) | Class1 of the INO80-Hexasome complex | Descriptor: | DNA (110-MER), Histone H2A type 1, Histone H2B 1.1, ... | Authors: | Wu, H, Munoz, E, Gourdet, M, Cheng, Y.F, Narlikar, G. | Deposit date: | 2022-10-17 | Release date: | 2023-07-12 | Last modified: | 2024-04-03 | Method: | ELECTRON MICROSCOPY (6.68 Å) | Cite: | Reorientation of INO80 on hexasomes reveals basis for mechanistic versatility. Science, 381, 2023
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8ETV
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![BU of 8etv by Molmil](/molmil-images/mine/8etv) | Class2 of the INO80-Hexasome complex | Descriptor: | DNA (110-MER), Histone H2A type 1, Histone H2B 1.1, ... | Authors: | Wu, H, Munoz, E, Gourdet, M, Cheng, Y.F, Narlikar, G. | Deposit date: | 2022-10-17 | Release date: | 2023-07-12 | Last modified: | 2024-04-03 | Method: | ELECTRON MICROSCOPY (3.16 Å) | Cite: | Reorientation of INO80 on hexasomes reveals basis for mechanistic versatility. Science, 381, 2023
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8EU2
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![BU of 8eu2 by Molmil](/molmil-images/mine/8eu2) | Class3 of the INO80-Hexasome complex | Descriptor: | DNA (110-MER), Histone H2A type 1, Histone H2B 1.1, ... | Authors: | Wu, H, Munoz, E, Gourdet, M, Cheng, Y.F, Narlikar, G. | Deposit date: | 2022-10-18 | Release date: | 2023-07-12 | Last modified: | 2024-04-03 | Method: | ELECTRON MICROSCOPY (2.93 Å) | Cite: | Reorientation of INO80 on hexasomes reveals basis for mechanistic versatility. Science, 381, 2023
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8EUE
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![BU of 8eue by Molmil](/molmil-images/mine/8eue) | Class1 of the INO80-Nucleosome complex | Descriptor: | DNA (147-MER), Histone H2A type 1, Histone H2B 1.1, ... | Authors: | Wu, H, Munoz, E, Gourdet, M, Narlikar, G, Cheng, Y.F. | Deposit date: | 2022-10-18 | Release date: | 2023-07-12 | Last modified: | 2024-04-03 | Method: | ELECTRON MICROSCOPY (3.48 Å) | Cite: | Reorientation of INO80 on hexasomes reveals basis for mechanistic versatility. Science, 381, 2023
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8EU9
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![BU of 8eu9 by Molmil](/molmil-images/mine/8eu9) | Class1 of the INO80-Nucleosome complex | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin-related protein 5, Chromatin-remodeling ATPase INO80, ... | Authors: | Wu, H, Munoz, E, Gourdet, M, Cheng, Y.F, Narlikar, G. | Deposit date: | 2022-10-18 | Release date: | 2023-07-12 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.48 Å) | Cite: | Reorientation of INO80 on hexasomes reveals basis for mechanistic versatility. Science, 381, 2023
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8ETU
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![BU of 8etu by Molmil](/molmil-images/mine/8etu) | Class2 of the INO80-Hexasome complex | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin-related protein 5, Chromatin-remodeling ATPase INO80, ... | Authors: | Wu, H, Munoz, E, Gourdet, M, Cheng, Y.F, Narlikar, G. | Deposit date: | 2022-10-17 | Release date: | 2023-07-19 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Reorientation of INO80 on hexasomes reveals basis for mechanistic versatility. Science, 381, 2023
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8ETW
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![BU of 8etw by Molmil](/molmil-images/mine/8etw) | Class3 of INO80-Hexasome complex | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin-related protein 5, Chromatin-remodeling ATPase INO80, ... | Authors: | Wu, H, Munoz, E, Gourdet, M, Narlikar, G, Cheng, Y.F. | Deposit date: | 2022-10-17 | Release date: | 2023-07-19 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (2.64 Å) | Cite: | Reorientation of INO80 on hexasomes reveals basis for mechanistic versatility. Science, 381, 2023
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