4OPN
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8DQA
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8DQ6
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5E8Y
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3HFD
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7QJU
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![BU of 7qju by Molmil](/molmil-images/mine/7qju) | EED in complex with PRC2 allosteric inhibitor compound 7 | Descriptor: | CHLORIDE ION, Histone-lysine N-methyltransferase EZH2, N-(2,3-dihydro-1-benzofuran-4-ylmethyl)-8-[4-[(dimethylamino)methyl]phenyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine, ... | Authors: | Zhao, K, Zhao, M, Luo, X, Zhang, H, Scheufler, C. | Deposit date: | 2021-12-17 | Release date: | 2022-04-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery of the Clinical Candidate MAK683: An EED-Directed, Allosteric, and Selective PRC2 Inhibitor for the Treatment of Advanced Malignancies. J.Med.Chem., 65, 2022
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7QJG
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![BU of 7qjg by Molmil](/molmil-images/mine/7qjg) | EED in complex with PRC2 allosteric inhibitor compound 6 | Descriptor: | CHLORIDE ION, Histone-lysine N-methyltransferase EZH2, N-(2,3-dihydro-1-benzofuran-7-ylmethyl)-8-[4-[(dimethylamino)methyl]phenyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine, ... | Authors: | Zhao, K, Zhao, M, Luo, X, Zhang, H, Scheufler, C. | Deposit date: | 2021-12-16 | Release date: | 2022-04-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery of the Clinical Candidate MAK683: An EED-Directed, Allosteric, and Selective PRC2 Inhibitor for the Treatment of Advanced Malignancies. J.Med.Chem., 65, 2022
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7QK4
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![BU of 7qk4 by Molmil](/molmil-images/mine/7qk4) | EED in complex with PRC2 allosteric inhibitor compound 22 (MAK683) | Descriptor: | CHLORIDE ION, Histone-lysine N-methyltransferase EZH2, N-[(5-fluoranyl-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methylpyridin-3-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine, ... | Authors: | Zhao, K, Zhao, M, Luo, X, Zhang, H, Scheufler, C. | Deposit date: | 2021-12-17 | Release date: | 2022-04-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.602 Å) | Cite: | Discovery of the Clinical Candidate MAK683: An EED-Directed, Allosteric, and Selective PRC2 Inhibitor for the Treatment of Advanced Malignancies. J.Med.Chem., 65, 2022
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3V3E
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![BU of 3v3e by Molmil](/molmil-images/mine/3v3e) | Crystal Structure of the Human Nur77 Ligand-binding Domain | Descriptor: | GLYCEROL, Nuclear receptor subfamily 4 group A member 1 | Authors: | Zhang, Q, Shi, C, Yang, K, Chen, Y, Zhan, Y, Wu, Q, Lin, T. | Deposit date: | 2011-12-13 | Release date: | 2012-09-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | The orphan nuclear receptor Nur77 regulates LKB1 localization and activates AMPK Nat.Chem.Biol., 8, 2012
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3V3Q
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![BU of 3v3q by Molmil](/molmil-images/mine/3v3q) | Crystal Structure of Human Nur77 Ligand-binding Domain in Complex with Ethyl 2-[2,3,4 trimethoxy-6(1-octanoyl)phenyl]acetate | Descriptor: | GLYCEROL, Nuclear receptor subfamily 4 group A member 1, SODIUM ION, ... | Authors: | Zhang, Q, Shi, C, Yang, K, Chen, Y, Zhan, Y, Wu, Q, Lin, T. | Deposit date: | 2011-12-14 | Release date: | 2012-09-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | The orphan nuclear receptor Nur77 regulates LKB1 localization and activates AMPK Nat.Chem.Biol., 8, 2012
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7BQY
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![BU of 7bqy by Molmil](/molmil-images/mine/7bqy) | THE CRYSTAL STRUCTURE OF COVID-19 MAIN PROTEASE IN COMPLEX WITH AN INHIBITOR N3 at 1.7 angstrom | Descriptor: | 3C-like proteinase, N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)-4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE | Authors: | Liu, X, Zhang, B, Jin, Z, Yang, H, Rao, Z. | Deposit date: | 2020-03-26 | Release date: | 2020-04-22 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure of Mprofrom SARS-CoV-2 and discovery of its inhibitors. Nature, 582, 2020
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4WG5
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4R5Y
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![BU of 4r5y by Molmil](/molmil-images/mine/4r5y) | The complex structure of Braf V600E kinase domain with a novel Braf inhibitor | Descriptor: | 5-({(1R,1aS,6bR)-1-[5-(trifluoromethyl)-1H-benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl}oxy)-3,4-dihydro-1,8-naphthyridin-2(1H)-one, Serine/threonine-protein kinase B-raf | Authors: | Feng, Y, Peng, H, Zhang, Y, Liu, Y, Wei, M. | Deposit date: | 2014-08-22 | Release date: | 2016-02-24 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | BGB-283, a Novel RAF Kinase and EGFR Inhibitor, Displays Potent Antitumor Activity in BRAF-Mutated Colorectal Cancers. Mol.Cancer Ther., 14, 2015
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6M71
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![BU of 6m71 by Molmil](/molmil-images/mine/6m71) | SARS-Cov-2 RNA-dependent RNA polymerase in complex with cofactors | Descriptor: | Non-structural protein 7, Non-structural protein 8, RNA-directed RNA polymerase | Authors: | Gao, Y, Yan, L, Huang, Y, Liu, F, Cao, L, Wang, T, Wang, Q, Lou, Z, Rao, Z. | Deposit date: | 2020-03-16 | Release date: | 2020-04-01 | Last modified: | 2021-03-10 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Structure of the RNA-dependent RNA polymerase from COVID-19 virus. Science, 368, 2020
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4GEH
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6KYU
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4ZS6
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![BU of 4zs6 by Molmil](/molmil-images/mine/4zs6) | Receptor binding domain and Fab complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, S protein, fab Heavy Chain, ... | Authors: | Yu, X, Wang, X. | Deposit date: | 2015-05-13 | Release date: | 2015-09-02 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.166 Å) | Cite: | Structural basis for the neutralization of MERS-CoV by a human monoclonal antibody MERS-27 Sci Rep, 5, 2015
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4Y5T
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![BU of 4y5t by Molmil](/molmil-images/mine/4y5t) | Structure of FtmOx1 apo with metal Iron | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, COBALT (II) ION, FE (II) ION, ... | Authors: | Yan, W, Zhang, Y. | Deposit date: | 2015-02-12 | Release date: | 2015-11-04 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.949 Å) | Cite: | Endoperoxide formation by an alpha-ketoglutarate-dependent mononuclear non-haem iron enzyme. Nature, 527, 2015
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4Y5S
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![BU of 4y5s by Molmil](/molmil-images/mine/4y5s) | Structure of FtmOx1 with a-Ketoglutarate as co-substrate | Descriptor: | 2-OXOGLUTARIC ACID, COBALT (II) ION, FE (II) ION, ... | Authors: | Yan, W, Zhang, Y. | Deposit date: | 2015-02-12 | Release date: | 2015-11-04 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.543 Å) | Cite: | Endoperoxide formation by an alpha-ketoglutarate-dependent mononuclear non-haem iron enzyme. Nature, 527, 2015
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5H5Z
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![BU of 5h5z by Molmil](/molmil-images/mine/5h5z) | Crystal structure of bony fish MHC class I, peptide and B2m II | Descriptor: | Beta-2-microglobulin, MHC class I antigen, peptide chain | Authors: | Chen, Z, Zhang, N, Qi, J, Li, X, Chen, R, Wang, Z, Gao, F.G, Xia, C. | Deposit date: | 2016-11-10 | Release date: | 2017-11-22 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | The Mechanism of beta 2m Molecule-Induced Changes in the Peptide Presentation Profile in a Bony Fish. Iscience, 23, 2020
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4ONC
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![BU of 4onc by Molmil](/molmil-images/mine/4onc) | Crystal Structure of Mycobacterium Tuberculosis Decaprenyl Diphosphate Synthase in Complex with BPH-640 | Descriptor: | Decaprenyl diphosphate synthase, [hydroxy(1,1':3',1''-terphenyl-3-yl)methanediyl]bis(phosphonic acid) | Authors: | Feng, X, Chan, H.C, Ko, T.P. | Deposit date: | 2014-01-28 | Release date: | 2014-04-02 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Structure and Inhibition of Tuberculosinol Synthase and Decaprenyl Diphosphate Synthase from Mycobacterium tuberculosis J.Am.Chem.Soc., 136, 2014
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5HW4
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![BU of 5hw4 by Molmil](/molmil-images/mine/5hw4) | Crystal structure of Escherichia coli 16S rRNA methyltransferase RsmI in complex with AdoMet | Descriptor: | Ribosomal RNA small subunit methyltransferase I, S-ADENOSYLMETHIONINE | Authors: | Zhao, M, Zhang, H, Dong, Y, Gong, Y. | Deposit date: | 2016-01-28 | Release date: | 2016-10-19 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.211 Å) | Cite: | Structural Insights into the Methylation of C1402 in 16S rRNA by Methyltransferase RsmI Plos One, 11, 2016
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6LU7
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![BU of 6lu7 by Molmil](/molmil-images/mine/6lu7) | The crystal structure of COVID-19 main protease in complex with an inhibitor N3 | Descriptor: | 3C-like proteinase, N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)-4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE | Authors: | Liu, X, Zhang, B, Jin, Z, Yang, H, Rao, Z. | Deposit date: | 2020-01-26 | Release date: | 2020-02-05 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Structure of Mprofrom SARS-CoV-2 and discovery of its inhibitors. Nature, 582, 2020
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7YHK
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![BU of 7yhk by Molmil](/molmil-images/mine/7yhk) | Cryo-EM structure of the HA trimer of A/Beijing/262/1995(H1N1) in complex with neutralizing antibody 12H5 | Descriptor: | 12H5 heavy chain, 12H5 light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zheng, Q, Li, S, Li, T, Xue, W, Sun, H. | Deposit date: | 2022-07-13 | Release date: | 2022-08-17 | Last modified: | 2023-07-19 | Method: | ELECTRON MICROSCOPY (3.14 Å) | Cite: | Identification of a cross-neutralizing antibody that targets the receptor binding site of H1N1 and H5N1 influenza viruses. Nat Commun, 13, 2022
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5IMX
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