6SLM
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![BU of 6slm by Molmil](/molmil-images/mine/6slm) | Crystal structure of full-length HPV31 E6 oncoprotein in complex with LXXLL peptide of ubiquitin ligase E6AP | 分子名称: | GLYCEROL, Maltose/maltodextrin-binding periplasmic protein,Protein E6,Ubiquitin-protein ligase E3A, ZINC ION, ... | 著者 | Conrady, M, Gogl, G, Cousido-Siah, A, Mitschler, A, Trave, G, Simon, C. | 登録日 | 2019-08-20 | 公開日 | 2020-09-09 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Structure of High-Risk Papillomavirus 31 E6 Oncogenic Protein and Characterization of E6/E6AP/p53 Complex Formation. J.Virol., 95, 2020
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4UYH
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![BU of 4uyh by Molmil](/molmil-images/mine/4uyh) | N-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH 1-((2R,4S)-2-methyl-4-(phenylamino)-6-(4-(piperidin-1-ylmethyl)phenyl)-3,4-dihydroquinolin-1(2H)-yl)ethanone | 分子名称: | 1-[(2S,4R)-2-methyl-4-(phenylamino)-6-[4-(piperidin-1-ylmethyl)phenyl]-3,4-dihydroquinolin-1(2H)-yl]ethanone, BROMODOMAIN-CONTAINING PROTEIN 2, DIMETHYL SULFOXIDE, ... | 著者 | Chung, C, Bamborough, P, Gosmini, R. | 登録日 | 2014-08-31 | 公開日 | 2014-10-08 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | 主引用文献 | The Discovery of I-Bet726 (Gsk1324726A), a Potent Tetrahydroquinoline Apoa1 Up-Regulator and Selective Bet Bromodomain Inhibitor. J.Med.Chem., 57, 2014
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4UYG
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![BU of 4uyg by Molmil](/molmil-images/mine/4uyg) | C-Terminal bromodomain of Human BRD2 with I-BET726 (GSK1324726A) | 分子名称: | 4-[(2S,4R)-1-acetyl-4-[(4-chlorophenyl)amino]-2-methyl-1,2,3,4-tetrahydroquinolin-6-yl]benzoic acid, BROMODOMAIN-CONTAINING PROTEIN 2, SULFATE ION | 著者 | Chung, C, Bamborough, P, Gosmini, R. | 登録日 | 2014-08-31 | 公開日 | 2014-10-08 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | The Discovery of I-Bet726 (Gsk1324726A), a Potent Tetrahydroquinoline Apoa1 Up-Regulator and Selective Bet Bromodomain Inhibitor. J.Med.Chem., 57, 2014
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4UYF
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![BU of 4uyf by Molmil](/molmil-images/mine/4uyf) | N-Terminal bromodomain of Human BRD2 with I-BET726 (GSK1324726A) | 分子名称: | 1,2-ETHANEDIOL, 4-[(2S,4R)-1-acetyl-4-[(4-chlorophenyl)amino]-2-methyl-1,2,3,4-tetrahydroquinolin-6-yl]benzoic acid, BROMODOMAIN-CONTAINING PROTEIN 2, ... | 著者 | Chung, C, Bamborough, P, Gosmini, R. | 登録日 | 2014-08-31 | 公開日 | 2014-10-08 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | The Discovery of I-Bet726 (Gsk1324726A), a Potent Tetrahydroquinoline Apoa1 Up-Regulator and Selective Bet Bromodomain Inhibitor. J.Med.Chem., 57, 2014
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7Y43
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![BU of 7y43 by Molmil](/molmil-images/mine/7y43) | |
8H7A
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![BU of 8h7a by Molmil](/molmil-images/mine/8h7a) | |
2KFS
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![BU of 2kfs by Molmil](/molmil-images/mine/2kfs) | |
6LUI
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![BU of 6lui by Molmil](/molmil-images/mine/6lui) | Crystal structure of the SAMD1 WH domain and DNA complex | 分子名称: | Atherin, DNA (5'-D(*AP*CP*CP*TP*GP*CP*GP*CP*AP*CP*CP*AP*T)-3'), DNA (5'-D(*AP*TP*GP*GP*TP*GP*CP*GP*CP*AP*GP*GP*T)-3') | 著者 | Zhou, Y, Cao, Y, Wang, Z. | 登録日 | 2020-01-29 | 公開日 | 2021-02-03 | 最終更新日 | 2021-07-07 | 実験手法 | X-RAY DIFFRACTION (1.781 Å) | 主引用文献 | The SAM domain-containing protein 1 (SAMD1) acts as a repressive chromatin regulator at unmethylated CpG islands. Sci Adv, 7, 2021
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6LUJ
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6LUK
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![BU of 6luk by Molmil](/molmil-images/mine/6luk) | |
6YUH
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![BU of 6yuh by Molmil](/molmil-images/mine/6yuh) | Crystal structure of SMYD3 with diperodon R enantiomer bound to allosteric site | 分子名称: | Diperodon, GLYCEROL, Histone-lysine N-methyltransferase SMYD3, ... | 著者 | Cederfelt, D, Talibov, V.O, Dobritzsch, D, Danielson, U.H. | 登録日 | 2020-04-27 | 公開日 | 2021-01-13 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | 主引用文献 | Discovery of an Allosteric Ligand Binding Site in SMYD3 Lysine Methyltransferase. Chembiochem, 22, 2021
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6TGD
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![BU of 6tgd by Molmil](/molmil-images/mine/6tgd) | Crystal structure of NDM-1 in complex with triazole-based inhibitor OP31 | 分子名称: | 4-[[(2~{S})-oxolan-2-yl]methyl]-3-pyridin-3-yl-1~{H}-1,2,4-triazole-5-thione, CALCIUM ION, Metallo-beta-lactamase NDM-1, ... | 著者 | Maso, L, Spirakis, F, Santucci, M, Simon, C, Docquier, J.D, Cruciani, G, Costi, M.P, Tondi, D, Cendron, L. | 登録日 | 2019-11-15 | 公開日 | 2020-08-26 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.33 Å) | 主引用文献 | Virtual screening identifies broad-spectrum beta-lactamase inhibitors with activity on clinically relevant serine- and metallo-carbapenemases. Sci Rep, 10, 2020
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6TGI
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![BU of 6tgi by Molmil](/molmil-images/mine/6tgi) | Crystal structure of VIM-2 in complex with triazole-based inhibitor OP24 | 分子名称: | 5-(4-chloranyl-1,5-dimethyl-pyrazol-3-yl)-4-ethyl-1,2,4-triazole-3-thiol, FORMIC ACID, Vim-1, ... | 著者 | Maso, L, Spirakis, F, Santucci, M, Simon, C, Docquier, J.D, Cruciani, G, Costi, M.P, Tondi, D, Cendron, L. | 登録日 | 2019-11-15 | 公開日 | 2020-10-14 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Virtual screening identifies broad-spectrum beta-lactamase inhibitors with activity on clinically relevant serine- and metallo-carbapenemases. Sci Rep, 10, 2020
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6ZRB
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![BU of 6zrb by Molmil](/molmil-images/mine/6zrb) | |
7BJ1
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![BU of 7bj1 by Molmil](/molmil-images/mine/7bj1) | Crystal structure of SMYD3 with diperodon S enantiomer bound to allosteric site | 分子名称: | ACETATE ION, Diperodon (S-enantiomer), GLYCEROL, ... | 著者 | Talibov, V.O, Cederfelt, D, Dobritzsch, D, Danielson, U.H. | 登録日 | 2021-01-13 | 公開日 | 2021-03-03 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.61 Å) | 主引用文献 | Discovery of an Allosteric Ligand Binding Site in SMYD3 Lysine Methyltransferase Chembiochem, 22, 2021
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6GEO
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![BU of 6geo by Molmil](/molmil-images/mine/6geo) | |
6GEQ
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![BU of 6geq by Molmil](/molmil-images/mine/6geq) | |
5O4L
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![BU of 5o4l by Molmil](/molmil-images/mine/5o4l) | Crystal structure of P450 CYP121 in complex with compound 6a. | 分子名称: | 1-[(4-fluorophenyl)methyl]-4-(3-imidazol-1-ylpropyl)piperazin-2-one, Mycocyclosin synthase, PROTOPORPHYRIN IX CONTAINING FE, ... | 著者 | Levy, C.W. | 登録日 | 2017-05-29 | 公開日 | 2018-03-28 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.64 Å) | 主引用文献 | Novel Aryl Substituted Pyrazoles as Small Molecule Inhibitors of Cytochrome P450 CYP121A1: Synthesis and Antimycobacterial Evaluation. J. Med. Chem., 60, 2017
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5O4K
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![BU of 5o4k by Molmil](/molmil-images/mine/5o4k) | Crystal structure of P450 CYP121 in complex with compound 6b. | 分子名称: | 1-[(4-chlorophenyl)methyl]-4-(3-imidazol-1-ylpropyl)piperazin-2-one, Mycocyclosin synthase, PROTOPORPHYRIN IX CONTAINING FE, ... | 著者 | Levy, C.W. | 登録日 | 2017-05-29 | 公開日 | 2018-03-28 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Novel Aryl Substituted Pyrazoles as Small Molecule Inhibitors of Cytochrome P450 CYP121A1: Synthesis and Antimycobacterial Evaluation. J. Med. Chem., 60, 2017
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5OP9
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![BU of 5op9 by Molmil](/molmil-images/mine/5op9) | The crystal structure of P450 CYP121 in complex with lead compound 7e | 分子名称: | 4-(imidazol-1-ylmethyl)-3-(4-methoxyphenyl)-1-phenyl-pyrazole, Mycocyclosin synthase, PROTOPORPHYRIN IX CONTAINING FE, ... | 著者 | Levy, C.W. | 登録日 | 2017-08-09 | 公開日 | 2018-03-28 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.455 Å) | 主引用文献 | Novel Aryl Substituted Pyrazoles as Small Molecule Inhibitors of Cytochrome P450 CYP121A1: Synthesis and Antimycobacterial Evaluation. J. Med. Chem., 60, 2017
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5OPA
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![BU of 5opa by Molmil](/molmil-images/mine/5opa) | The crystal structure of P450 CYP121 in complex with lead compound 7b | 分子名称: | 3-(4-fluorophenyl)-4-(imidazol-1-ylmethyl)-1-phenyl-pyrazole, DI(HYDROXYETHYL)ETHER, Mycocyclosin synthase, ... | 著者 | Levy, C.W. | 登録日 | 2017-08-09 | 公開日 | 2018-03-28 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.345 Å) | 主引用文献 | Novel Aryl Substituted Pyrazoles as Small Molecule Inhibitors of Cytochrome P450 CYP121A1: Synthesis and Antimycobacterial Evaluation. J. Med. Chem., 60, 2017
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9EOQ
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![BU of 9eoq by Molmil](/molmil-images/mine/9eoq) | Cryo-EM Structure of a 1033 Scaffold Base DNA Origami Nanostructure V4 and TBA | 分子名称: | DNA (42-MER), DNA (5'-D(P*AP*TP*AP*TP*AP*GP*CP*GP*TP*GP*GP*AP*AP*GP*T)-3') | 著者 | Ali, K, Georg, K, Volodymyr, M, Johanna, G, Maximilian, N.H, Lukas, K, Simone, C, Hendrik, D. | 登録日 | 2024-03-15 | 公開日 | 2024-04-24 | 最終更新日 | 2024-05-08 | 実験手法 | ELECTRON MICROSCOPY (7.5 Å) | 主引用文献 | Designing Rigid DNA Origami Templates for Molecular Visualization Using Cryo-EM. Nano Lett., 24, 2024
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7OCM
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![BU of 7ocm by Molmil](/molmil-images/mine/7ocm) | K1K1H6, a potent recombinant minimal hepatocyte growth factor/scatter factor mimic | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Hepatocyte growth factor alpha chain,Hepatocyte growth factor alpha chain | 著者 | de Jonge, H, de Nola, G, Gherardi, E. | 登録日 | 2021-04-27 | 公開日 | 2021-07-07 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Dimerization of kringle 1 domain from hepatocyte growth factor/scatter factor provides a potent MET receptor agonist. Life Sci Alliance, 5, 2022
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7OCL
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![BU of 7ocl by Molmil](/molmil-images/mine/7ocl) | |
7ZJE
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![BU of 7zje by Molmil](/molmil-images/mine/7zje) | C16-2 | 分子名称: | Transient receptor potential cation channel subfamily V member 2,Enhanced green fluorescent protein | 著者 | Zhang, L, Gourdon, P, Zygmunt, P.M. | 登録日 | 2022-04-10 | 公開日 | 2023-01-18 | 実験手法 | ELECTRON MICROSCOPY (3.12 Å) | 主引用文献 | Cannabinoid non-cannabidiol site modulation of TRPV2 structure and function. Nat Commun, 13, 2022
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