8P78
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![BU of 8p78 by Molmil](/molmil-images/mine/8p78) | Cryo-EM structure of CAK in complex with inhibitor dinaciclib | 分子名称: | 3-[({3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl}amino)methyl]-1-hydroxypyridinium, CDK-activating kinase assembly factor MAT1, Cyclin-H, ... | 著者 | Cushing, V.I, Koh, A.F, Feng, J, Jurgaityte, K, Bahl, A.K, Ali, S, Kotecha, A, Greber, B.J. | 登録日 | 2023-05-30 | 公開日 | 2024-03-20 | 最終更新日 | 2024-03-27 | 実験手法 | ELECTRON MICROSCOPY (1.9 Å) | 主引用文献 | High-resolution cryo-EM of the human CDK-activating kinase for structure-based drug design. Nat Commun, 15, 2024
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8P79
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![BU of 8p79 by Molmil](/molmil-images/mine/8p79) | Cryo-EM structure of CAK with averaged inhibitor density | 分子名称: | CDK-activating kinase assembly factor MAT1, Cyclin-H, Cyclin-dependent kinase 7 | 著者 | Cushing, V.I, Koh, A.F, Feng, J, Jurgaityte, K, Bahl, A.K, Ali, S, Kotecha, A, Greber, B.J. | 登録日 | 2023-05-30 | 公開日 | 2024-03-20 | 最終更新日 | 2024-03-27 | 実験手法 | ELECTRON MICROSCOPY (1.7 Å) | 主引用文献 | High-resolution cryo-EM of the human CDK-activating kinase for structure-based drug design. Nat Commun, 15, 2024
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4XND
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6Y45
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![BU of 6y45 by Molmil](/molmil-images/mine/6y45) | Crystal Structure of the H33A variant of RsrR | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, FE2/S2 (INORGANIC) CLUSTER, ... | 著者 | Rohac, R, Volbeda, A, Fontecilla-Camps, J.C. | 登録日 | 2020-02-19 | 公開日 | 2020-03-04 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.68 Å) | 主引用文献 | Electron and Proton Transfers Modulate DNA Binding by the Transcription Regulator RsrR. J.Am.Chem.Soc., 142, 2020
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8TJ7
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![BU of 8tj7 by Molmil](/molmil-images/mine/8tj7) | CRYSTAL STRUCTURE OF THE A/Shandong/9/1993(H3N2) INFLUENZA VIRUS HEMAGGLUTININ WITH HUMAN RECEPTOR ANALOG 6'-SLNLN | 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, Hemagglutinin HA1 chain, ... | 著者 | Wu, N.C, Zhu, X, Wilson, I.A. | 登録日 | 2023-07-20 | 公開日 | 2024-02-14 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | 主引用文献 | Evolution of human H3N2 influenza virus receptor specificity has substantially expanded the receptor-binding domain site. Cell Host Microbe, 32, 2024
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8TJB
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![BU of 8tjb by Molmil](/molmil-images/mine/8tjb) | CRYSTAL STRUCTURE OF THE A/Texas/73/2017(H3N2) INFLUENZA VIRUS HEMAGGLUTININ WITH HUMAN RECEPTOR ANALOG 6'-SLNLN | 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, Hemagglutinin HA1 chain, ... | 著者 | Wu, N.C, Zhu, X, Wilson, I.A. | 登録日 | 2023-07-20 | 公開日 | 2024-02-14 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | Evolution of human H3N2 influenza virus receptor specificity has substantially expanded the receptor-binding domain site. Cell Host Microbe, 32, 2024
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6ME3
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![BU of 6me3 by Molmil](/molmil-images/mine/6me3) | XFEL crystal structure of human melatonin receptor MT1 in complex with 2-phenylmelatonin | 分子名称: | DI(HYDROXYETHYL)ETHER, N-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]acetamide, OLEIC ACID, ... | 著者 | Stauch, B, Johansson, L.C, McCorvy, J.D, Patel, N, Han, G.W, Gati, C, Batyuk, A, Ishchenko, A, Brehm, W, White, T.A, Michaelian, N, Madsen, C, Zhu, L, Grant, T.D, Grandner, J.M, Olsen, R.H.J, Tribo, A.R, Weierstall, U, Roth, B.L, Katritch, V, Liu, W, Cherezov, V. | 登録日 | 2018-09-05 | 公開日 | 2019-04-24 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Structural basis of ligand recognition at the human MT1melatonin receptor. Nature, 569, 2019
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5LM6
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![BU of 5lm6 by Molmil](/molmil-images/mine/5lm6) | VIM-2 metallo-beta-lactamase in complex with 2-(3-fluoro-4-hydroxyphenyl)-3-oxoisoindoline-4-carboxylic acid (compound 35) | 分子名称: | 2-(3-fluoranyl-4-oxidanyl-phenyl)-3-oxidanylidene-1~{H}-isoindole-4-carboxylic acid, FORMIC ACID, Metallo-beta-lactamase VIM-2, ... | 著者 | Li, G.-B, Brem, J, Someya, H, McDonough, M.A, Schofield, C.J. | 登録日 | 2016-07-29 | 公開日 | 2017-02-15 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.17 Å) | 主引用文献 | NMR-filtered virtual screening leads to non-metal chelating metallo-beta-lactamase inhibitors. Chem Sci, 8, 2017
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6Y9P
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![BU of 6y9p by Molmil](/molmil-images/mine/6y9p) | Crystal structure of Whirlin PDZ3_C-ter in complex with Harmonin a1 C-terminal PDZ binding motif peptide | 分子名称: | Harmonin a1, Whirlin | 著者 | Zhu, Y, Delhommel, F, Haouz, A, Caillet-Saguy, C, Vaney, M, Mechaly, A.E, Wolff, N. | 登録日 | 2020-03-10 | 公開日 | 2020-10-07 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (3.169 Å) | 主引用文献 | Deciphering the Unexpected Binding Capacity of the Third PDZ Domain of Whirlin to Various Cochlear Hair Cell Partners. J.Mol.Biol., 432, 2020
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8TJ9
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![BU of 8tj9 by Molmil](/molmil-images/mine/8tj9) | CRYSTAL STRUCTURE OF THE A/Michigan/15/2014(H3N2) INFLUENZA VIRUS HEMAGGLUTININ WITH HUMAN RECEPTOR ANALOG 6'-SLNLN | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ... | 著者 | Wu, N.C, Zhu, X, Wilson, I.A. | 登録日 | 2023-07-20 | 公開日 | 2024-02-14 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Evolution of human H3N2 influenza virus receptor specificity has substantially expanded the receptor-binding domain site. Cell Host Microbe, 32, 2024
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6OOS
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![BU of 6oos by Molmil](/molmil-images/mine/6oos) | HIV-1 Protease NL4-3 L90M Mutant in complex with darunavir | 分子名称: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, NL4-3 PROTEASE, SULFATE ION | 著者 | Henes, M, Kosovrasti, K, Lockbaum, G.J, Leidner, F, Nachum, G.S, Nalivaika, E.A, Bolon, D.N.A, KurtYilmaz, N, Schiffer, C.A, Whitfield, T.W. | 登録日 | 2019-04-23 | 公開日 | 2019-08-21 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Molecular Determinants of Epistasis in HIV-1 Protease: Elucidating the Interdependence of L89V and L90M Mutations in Resistance. Biochemistry, 58, 2019
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8EZS
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![BU of 8ezs by Molmil](/molmil-images/mine/8ezs) | Crystal structure of the HipS(Lp)-HipT(Lp) complex from Legionella pneumophila, Sel-met protein | 分子名称: | CHLORIDE ION, HipS(Lp), HipT(Lp) | 著者 | Stogios, P.J, Skarina, T, Michalska, K, Di Leo, R, Lin, J, Ensminger, A, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) | 登録日 | 2022-11-01 | 公開日 | 2023-09-27 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.47 Å) | 主引用文献 | Crystal structure of the HipS(Lp)-HipT(Lp) complex from Legionella pneumophila, Sel-met protein To Be Published
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7S83
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![BU of 7s83 by Molmil](/molmil-images/mine/7s83) | Crystal structure of SARS CoV-2 Spike Receptor Binding Domain in complex with shark neutralizing VNARs ShAb01 and ShAb02 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ShAb01 VNAR, ... | 著者 | Chen, W.-H, Hajduczki, A, Dooley, H.M, Joyce, M.G. | 登録日 | 2021-09-17 | 公開日 | 2022-11-23 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.52 Å) | 主引用文献 | Shark nanobodies with potent SARS-CoV-2 neutralizing activity and broad sarbecovirus reactivity. Nat Commun, 14, 2023
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8TJA
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![BU of 8tja by Molmil](/molmil-images/mine/8tja) | CRYSTAL STRUCTURE OF THE A/Ecuador/1374/2016(H3N2) INFLUENZA VIRUS HEMAGGLUTININ WITH HUMAN RECEPTOR ANALOG 6'-SLNLN | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ... | 著者 | Wu, N.C, Zhu, X, Wilson, I.A. | 登録日 | 2023-07-20 | 公開日 | 2024-02-14 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Evolution of human H3N2 influenza virus receptor specificity has substantially expanded the receptor-binding domain site. Cell Host Microbe, 32, 2024
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6YAK
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![BU of 6yak by Molmil](/molmil-images/mine/6yak) | Split gene transketolase, active alpha2beta2 heterotetramer | 分子名称: | (2S)-2-hydroxybutanedioic acid, 2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2H-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate, C-terminal component of the split chain transketolase, ... | 著者 | Isupov, M.N, Littlechild, J.A, James, P. | 登録日 | 2020-03-12 | 公開日 | 2020-11-25 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.34 Å) | 主引用文献 | A 'Split-Gene' Transketolase From the Hyper-Thermophilic Bacterium Carboxydothermus hydrogenoformans : Structure and Biochemical Characterization. Front Microbiol, 11, 2020
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6OP7
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![BU of 6op7 by Molmil](/molmil-images/mine/6op7) | Structure of oxidized VIM-20 | 分子名称: | ACETATE ION, Metallo-beta-lactamase VIM-20, ZINC ION | 著者 | Page, R.C, Shurina, B.A, Montgomery, J.S, Orischak, M.G, Nix, J.C. | 登録日 | 2019-04-24 | 公開日 | 2019-10-23 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.37 Å) | 主引用文献 | A Single Salt Bridge in VIM-20 Increases Protein Stability and Antibiotic Resistance under Low-Zinc Conditions. Mbio, 10, 2019
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6Y3B
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![BU of 6y3b by Molmil](/molmil-images/mine/6y3b) | Crystal Structure of Unlinked NS2B-NS3 Protease from Zika Virus in Complex with Inhibitor MI-2110 | 分子名称: | 1-[(8~{R},15~{S},18~{S})-15,18-bis(4-azanylbutyl)-4,7,14,17,20-pentakis(oxidanylidene)-3,6,13,16,19-pentazabicyclo[20.3.1]hexacosa-1(25),22(26),23-trien-8-yl]guanidine, GLYCEROL, Genome polyprotein, ... | 著者 | Huber, S, Heine, A, Steinmetzer, T. | 登録日 | 2020-02-18 | 公開日 | 2020-07-08 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | 主引用文献 | Structure-Based Macrocyclization of Substrate Analogue NS2B-NS3 Protease Inhibitors of Zika, West Nile and Dengue viruses. Chemmedchem, 15, 2020
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7N0J
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8ERN
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![BU of 8ern by Molmil](/molmil-images/mine/8ern) | Cyclin-free CDK2 in complex with Cpd21 | 分子名称: | Cyclin-dependent kinase 2, GLYCEROL, N,3-dimethyl-4-({7-[(2S)-2-methylpyrrolidine-1-carbonyl]quinazolin-2-yl}amino)benzene-1-sulfonamide | 著者 | Murray, J.M, Oh, A. | 登録日 | 2022-10-12 | 公開日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.64 Å) | 主引用文献 | Cyclin-free CDK2 in complex with Cpd21 To Be Published
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5LLK
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![BU of 5llk by Molmil](/molmil-images/mine/5llk) | Crystal structure of human alpha-dystroglycan | 分子名称: | 1,2-ETHANEDIOL, Dystroglycan | 著者 | Covaceuszach, S, Cassetta, A, Lamba, D, Brancaccio, A, Bozzi, M, Sciandra, F, Bigotti, M.G, Konarev, P.V. | 登録日 | 2016-07-27 | 公開日 | 2017-07-12 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Structural flexibility of human alpha-dystroglycan. FEBS Open Bio, 7, 2017
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5LRR
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![BU of 5lrr by Molmil](/molmil-images/mine/5lrr) | The Transcriptional Regulator PrfA from Listeria Monocytogenes in complex with glutathione | 分子名称: | GLUTATHIONE, HYDROGENPHOSPHATE ION, Listeriolysin positive regulatory factor A, ... | 著者 | Hall, M, Grundstrom, C, Begum, A, Lindberg, M, Sauer, U.H, Almqvist, F, Johansson, J, Sauer-Eriksson, A.E. | 登録日 | 2016-08-19 | 公開日 | 2016-12-07 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.171 Å) | 主引用文献 | Structural basis for glutathione-mediated activation of the virulence regulatory protein PrfA in Listeria. Proc. Natl. Acad. Sci. U.S.A., 113, 2016
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7PFM
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![BU of 7pfm by Molmil](/molmil-images/mine/7pfm) | A SARS-CoV2 major protease non-covalent ligand structure determined to 2.0 A resolution | 分子名称: | N-[(1R)-2-(tert-butylamino)-2-oxidanylidene-1-pyridin-3-yl-ethyl]-N-(4-tert-butylphenyl)-1H-imidazole-5-carboxamide, Replicase polyprotein 1ab | 著者 | Moche, M, Moodie, L, Strandback, E, Nyman, T, Sandstrom, A, Akaberi, D, Lennerstrand, J. | 登録日 | 2021-08-11 | 公開日 | 2022-08-24 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | The SARS-CoV2 major protease (Mpro) in complex with a non-covalent inhibitory ligand at 2 A resolution To Be Published
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7NNJ
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![BU of 7nnj by Molmil](/molmil-images/mine/7nnj) | Crystal Structure of NUDT4 (Diphosphoinositol polyphosphate phosphohydrolase 2) in complex with 4-O-Bn-1-PCP-InsP4 (AMR2105) | 分子名称: | 1,2-ETHANEDIOL, Diphosphoinositol polyphosphate phosphohydrolase 2, FORMIC ACID, ... | 著者 | Dubianok, Y, Arruda Bezerra, G, Raux, B, Diaz Saez, L, Riley, A.M, Potter, B.V.L, Huber, K.V.M, von Delft, F. | 登録日 | 2021-02-24 | 公開日 | 2022-03-23 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.755 Å) | 主引用文献 | Crystal Structure of NUDT4 (Diphosphoinositol polyphosphate phosphohydrolase 2) in complex with 4-O-Bn-1-PCP-InsP4 (AMR2105) To Be Published
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7PGD
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![BU of 7pgd by Molmil](/molmil-images/mine/7pgd) | PAF in 50 v/v % DMSO-water solution | 分子名称: | Pc24g00380 protein | 著者 | Czajlik, A, Batta, G. | 登録日 | 2021-08-13 | 公開日 | 2022-08-24 | 最終更新日 | 2023-02-15 | 実験手法 | SOLUTION NMR | 主引用文献 | DMSO-Induced Unfolding of the Antifungal Disulfide Protein PAF and Its Inactive Variant: A Combined NMR and DSC Study. Int J Mol Sci, 24, 2023
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6YGV
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![BU of 6ygv by Molmil](/molmil-images/mine/6ygv) | tRNA-Guanine Transglycosylase (TGT) in co-crystallized complex with (E)-N-ethyl-4-oxo-4-phenylbut-2-enamide | 分子名称: | GLYCEROL, Queuine tRNA-ribosyltransferase, ZINC ION, ... | 著者 | Nguyen, A, Heyder, L, Heine, A, Diederich, W, Klebe, G. | 登録日 | 2020-03-27 | 公開日 | 2020-04-08 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | 主引用文献 | Ligands disturb dimer contacts To Be Published
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