7T66
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![BU of 7t66 by Molmil](/molmil-images/mine/7t66) | Co-crystal structure of Chaetomium glucosidase with compound UV-4 | 分子名称: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Chaetomium alpha glucosidase, ... | 著者 | Karade, S.S, Mariuzza, R.A. | 登録日 | 2021-12-13 | 公開日 | 2022-05-04 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.19 Å) | 主引用文献 | Identification of Endoplasmic Reticulum alpha-Glucosidase I from a Thermophilic Fungus as a Platform for Structure-Guided Antiviral Drug Design. Biochemistry, 61, 2022
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6YAJ
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![BU of 6yaj by Molmil](/molmil-images/mine/6yaj) | Split gene transketolase, inactive beta4 tetramer | 分子名称: | 1,2-ETHANEDIOL, C-terminal chain of split transketolase from Carboxydothermus hydrogenoformans, DI(HYDROXYETHYL)ETHER, ... | 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 (1.9 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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7T68
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![BU of 7t68 by Molmil](/molmil-images/mine/7t68) | Co-crystal structure of Chaetomium glucosidase with compound UV-5 | 分子名称: | (2R,3R,4R,5S)-1-[6-(4-azido-2-nitroanilino)hexyl]-2-(hydroxymethyl)piperidine-3,4,5-triol, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Karade, S.S, Mariuzza, R.A. | 登録日 | 2021-12-13 | 公開日 | 2022-05-04 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.32 Å) | 主引用文献 | Identification of Endoplasmic Reticulum alpha-Glucosidase I from a Thermophilic Fungus as a Platform for Structure-Guided Antiviral Drug Design. Biochemistry, 61, 2022
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7AOR
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![BU of 7aor by Molmil](/molmil-images/mine/7aor) | mt-SSU from Trypanosoma cruzi in complex with mt-IF-3. | 分子名称: | 30S Ribosomal protein S17-like protein, AKAP7_NLS domain-containing protein, GUANOSINE-5'-TRIPHOSPHATE, ... | 著者 | Soufari, H, Waltz, F, Parrot, C, Bochler, A, Hashem, Y. | 登録日 | 2020-10-15 | 公開日 | 2021-04-28 | 最終更新日 | 2021-06-23 | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | 主引用文献 | Structure of the mature kinetoplastids mitoribosome and insights into its large subunit biogenesis. Proc.Natl.Acad.Sci.USA, 117, 2020
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7AVB
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7NT3
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![BU of 7nt3 by Molmil](/molmil-images/mine/7nt3) | Crystal structure of SARS CoV2 main protease in complex with FSCU015 | 分子名称: | 3C-like proteinase, DIMETHYL SULFOXIDE, ~{N}-[(1~{S})-2-(1,3-benzodioxol-5-ylmethylamino)-1-(3-hydroxyphenyl)-2-oxidanylidene-ethyl]-~{N}-propyl-prop-2-enamide | 著者 | Oerlemans, R, Eris, D, Wang, M, Sharpe, M, Domling, A, Groves, M.R. | 登録日 | 2021-03-08 | 公開日 | 2021-06-16 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.325 Å) | 主引用文献 | Combining High-Throughput Synthesis and High-Throughput Protein Crystallography for Accelerated Hit Identification. Angew.Chem.Int.Ed.Engl., 60, 2021
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7AVA
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5MBC
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![BU of 5mbc by Molmil](/molmil-images/mine/5mbc) | Structure of a bacterial light-regulated adenylyl cylcase | 分子名称: | Beta subunit of photoactivated adenylyl cyclase, CHLORIDE ION, FLAVIN MONONUCLEOTIDE | 著者 | Lindner, R, Hartmann, E, Tarnawski, M, Winkler, A, Frey, D, Reinstein, J, Meinhart, A, Schlichting, I. | 登録日 | 2016-11-08 | 公開日 | 2017-04-05 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Photoactivation Mechanism of a Bacterial Light-Regulated Adenylyl Cyclase. J. Mol. Biol., 429, 2017
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7T6W
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![BU of 7t6w by Molmil](/molmil-images/mine/7t6w) | Crystal structure of Chaetomium Glucosidase I (apo) | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chaetomium alpha glucosidase, GLYCEROL, ... | 著者 | Karade, S.S, Mariuzza, R.A. | 登録日 | 2021-12-14 | 公開日 | 2022-05-04 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Identification of Endoplasmic Reticulum alpha-Glucosidase I from a Thermophilic Fungus as a Platform for Structure-Guided Antiviral Drug Design. Biochemistry, 61, 2022
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7PE4
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5MB9
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![BU of 5mb9 by Molmil](/molmil-images/mine/5mb9) | Crystal structure of the eukaryotic ribosome associated complex (RAC), a unique Hsp70/Hsp40 pair | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ... | 著者 | Gumiero, A, Weyer, F.A, Valentin Gese, G, Lapouge, K, Sinning, I. | 登録日 | 2016-11-07 | 公開日 | 2016-12-28 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | Structural insights into a unique Hsp70-Hsp40 interaction in the eukaryotic ribosome-associated complex. Nat. Struct. Mol. Biol., 24, 2017
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8FWJ
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![BU of 8fwj by Molmil](/molmil-images/mine/8fwj) | Structure of dodecameric KaiC-RS-S413E/S414E complexed with KaiB-RS solved by cryo-EM | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Circadian clock protein KaiB, ... | 著者 | Padua, R.A.P, Grant, T, Pitsawong, W, Hoemberger, M.S, Otten, R, Bradshaw, N, Grigorieff, N, Kern, D. | 登録日 | 2023-01-22 | 公開日 | 2023-03-22 | 最終更新日 | 2024-06-19 | 実験手法 | ELECTRON MICROSCOPY (2.7 Å) | 主引用文献 | From primordial clocks to circadian oscillators. Nature, 616, 2023
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8PND
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![BU of 8pnd by Molmil](/molmil-images/mine/8pnd) | The ES3 intermediate of hydroxymethylbilane synthase R167Q variant | 分子名称: | 1,2-ETHANEDIOL, 3-[4-(2-hydroxy-2-oxoethyl)-5-[[4-(2-hydroxy-2-oxoethyl)-5-[[4-(2-hydroxy-2-oxoethyl)-5-[[4-(2-hydroxy-2-oxoethyl)-5-[[4-(2-hydroxy-2-oxoethyl)-3-(3-hydroxy-3-oxopropyl)-5-methyl-1~{H}-pyrrol-2-yl]methyl]-3-(3-hydroxy-3-oxopropyl)-1~{H}-pyrrol-2-yl]methyl]-3-(3-hydroxy-3-oxopropyl)-1~{H}-pyrrol-2-yl]methyl]-3-(3-hydroxy-3-oxopropyl)-1~{H}-pyrrol-2-yl]methyl]-1~{H}-pyrrol-3-yl]propanoic acid, GLYCEROL, ... | 著者 | Saeter, M.C, Bustad, H.J, Laitaoja, M, Janis, J, Martinez, A, Aarsand, A.K, Kallio, J.P. | 登録日 | 2023-06-30 | 公開日 | 2023-11-01 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | One ring closer to a closure: the crystal structure of the ES 3 hydroxymethylbilane synthase intermediate. Febs J., 291, 2024
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7PVU
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![BU of 7pvu by Molmil](/molmil-images/mine/7pvu) | Crystal structure of p38alpha C162S in complex with CAS2094511-69-8, P 1 21 1 | 分子名称: | Mitogen-activated protein kinase 14, N-(2-cyclobutyl-1H-1,3-benzodiazol-5-yl)-2-fluorobenzene-1-sulfonamide | 著者 | Baginski, B, Pous, J, Gonzalez, L, Macias, M.J, Nebreda, A.R. | 登録日 | 2021-10-05 | 公開日 | 2023-05-17 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.154 Å) | 主引用文献 | Characterization of p38 alpha autophosphorylation inhibitors that target the non-canonical activation pathway. Nat Commun, 14, 2023
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8FPE
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![BU of 8fpe by Molmil](/molmil-images/mine/8fpe) | Crystal structure of pregnane X receptor ligand binding domain complexed with T0901317 analog T0-BP | 分子名称: | N-[([1,1'-biphenyl]-4-yl)methyl]-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]benzenesulfonamide, Nuclear receptor subfamily 1 group I member 2 | 著者 | Huber, A.D, Poudel, S, Seetharaman, J, Miller, D.J, Lin, W, Li, Y, Chen, T. | 登録日 | 2023-01-04 | 公開日 | 2023-03-15 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structure-guided approach to modulate small molecule binding to a promiscuous ligand-activated protein. Proc.Natl.Acad.Sci.USA, 120, 2023
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7T7E
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![BU of 7t7e by Molmil](/molmil-images/mine/7t7e) | MA-1-206-OXA-23 3 minute complex | 分子名称: | (2R,4S)-2-(1,3-dihydroxypropan-2-yl)-4-{[(3R,5R)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-3,4-dihydro-2H-pyrrole-5-carboxylic acid, Beta-lactamase OXA-23 | 著者 | Smith, C.A, Stewart, N.K, Vakulenko, S.B. | 登録日 | 2021-12-15 | 公開日 | 2022-05-18 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | C6 Hydroxymethyl-Substituted Carbapenem MA-1-206 Inhibits the Major Acinetobacter baumannii Carbapenemase OXA-23 by Impeding Deacylation. Mbio, 13, 2022
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7PKU
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![BU of 7pku by Molmil](/molmil-images/mine/7pku) | Structure of SARS-CoV-2 nucleoprotein in dynamic complex with its viral partner nsp3a | 分子名称: | 3C-like proteinase, Nucleoprotein | 著者 | Bessa, L.M, Guseva, S, Camacho-Zarco, A.R, Salvi, N, Blackledge, M. | 登録日 | 2021-08-26 | 公開日 | 2022-01-19 | 最終更新日 | 2024-06-19 | 実験手法 | SOLUTION NMR | 主引用文献 | The intrinsically disordered SARS-CoV-2 nucleoprotein in dynamic complex with its viral partner nsp3a. Sci Adv, 8, 2022
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8F8V
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![BU of 8f8v by Molmil](/molmil-images/mine/8f8v) | Crystal structure of Nb.X0 | 分子名称: | Nb.X0 | 著者 | Goldgur, Y, Ravetch, J, Gupta, A, Kao, K, Andi, B. | 登録日 | 2022-11-22 | 公開日 | 2023-03-29 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | 主引用文献 | Mechanism of glycoform specificity and in vivo protection by an anti-afucosylated IgG nanobody. Nat Commun, 14, 2023
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5MJ1
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![BU of 5mj1 by Molmil](/molmil-images/mine/5mj1) | Extracellular domain of human CD83 - rhombohedral crystal form | 分子名称: | CD83 antigen, DI(HYDROXYETHYL)ETHER | 著者 | Klingl, S, Egerer-Sieber, C, Schmid, B, Weiler, S, Muller, Y.A. | 登録日 | 2016-11-29 | 公開日 | 2017-03-29 | 最終更新日 | 2018-03-07 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Crystal Structure of the Extracellular Domain of the Human Dendritic Cell Surface Marker CD83. J. Mol. Biol., 429, 2017
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5MJA
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![BU of 5mja by Molmil](/molmil-images/mine/5mja) | Kinase domain of human EphB1 bound to a quinazoline-based inhibitor | 分子名称: | 2-chloranyl-~{N}-[4-[(2-chloranyl-5-oxidanyl-phenyl)amino]quinazolin-7-yl]ethanamide, Ephrin type-B receptor 1, SULFATE ION | 著者 | Kung, A, Schimpl, M, Chen, Y.-C, Overman, R.C, Zhang, C. | 登録日 | 2016-11-30 | 公開日 | 2017-05-17 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.14 Å) | 主引用文献 | A Chemical-Genetic Approach to Generate Selective Covalent Inhibitors of Protein Kinases. ACS Chem. Biol., 12, 2017
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8FLZ
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![BU of 8flz by Molmil](/molmil-images/mine/8flz) | HIV-1 gp120 complex with CJF-III-049-S | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp120, N~1~-{(1R,2R,3S)-2-(carbamimidamidomethyl)-3-[(3S)-3,4-dihydroxybutyl]-5-[(methylamino)methyl]-2,3-dihydro-1H-inden-1-yl}-N~2~-(4-chloro-3-fluorophenyl)ethanediamide | 著者 | Gong, Z, Hendrickson, W.A. | 登録日 | 2022-12-22 | 公開日 | 2023-04-05 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Indoline CD4-mimetic compounds mediate potent and broad HIV-1 inhibition and sensitization to antibody-dependent cellular cytotoxicity. Proc.Natl.Acad.Sci.USA, 120, 2023
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8FM5
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![BU of 8fm5 by Molmil](/molmil-images/mine/8fm5) | HIV-1 gp120 complex with DY-III-065 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3,3,3-trifluoropropyl (2R,3S)-2-(carbamimidamidomethyl)-3-[2-(4-chloro-3-fluoroanilino)(oxo)acetamido]-6-[(methylamino)methyl]-2,3-dihydro-1H-indole-1-carboxylate, Envelope glycoprotein gp120 | 著者 | Gong, Z, Hendrickson, W.A. | 登録日 | 2022-12-22 | 公開日 | 2023-04-05 | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | 主引用文献 | Indoline CD4-mimetic compounds mediate potent and broad HIV-1 inhibition and sensitization to antibody-dependent cellular cytotoxicity. Proc.Natl.Acad.Sci.USA, 120, 2023
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8FM7
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![BU of 8fm7 by Molmil](/molmil-images/mine/8fm7) | HIV-1 gp120 complex with CJF-III-192 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp120, benzyl (2R,3S)-2-(carbamimidamidomethyl)-3-[2-(4-chloro-3-fluoroanilino)(oxo)acetamido]-6-[(methylamino)methyl]-2,3-dihydro-1H-indole-1-carboxylate | 著者 | Gong, Z, Hendrickson, W.A. | 登録日 | 2022-12-22 | 公開日 | 2023-04-05 | 実験手法 | X-RAY DIFFRACTION (2.34 Å) | 主引用文献 | Indoline CD4-mimetic compounds mediate potent and broad HIV-1 inhibition and sensitization to antibody-dependent cellular cytotoxicity. Proc.Natl.Acad.Sci.USA, 120, 2023
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7T7O
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5MIK
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![BU of 5mik by Molmil](/molmil-images/mine/5mik) | X-ray structure of carboplatin-encapsulated horse spleen apoferritin (rotating anode data) | 分子名称: | CADMIUM ION, CHLORIDE ION, Ferritin light chain, ... | 著者 | Pontillo, N, Ferraro, G, Helliwell, J.R, Merlino, A. | 登録日 | 2016-11-28 | 公開日 | 2017-03-15 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | 主引用文献 | X-ray Structure of the Carboplatin-Loaded Apo-Ferritin Nanocage. ACS Med Chem Lett, 8, 2017
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