5NJQ
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![BU of 5njq by Molmil](/molmil-images/mine/5njq) | Mix-and-diffuse serial synchrotron crystallography: structure of N,N',N''-Triacetylchitotriose bound to Lysozyme with 1s time-delay, phased with 4ET8 | 分子名称: | 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, CHLORIDE ION, Lysozyme C, ... | 著者 | Oberthuer, D, Meents, A, Beyerlein, K.R, Chapman, H.N, Lieseke, J. | 登録日 | 2017-03-29 | 公開日 | 2017-10-18 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Mix-and-diffuse serial synchrotron crystallography. IUCrJ, 4, 2017
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3CB8
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7TH5
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![BU of 7th5 by Molmil](/molmil-images/mine/7th5) | Thermus thermophilus methylenetetrahydrofolate reductase | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, Methylenetetrahydrofolate reductase, SODIUM ION | 著者 | Yamada, K, Koutmos, M. | 登録日 | 2022-01-10 | 公開日 | 2023-01-18 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | 主引用文献 | 5-Formyltetrahydrofolate promotes conformational remodeling in a methylenetetrahydrofolate reductase active site and inhibits its activity. J.Biol.Chem., 299, 2022
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7A1B
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![BU of 7a1b by Molmil](/molmil-images/mine/7a1b) | Crystal structure of human protein kinase CK2alpha' (CSNK2A2 gene product) in complex with the ATP-competitive inhibitor 5,6-dibromo-1H-triazolo[4,5-b]pyridine | 分子名称: | 1,2-ETHANEDIOL, 5,6-dibromo-1H-triazolo[4,5-b]pyridine, CHLORIDE ION, ... | 著者 | Niefind, K, Lindenblatt, D, Toelzer, C, Bretner, M, Chojnacki, K, Wielechowska, M, Winska, P. | 登録日 | 2020-08-12 | 公開日 | 2020-12-09 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (1.287 Å) | 主引用文献 | Synthesis, biological properties and structural study of new halogenated azolo[4,5-b]pyridines as inhibitors of CK2 kinase. Bioorg.Chem., 106, 2021
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8DRR
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![BU of 8drr by Molmil](/molmil-images/mine/8drr) | Product structure of SARS-CoV-2 Mpro C145A mutant in complex with nsp4-nsp5 (C4) cut site sequence | 分子名称: | 3C-like proteinase nsp5, SODIUM ION | 著者 | Lee, J, Kenward, C, Worrall, L.J, Vuckovic, M, Paetzel, M, Strynadka, N.C.J. | 登録日 | 2022-07-21 | 公開日 | 2022-09-21 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | X-ray crystallographic characterization of the SARS-CoV-2 main protease polyprotein cleavage sites essential for viral processing and maturation. Nat Commun, 13, 2022
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5NNS
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![BU of 5nns by Molmil](/molmil-images/mine/5nns) | Crystal structure of HiLPMO9B | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACRYLIC ACID, COPPER (II) ION, ... | 著者 | Dimarogona, M, Sandgren, M. | 登録日 | 2017-04-10 | 公開日 | 2018-05-16 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structural and molecular dynamics studies of a C1-oxidizing lytic polysaccharide monooxygenase from Heterobasidion irregulare reveal amino acids important for substrate recognition. FEBS J., 285, 2018
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7A70
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![BU of 7a70 by Molmil](/molmil-images/mine/7a70) | HEW lysozyme in complex with Ti(OH)4 | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme, ... | 著者 | Calderone, V, Gigli, L, Ravera, E, Luchinat, C. | 登録日 | 2020-08-27 | 公開日 | 2021-01-13 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | On the Mechanism of Bioinspired Formation of Inorganic Oxides: Structural Evidence of the Electrostatic Nature of the Interaction between a Mononuclear Inorganic Precursor and Lysozyme. Biomolecules, 11, 2020
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7A76
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7T78
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6Z31
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5JZY
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![BU of 5jzy by Molmil](/molmil-images/mine/5jzy) | Thrombin in complex with (S)-1-((R)-2-amino-3-cyclohexylpropanoyl)-N-(4-carbamimidoylbenzyl)pyrrolidine-2-carboxamide | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-cyclohexyl-D-alanyl-N-[(4-carbamimidoylphenyl)methyl]-L-prolinamide, DIMETHYL SULFOXIDE, ... | 著者 | Sandner, A, Heine, A, Klebe, G. | 登録日 | 2016-05-17 | 公開日 | 2017-06-07 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.27 Å) | 主引用文献 | Strategies for Late-Stage Optimization: Profiling Thermodynamics by Preorganization and Salt Bridge Shielding. J.Med.Chem., 62, 2019
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6XPC
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3AZ7
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![BU of 3az7 by Molmil](/molmil-images/mine/3az7) | Crystal structure of Pt/T-HEWL | 分子名称: | Lysozyme C, PLATINUM (II) ION, SODIUM ION | 著者 | Abe, S, Tsujimoto, M, Yoneda, K, Ohba, M, Hikage, T, Takano, M, Kitagawa, S, Ueno, T. | 登録日 | 2011-05-20 | 公開日 | 2012-05-09 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Porous protein crystals as reaction vessels for controlling magnetic properties of nanoparticles Small, 8, 2012
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7AQ3
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![BU of 7aq3 by Molmil](/molmil-images/mine/7aq3) | Pseudomonas stutzeri nitrous oxide reductase mutant, H583D | 分子名称: | (MU-4-SULFIDO)-TETRA-NUCLEAR COPPER ION, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | 著者 | Zhang, L, Bill, E, Kroneck, P.M.H, Einsle, O. | 登録日 | 2020-10-20 | 公開日 | 2021-01-13 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.639 Å) | 主引用文献 | Histidine-Gated Proton-Coupled Electron Transfer to the Cu A Site of Nitrous Oxide Reductase. J.Am.Chem.Soc., 143, 2021
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7AQ4
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![BU of 7aq4 by Molmil](/molmil-images/mine/7aq4) | Pseudomonas stutzeri nitrous oxide reductase mutant, H583E | 分子名称: | (MU-4-SULFIDO)-TETRA-NUCLEAR COPPER ION, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | 著者 | Zhang, L, Bill, E, Kroneck, P.M.H, Einsle, O. | 登録日 | 2020-10-20 | 公開日 | 2021-01-13 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.708 Å) | 主引用文献 | Histidine-Gated Proton-Coupled Electron Transfer to the Cu A Site of Nitrous Oxide Reductase. J.Am.Chem.Soc., 143, 2021
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8DS2
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![BU of 8ds2 by Molmil](/molmil-images/mine/8ds2) | Structure of SARS-CoV-2 Mpro in complex with the nsp13-nsp14 (C13) cut site sequence (form 2) | 分子名称: | 3C-like proteinase nsp5, GLYCEROL, SODIUM ION | 著者 | Lee, J, Kenward, C, Worrall, L.J, Vuckovic, M, Paetzel, M, Strynadka, N.C.J. | 登録日 | 2022-07-21 | 公開日 | 2022-09-28 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | X-ray crystallographic characterization of the SARS-CoV-2 main protease polyprotein cleavage sites essential for viral processing and maturation. Nat Commun, 13, 2022
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6XQP
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![BU of 6xqp by Molmil](/molmil-images/mine/6xqp) | Structure of human D462-E4 TCR in complex with human MR1-5-OP-RU | 分子名称: | 1-deoxy-1-({2,6-dioxo-5-[(E)-propylideneamino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol, BROMIDE ION, Beta-2-microglobulin, ... | 著者 | Awad, W, Rossjohn, J. | 登録日 | 2020-07-10 | 公開日 | 2020-08-26 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Atypical TRAV1-2 - T cell receptor recognition of the antigen-presenting molecule MR1. J.Biol.Chem., 295, 2020
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8DS1
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![BU of 8ds1 by Molmil](/molmil-images/mine/8ds1) | Structure of SARS-CoV-2 Mpro in complex with nsp12-nsp13 (C12) cut site sequence | 分子名称: | 3C-like proteinase nsp5, DI(HYDROXYETHYL)ETHER, SODIUM ION | 著者 | Lee, J, Kenward, C, Worrall, L.J, Vuckovic, M, Paetzel, M, Strynadka, N.C.J. | 登録日 | 2022-07-21 | 公開日 | 2022-09-28 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.19 Å) | 主引用文献 | X-ray crystallographic characterization of the SARS-CoV-2 main protease polyprotein cleavage sites essential for viral processing and maturation. Nat Commun, 13, 2022
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3B9G
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![BU of 3b9g by Molmil](/molmil-images/mine/3b9g) | Crystal structure of loop deletion mutant of Trypanosoma vivax nucleoside hydrolase (3GTvNH) in complex with ImmH | 分子名称: | 1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN-9-YL)-D-RIBITOL, CALCIUM ION, IAG-nucleoside hydrolase, ... | 著者 | Vandemeulebroucke, A, De Vos, S, Van Holsbeke, E, Steyaert, J, Versees, W. | 登録日 | 2007-11-05 | 公開日 | 2008-04-22 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | A Flexible Loop as a Functional Element in the Catalytic Mechanism of Nucleoside Hydrolase from Trypanosoma vivax. J.Biol.Chem., 283, 2008
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5KD8
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7AEW
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8DOP
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7TGR
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![BU of 7tgr by Molmil](/molmil-images/mine/7tgr) | Structure of SARS-CoV-2 main protease in complex with GC376 | 分子名称: | (1R,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 1,2-ETHANEDIOL, ... | 著者 | Esler, M.A, Shi, K, Aihara, H, Harris, R.S. | 登録日 | 2022-01-09 | 公開日 | 2022-05-04 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.68 Å) | 主引用文献 | Gain-of-Signal Assays for Probing Inhibition of SARS-CoV-2 M pro /3CL pro in Living Cells. Mbio, 13, 2022
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7TIZ
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![BU of 7tiz by Molmil](/molmil-images/mine/7tiz) | Crystal structure of SARS-CoV-2 3CL in complex with inhibitor NK01-63 | 分子名称: | (1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[3-(trifluoromethyl)phenyl]methoxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid, 1,2-ETHANEDIOL, 3C-like proteinase nsp5, ... | 著者 | Forouhar, F, Liu, H, Iketani, S, Zack, A, Khanizeman, N, Bednarova, E, Fowler, B, Hong, S.J, Mohri, H, Nair, M.S, Huang, Y, Tay, N.E.S, Lee, S, Karan, C, Resnick, S.J, Quinn, C, Li, W, Shion, H, Jurtschenko, C, Lauber, M.A, McDonald, T, Stokes, M.E, Hurst, B, Rovis, T, Chavez, A, Ho, D.D, Stockwell, B.R. | 登録日 | 2022-01-14 | 公開日 | 2022-05-04 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Development of optimized drug-like small molecule inhibitors of the SARS-CoV-2 3CL protease for treatment of COVID-19. Nat Commun, 13, 2022
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7APY
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![BU of 7apy by Molmil](/molmil-images/mine/7apy) | Pseudomonas stutzeri nitrous oxide reductase mutant, D576A | 分子名称: | (MU-4-SULFIDO)-TETRA-NUCLEAR COPPER ION, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ... | 著者 | Zhang, L, Bill, E, Kroneck, P.M.H, Einsle, O. | 登録日 | 2020-10-20 | 公開日 | 2021-01-13 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.778 Å) | 主引用文献 | Histidine-Gated Proton-Coupled Electron Transfer to the Cu A Site of Nitrous Oxide Reductase. J.Am.Chem.Soc., 143, 2021
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