6Y06
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6Z05
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6YVF
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![BU of 6yvf by Molmil](/molmil-images/mine/6yvf) | Structure of SARS-CoV-2 Main Protease bound to AZD6482. | 分子名称: | 2-[[(1R)-1-(7-methyl-2-morpholin-4-yl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-9-yl)ethyl]amino]benzoic acid, 3C-like proteinase, CALCIUM ION, ... | 著者 | Guenther, S, Reinke, P, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashour, A, White, T.A, Knoska, J, Pena Esperanza, G, Koua, F, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Paulraj, L.X, Ullah, N, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Doyle, J.J, Giseler, H, Melo, D, Dunkel, I, Lane, T.J, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A. | 登録日 | 2020-04-28 | 公開日 | 2020-05-20 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease. Science, 372, 2021
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7QLJ
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6Z9I
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![BU of 6z9i by Molmil](/molmil-images/mine/6z9i) | Escherichia coli D-2-deoxyribose-5-phosphate aldolase - N21K mutant complex with reaction products | 分子名称: | 1,2-ETHANEDIOL, Deoxyribose-phosphate aldolase, GLYCERALDEHYDE-3-PHOSPHATE, ... | 著者 | Paakkonen, J, Hakulinen, N, Rouvinen, J. | 登録日 | 2020-06-04 | 公開日 | 2020-11-18 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | 主引用文献 | Substrate specificity of 2-deoxy-D-ribose 5-phosphate aldolase (DERA) assessed by different protein engineering and machine learning methods. Appl.Microbiol.Biotechnol., 104, 2020
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5YKH
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![BU of 5ykh by Molmil](/molmil-images/mine/5ykh) | Crystal structure of the engineered nine-repeat PUF domain | 分子名称: | PHOSPHATE ION, Pumilio homolog 1 | 著者 | Zhao, Y.Y, Wang, J, Li, H.T, Wang, Z.X, Wu, J.W. | 登録日 | 2017-10-14 | 公開日 | 2018-03-14 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.457 Å) | 主引用文献 | Expanding RNA binding specificity and affinity of engineered PUF domains. Nucleic Acids Res., 46, 2018
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6Z27
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![BU of 6z27 by Molmil](/molmil-images/mine/6z27) | Photosynthetic Reaction Center From Rhodobacter Sphaeroides strain RV LCP crystallization | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1,2-ETHANEDIOL, BACTERIOCHLOROPHYLL A, ... | 著者 | Gabdulkhakov, A.G, Fufina, T.Y, Vasilieva, L.G, Betzel, C, Selikhanov, G.K. | 登録日 | 2020-05-15 | 公開日 | 2020-12-02 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Novel approaches for the lipid sponge phase crystallization of the Rhodobacter sphaeroides photosynthetic reaction center. Iucrj, 7, 2020
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5YLX
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![BU of 5ylx by Molmil](/molmil-images/mine/5ylx) | Integrated illustration of a valid epitope based on the SLA class I structure and tetramer technique could carry forward the development of molecular vaccine in swine species | 分子名称: | Beta-2-microglobulin, MHC class I antigen, PRRSV-NSP9-TMP9 peptide | 著者 | Pan, X.C, Wei, X.H, Zhang, N, Xia, C. | 登録日 | 2017-10-20 | 公開日 | 2018-10-24 | 最終更新日 | 2020-05-06 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Illumination of PRRSV Cytotoxic T Lymphocyte Epitopes by the Three-Dimensional Structure and Peptidome of Swine Lymphocyte Antigen Class I (SLA-I). Front Immunol, 10, 2019
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7QTB
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![BU of 7qtb by Molmil](/molmil-images/mine/7qtb) | S1 nuclease from Aspergillus oryzae in complex with cytidine-5'-monophosphate | 分子名称: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | 著者 | Adamkova, K, Koval, T, Kolenko, P, Oestergaard, L.H, Dohnalek, J. | 登録日 | 2022-01-14 | 公開日 | 2022-11-09 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.04 Å) | 主引用文献 | Atomic resolution studies of S1 nuclease complexes reveal details of RNA interaction with the enzyme despite multiple lattice-translocation defects. Acta Crystallogr D Struct Biol, 78, 2022
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5YRX
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![BU of 5yrx by Molmil](/molmil-images/mine/5yrx) | Crystal structure of a hypothetical protein Rv3716c from Mycobacterium tuberculosis | 分子名称: | 1,2-ETHANEDIOL, CADMIUM ION, Nucleoid-associated protein Rv3716c | 著者 | Deka, G, Gopalan, A, Prabhavathi, M, Savithri, H.S, Raja, A, Murthy, M.R.N. | 登録日 | 2017-11-10 | 公開日 | 2018-05-16 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structural and biophysical characterization of Rv3716c, a hypothetical protein from Mycobacterium tuberculosis Biochem. Biophys. Res. Commun., 495, 2018
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8DW9
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7QTA
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![BU of 7qta by Molmil](/molmil-images/mine/7qta) | S1 nuclease from Aspergillus oryzae in complex with uridine | 分子名称: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Nuclease S1, ... | 著者 | Adamkova, K, Koval, T, Kolenko, P, Oestergaard, L.H, Dohnalek, J. | 登録日 | 2022-01-14 | 公開日 | 2022-11-09 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.06 Å) | 主引用文献 | Atomic resolution studies of S1 nuclease complexes reveal details of RNA interaction with the enzyme despite multiple lattice-translocation defects. Acta Crystallogr D Struct Biol, 78, 2022
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8DXS
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8DWA
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6Z83
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![BU of 6z83 by Molmil](/molmil-images/mine/6z83) | CK2 alpha bound to chemical probe SGC-CK2-1 | 分子名称: | Casein kinase II subunit alpha, DI(HYDROXYETHYL)ETHER, SULFATE ION, ... | 著者 | Kraemer, A, Wells, C, Drewry, D.H, Pickett, J.E, Axtman, A.D, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2020-06-02 | 公開日 | 2020-07-29 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.171 Å) | 主引用文献 | Development of a potent and selective chemical probe for the pleiotropic kinase CK2. Cell Chem Biol, 28, 2021
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8DV6
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![BU of 8dv6 by Molmil](/molmil-images/mine/8dv6) | Zika virus envelope protein structure in complex with a potent Human mAb | 分子名称: | Envelope protein E, mAb Fab Heavy Chain, mAb Fab Light Chain | 著者 | Cameron, A, Puhl, A.C, deSilva, A.M, Premkumar, L. | 登録日 | 2022-07-28 | 公開日 | 2023-01-04 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (3.38 Å) | 主引用文献 | Structure and neutralization mechanism of a human antibody targeting a complex Epitope on Zika virus. Plos Pathog., 19, 2023
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7QB2
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![BU of 7qb2 by Molmil](/molmil-images/mine/7qb2) | Pim1 in complex with (E)-4-((6-amino-1-methyl-2-oxoindolin-3-ylidene)methyl)benzoic acid and Pimtide | 分子名称: | 4-[(E)-(6-azanyl-1-methyl-2-oxidanylidene-indol-3-ylidene)methyl]benzoic acid, GLYCEROL, Pimtide, ... | 著者 | Hochban, P.M.M, Heine, A, Diederich, W.E. | 登録日 | 2021-11-18 | 公開日 | 2022-11-30 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.53 Å) | 主引用文献 | Pose, duplicate, then elaborate: Steps towards increased affinity for inhibitors targeting the specificity surface of the Pim-1 kinase. Eur.J.Med.Chem., 245, 2023
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8ALX
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![BU of 8alx by Molmil](/molmil-images/mine/8alx) | Structure of human PD-L1 in complex with inhibitor | 分子名称: | 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE, AMINOMETHYLAMIDE, ACETATE ION, ... | 著者 | Rodriguez, I, Grudnik, P, Holak, T, Magiera-Mularz, K. | 登録日 | 2022-08-01 | 公開日 | 2023-08-16 | 最終更新日 | 2024-07-10 | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | 主引用文献 | Structural and biological characterization of pAC65, a macrocyclic peptide that blocks PD-L1 with equivalent potency to the FDA-approved antibodies. Mol Cancer, 22, 2023
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6Z9H
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![BU of 6z9h by Molmil](/molmil-images/mine/6z9h) | Escherichia coli D-2-deoxyribose-5-phosphate aldolase - C47V/G204A/S239D mutant | 分子名称: | 1,2-ETHANEDIOL, Deoxyribose-phosphate aldolase, FORMIC ACID, ... | 著者 | Paakkonen, J, Hakulinen, N, Rouvinen, J. | 登録日 | 2020-06-04 | 公開日 | 2020-11-18 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | 主引用文献 | Substrate specificity of 2-deoxy-D-ribose 5-phosphate aldolase (DERA) assessed by different protein engineering and machine learning methods. Appl.Microbiol.Biotechnol., 104, 2020
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7QFM
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![BU of 7qfm by Molmil](/molmil-images/mine/7qfm) | Pim1 in complex with (E)-4-((2-oxoindolin-3-ylidene)methyl)benzoic acid and Pimtide | 分子名称: | 4-[(~{E})-(2-oxidanylidene-1~{H}-indol-3-ylidene)methyl]benzoic acid, GLYCEROL, Pimtide, ... | 著者 | Hochban, P.M.M, Heine, A, Diederich, W.E. | 登録日 | 2021-12-06 | 公開日 | 2022-12-21 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Pose, duplicate, then elaborate: Steps towards increased affinity for inhibitors targeting the specificity surface of the Pim-1 kinase. Eur.J.Med.Chem., 245, 2023
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8E55
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7QG0
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6ZGC
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![BU of 6zgc by Molmil](/molmil-images/mine/6zgc) | Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound Saracatinib (AZD0530) | 分子名称: | Activin receptor type I, N-(5-CHLORO-1,3-BENZODIOXOL-4-YL)-7-[2-(4-METHYLPIPERAZIN-1-YL)ETHOXY]-5-(TETRAHYDRO-2H-PYRAN-4-YLOXY)QUINAZOLIN-4-AMINE, PHOSPHATE ION, ... | 著者 | Williams, E.P, Galan Bartual, S, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N. | 登録日 | 2020-06-18 | 公開日 | 2020-07-29 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.67 Å) | 主引用文献 | Saracatinib is an efficacious clinical candidate for fibrodysplasia ossificans progressiva. JCI Insight, 6, 2021
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6Z6Y
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6Z84
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![BU of 6z84 by Molmil](/molmil-images/mine/6z84) | CK2 alpha bound to chemical probe SGC-CK2-1 derivative | 分子名称: | Casein kinase II subunit alpha, SULFATE ION, ~{N}-[1-[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]indol-6-yl]ethanamide | 著者 | Kraemer, A, Wells, C, Drewry, D.H, Pickett, J.E, Axtman, A.D, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2020-06-02 | 公開日 | 2020-07-29 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Development of a potent and selective chemical probe for the pleiotropic kinase CK2. Cell Chem Biol, 28, 2021
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