5K2F
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![BU of 5k2f by Molmil](/molmil-images/mine/5k2f) | Structure of NNQQNY from yeast prion Sup35 with cadmium acetate determined by MicroED | Descriptor: | ACETATE ION, CADMIUM ION, Eukaryotic peptide chain release factor GTP-binding subunit | Authors: | Rodriguez, J.A, Sawaya, M.R, Cascio, D, Eisenberg, D.S. | Deposit date: | 2016-05-18 | Release date: | 2016-09-14 | Last modified: | 2024-03-06 | Method: | ELECTRON CRYSTALLOGRAPHY (1 Å) | Cite: | Ab initio structure determination from prion nanocrystals at atomic resolution by MicroED. Proc.Natl.Acad.Sci.USA, 113, 2016
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8BZN
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![BU of 8bzn by Molmil](/molmil-images/mine/8bzn) | SARS-CoV-2 non-structural protein 10 (nsp10) variant T102I | Descriptor: | CHLORIDE ION, DIMETHYL SULFOXIDE, Replicase polyprotein 1ab, ... | Authors: | Wang, H, Rizvi, S.R.A, Dong, D, Lou, J, Wang, Q, Sopipong, W, Najar, F, Agarwal, P.K, Kozielski, F, Haider, S. | Deposit date: | 2022-12-15 | Release date: | 2023-12-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Emerging variants of SARS-CoV-2 NSP10 highlight strong functional conservation of its binding to two non-structural proteins, NSP14 and NSP16. Elife, 12, 2023
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7AWK
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5MI3
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![BU of 5mi3 by Molmil](/molmil-images/mine/5mi3) | Structure of phosphorylated translation elongation factor EF-Tu from E. coli | Descriptor: | Elongation factor Tu 1, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION | Authors: | Talavera, A, Hendrix, J, Versees, W, De Gieter, S, Castro-Roa, D, Jurenas, D, Van Nerom, K, Vandenberk, N, Barth, A, De Greve, H, Hofkens, J, Zenkin, N, Loris, R, Garcia-Pino, A. | Deposit date: | 2016-11-27 | Release date: | 2017-12-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Phosphorylation decelerates conformational dynamics in bacterial translation elongation factors. Sci Adv, 4, 2018
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7KHF
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5CGN
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![BU of 5cgn by Molmil](/molmil-images/mine/5cgn) | Structure of quasiracemic Ala-Magainin 2 with a beta amino acid substitution at position 8 | Descriptor: | CHLORIDE ION, D-Ala-Magainin Derivative, L-ACPC8-Ala-Magainin | Authors: | Hayouka, Z, Thomas, N.C, Mortenson, D.E, Satyshur, K.A, Weisblum, B, Forest, K.T, Gellman, S.H. | Deposit date: | 2015-07-09 | Release date: | 2015-09-23 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Quasiracemate Crystal Structures of Magainin 2 Derivatives Support the Functional Significance of the Phenylalanine Zipper Motif. J.Am.Chem.Soc., 137, 2015
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6VH2
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![BU of 6vh2 by Molmil](/molmil-images/mine/6vh2) | 2.26 A resolution structure of MERS 3CL protease in complex with inhibitor 7i | Descriptor: | 4,4-difluorocyclohexyl [(2S)-3-cyclohexyl-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]carbamate, Orf1a protein | Authors: | Lovell, S, Battaile, K.P, Kashipathy, M.M, Rathnayake, A.D, Zheng, J, Kim, Y, Nguyen, H.N, Chang, K.O, Groutas, W.C. | Deposit date: | 2020-01-09 | Release date: | 2020-08-12 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | 3C-like protease inhibitors block coronavirus replication in vitro and improve survival in MERS-CoV-infected mice. Sci Transl Med, 12, 2020
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8TO0
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![BU of 8to0 by Molmil](/molmil-images/mine/8to0) | 48-nm repeating structure of doublets from mouse sperm flagella | Descriptor: | Cilia- and flagella- associated protein 210, Cilia- and flagella-associated protein 107, Cilia- and flagella-associated protein 141, ... | Authors: | Chen, Z, Shiozak, M, Hass, K.M, Skinner, W, Zhao, S, Guo, C, Polacco, B.J, Yu, Z, Krogan, N.J, Kaake, R.M, Vale, R.D, Agard, D.A. | Deposit date: | 2023-08-02 | Release date: | 2023-11-01 | Last modified: | 2023-11-22 | Method: | ELECTRON MICROSCOPY (7.7 Å) | Cite: | De novo protein identification in mammalian sperm using in situ cryoelectron tomography and AlphaFold2 docking. Cell, 186, 2023
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6YQN
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![BU of 6yqn by Molmil](/molmil-images/mine/6yqn) | Crystal structure of the first bromodomain of human BRD4 in complex with the dual inhibitor TW9 | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-(2-aminophenyl)-4-[2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]t rideca-2(6),4,7,10,12-pentaen-9-yl]ethanoylamino]benzamide | Authors: | Joerger, A.C, Balourdas, D.I, Weiser, T, Chatterjee, D, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-04-17 | Release date: | 2020-05-06 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Characterization of a dual BET/HDAC inhibitor for treatment of pancreatic ductal adenocarcinoma. Int.J.Cancer, 147, 2020
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6BJH
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![BU of 6bjh by Molmil](/molmil-images/mine/6bjh) | CIRV p19 mutant T111S in complex with siRNA | Descriptor: | RNA (5'-R(P*CP*GP*UP*AP*CP*GP*CP*GP*GP*AP*AP*UP*AP*CP*UP*UP*CP*GP*AP*UP*U)-3'), RNA (5'-R(P*UP*CP*GP*AP*AP*GP*UP*AP*UP*UP*CP*CP*GP*CP*GP*UP*AP*CP*GP*UP*U)-3'), RNA silencing suppressor p19 | Authors: | Foss, D.V, Schirle, N.T, MacRae, I.J, Pezacki, J.P. | Deposit date: | 2017-11-06 | Release date: | 2019-01-16 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | Structural insights into interactions between viral suppressor of RNA silencing protein p19 mutants and small RNAs. Febs Open Bio, 9, 2019
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8C15
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![BU of 8c15 by Molmil](/molmil-images/mine/8c15) | Aurora A kinase in complex with TPX2-inhibitor 3 | Descriptor: | (1~{R},2~{R})-cyclohexane-1,2-dicarboxylic acid, 4-(4-chlorophenyl)-1~{H}-indole-6-carboxylic acid, ACETATE ION, ... | Authors: | Fischer, G, Rocaboy, M, Blaszczyk, B, Moschetti, T, Wang, X, Scott, D.E, Coyne, A.G, Dagostin, C, Rooney, T, Bayly, A, Feng, J, Asteian, A, Alcaide-Lopez, A, Stockwell, S, Skidmore, J, Venkitaraman, A.R, Abell, C, Blundell, T.L, Hyvonen, M. | Deposit date: | 2022-12-20 | Release date: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Selective inhibitors of the Aurora A-TPX2 protein-protein interaction exhibit in vivo efficacy as targeted anti-mitotic agents To be published
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7T19
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![BU of 7t19 by Molmil](/molmil-images/mine/7t19) | Rev1 Ternary Complex with dGTP and Ca2+ | Descriptor: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(*CP*AP*TP*CP*GP*CP*TP*AP*CP*CP*AP*CP*AP*CP*CP*CP*C)-3'), ... | Authors: | Freudenthal, B.D, Weaver, T.M. | Deposit date: | 2021-12-01 | Release date: | 2022-05-25 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Mechanism of nucleotide discrimination by the translesion synthesis polymerase Rev1. Nat Commun, 13, 2022
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5K2E
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![BU of 5k2e by Molmil](/molmil-images/mine/5k2e) | Structure of NNQQNY from yeast prion Sup35 with zinc acetate determined by MicroED | Descriptor: | ACETIC ACID, Eukaryotic peptide chain release factor GTP-binding subunit, ZINC ION | Authors: | Rodriguez, J.A, Sawaya, M.R, Cascio, D, Eisenberg, D.S. | Deposit date: | 2016-05-18 | Release date: | 2016-09-14 | Last modified: | 2024-03-06 | Method: | ELECTRON CRYSTALLOGRAPHY (1 Å) | Cite: | Ab initio structure determination from prion nanocrystals at atomic resolution by MicroED. Proc.Natl.Acad.Sci.USA, 113, 2016
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7T1B
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![BU of 7t1b by Molmil](/molmil-images/mine/7t1b) | Rev1 Ternary Complex with rCTP and Ca2+ | Descriptor: | CALCIUM ION, CYTIDINE-5'-TRIPHOSPHATE, DNA (5'-D(*AP*TP*CP*GP*CP*TP*AP*CP*CP*AP*CP*AP*CP*CP*CP*C)-3'), ... | Authors: | Freudenthal, B.D, Weaver, T.M. | Deposit date: | 2021-12-01 | Release date: | 2022-05-25 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Mechanism of nucleotide discrimination by the translesion synthesis polymerase Rev1. Nat Commun, 13, 2022
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8EZZ
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![BU of 8ezz by Molmil](/molmil-images/mine/8ezz) | SARS-CoV-2 Main Protease (Mpro) in Complex with ML2006a2 | Descriptor: | (1R,2S,5S)-N-{(2S,3R)-4-(3,3-difluoroazetidin-1-yl)-3-hydroxy-4-oxo-1-[(3S)-2-oxopiperidin-3-yl]butan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5, CHLORIDE ION | Authors: | Westberg, M, Fernandez, D, Lin, M.Z. | Deposit date: | 2022-11-01 | Release date: | 2023-10-11 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | An orally bioavailable SARS-CoV-2 main protease inhibitor exhibits improved affinity and reduced sensitivity to mutations. Sci Transl Med, 16, 2024
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5MSO
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![BU of 5mso by Molmil](/molmil-images/mine/5mso) | |
5MSW
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![BU of 5msw by Molmil](/molmil-images/mine/5msw) | |
7T9G
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![BU of 7t9g by Molmil](/molmil-images/mine/7t9g) | Structure of VcINDY-Na+ | Descriptor: | DASS family sodium-coupled anion symporter, SODIUM ION | Authors: | Sauer, D.B, Marden, J.J, Song, J.M, Wang, D.N. | Deposit date: | 2021-12-19 | Release date: | 2022-05-25 | Last modified: | 2024-02-28 | Method: | ELECTRON MICROSCOPY (2.83 Å) | Cite: | Structural basis of ion - substrate coupling in the Na + -dependent dicarboxylate transporter VcINDY. Nat Commun, 13, 2022
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7T18
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![BU of 7t18 by Molmil](/molmil-images/mine/7t18) | Rev1 Ternary Complex with dTTP and Ca2+ | Descriptor: | CALCIUM ION, DNA (5'-D(*AP*TP*CP*GP*CP*TP*AP*CP*CP*AP*CP*AP*CP*CP*CP*C)-3'), DNA (5'-D(P*GP*GP*GP*GP*TP*GP*TP*GP*GP*TP*AP*G)-3'), ... | Authors: | Freudenthal, B.D, Weaver, T.M. | Deposit date: | 2021-12-01 | Release date: | 2022-05-25 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Mechanism of nucleotide discrimination by the translesion synthesis polymerase Rev1. Nat Commun, 13, 2022
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7T1A
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![BU of 7t1a by Molmil](/molmil-images/mine/7t1a) | Rev1 Ternary Complex with dATP and Ca2+ | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(*AP*TP*CP*GP*CP*TP*AP*CP*CP*AP*CP*AP*CP*CP*CP*C)-3'), ... | Authors: | Freudenthal, B.D, Weaver, T.M. | Deposit date: | 2021-12-01 | Release date: | 2022-05-25 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Mechanism of nucleotide discrimination by the translesion synthesis polymerase Rev1. Nat Commun, 13, 2022
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7B4A
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![BU of 7b4a by Molmil](/molmil-images/mine/7b4a) | Structural basis of reactivation of oncogenic p53 mutants by a small molecule: methylene quinuclidinone (MQ). Human p53DBD-R273H mutant bound to DNA: R273H-DNA | Descriptor: | Cellular tumor antigen p53, DNA target, FORMIC ACID, ... | Authors: | Golovenko, D, Rozenberg, H, Degtjarik, O, Shakked, Z. | Deposit date: | 2020-12-02 | Release date: | 2021-12-08 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural basis of reactivation of oncogenic p53 mutants by a small molecule: methylene quinuclidinone (MQ). Nat Commun, 12, 2021
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8F2D
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![BU of 8f2d by Molmil](/molmil-images/mine/8f2d) | SARS-CoV-2 Main Protease (Mpro) in Complex with ML4006a | Descriptor: | (1R,2S,5S)-N-[(2S,3R)-4-(azetidin-1-yl)-3-hydroxy-4-oxo-1-(2-oxopiperidin-1-yl)butan-2-yl]-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5, CHLORIDE ION | Authors: | Westberg, M, Fernandez, D, Lin, M.Z. | Deposit date: | 2022-11-07 | Release date: | 2023-10-11 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | An orally bioavailable SARS-CoV-2 main protease inhibitor exhibits improved affinity and reduced sensitivity to mutations. Sci Transl Med, 16, 2024
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6FAY
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![BU of 6fay by Molmil](/molmil-images/mine/6fay) | Teneurin3 monomer | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Odz3 protein | Authors: | Janssen, B.J.C, Meijer, D.H.M, van Bezouwen, L.S. | Deposit date: | 2017-12-18 | Release date: | 2018-03-28 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Structures of Teneurin adhesion receptors reveal an ancient fold for cell-cell interaction. Nat Commun, 9, 2018
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6PGW
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![BU of 6pgw by Molmil](/molmil-images/mine/6pgw) | |
4YJP
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![BU of 4yjp by Molmil](/molmil-images/mine/4yjp) | THE KINASE DOMAIN OF HUMAN SPLEEN TYROSINE (SYK) IN COMPLEX WITH GTC000223 | Descriptor: | 2-[{2-[(1,1-dioxido-2,3-dihydro-1,2-benzothiazol-6-yl)amino]pyrimidin-4-yl}(1H-indazol-4-yl)amino]ethanol, DIMETHYL SULFOXIDE, Tyrosine-protein kinase SYK | Authors: | Somers, D.O, Neu, M. | Deposit date: | 2015-03-03 | Release date: | 2015-09-30 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Discovery of GSK143, a highly potent, selective and orally efficacious spleen tyrosine kinase inhibitor. Bioorg. Med. Chem. Lett., 21, 2011
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