7AF0
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![BU of 7af0 by Molmil](/molmil-images/mine/7af0) | Structure of SARS-CoV-2 Main Protease bound to Ipidacrine. | Descriptor: | 2,3,5,6,7,8-hexahydro-1~{H}-cyclopenta[b]quinolin-9-amine, 3C-like proteinase, CHLORIDE ION, ... | Authors: | 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. | Deposit date: | 2020-09-18 | Release date: | 2020-12-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease. Science, 372, 2021
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6OT1
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7PV8
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![BU of 7pv8 by Molmil](/molmil-images/mine/7pv8) | |
7NE0
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![BU of 7ne0 by Molmil](/molmil-images/mine/7ne0) | Structure of the ternary complex between Netrin-1, Repulsive-Guidance Molecule-B (RGMB) and Neogenin | Descriptor: | 1,3,4,6-tetra-O-sulfo-beta-D-fructofuranose-(2-1)-2,3,4,6-tetra-O-sulfonato-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Robinson, R.A, Griffiths, S.C, van de Haar, L.L, Malinauskas, T, van Battum, E.Y, Zelina, P, Schwab, R.A, Karia, D, Malinauskaite, L, Brignani, S, van den Munkhof, M, Dudukcu, O, De Ruiter, A.A, Van den Heuvel, D.M.A, Bishop, B, Elegheert, J, Aricescu, A.R, Pasterkamp, R.J, Siebold, C. | Deposit date: | 2021-02-02 | Release date: | 2021-03-31 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.25 Å) | Cite: | Simultaneous binding of Guidance Cues NET1 and RGM blocks extracellular NEO1 signaling. Cell, 184, 2021
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7PH1
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![BU of 7ph1 by Molmil](/molmil-images/mine/7ph1) | Trypsin in complex with BPTI mutant (2S)-2-amino-4-monofluorobutanoic acid | Descriptor: | CALCIUM ION, Cationic trypsin, GLYCEROL, ... | Authors: | Dimos, N, Leppkes, J, Koksch, B, Loll, B. | Deposit date: | 2021-08-16 | Release date: | 2022-03-30 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.18 Å) | Cite: | Water Network in the Binding Pocket of Fluorinated BPTI-Trypsin Complexes─Insights from Simulation and Experiment. J.Phys.Chem.B, 126, 2022
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7N62
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![BU of 7n62 by Molmil](/molmil-images/mine/7n62) | SARS-CoV-2 Spike (2P) in complex with C12C9 Fab (NTD local reconstruction) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, C12C9 Fab heavy chain, C12C9 Fab light chain, ... | Authors: | Windsor, I.W, Jenni, S, Bajic, G, Tong, P, Gautam, A.K, Wesemann, D.R, Harrison, S.C. | Deposit date: | 2021-06-07 | Release date: | 2021-08-04 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Memory B cell repertoire for recognition of evolving SARS-CoV-2 spike. Biorxiv, 2021
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7NMS
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8FD2
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![BU of 8fd2 by Molmil](/molmil-images/mine/8fd2) | Cryo-EM structure of Cascade complex in type I-B CAST system | Descriptor: | A Type I-B CRISPR-associated protein Cas5, RNA, Type I-B CRISPR-associated protein Cas11, ... | Authors: | Chang, L, Wang, S. | Deposit date: | 2022-12-01 | Release date: | 2023-08-09 | Last modified: | 2024-01-31 | Method: | ELECTRON MICROSCOPY (3.65 Å) | Cite: | Molecular mechanism for Tn7-like transposon recruitment by a type I-B CRISPR effector. Cell, 186, 2023
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7QO7
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![BU of 7qo7 by Molmil](/molmil-images/mine/7qo7) | SARS-CoV-2 S Omicron Spike B.1.1.529 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Ni, D, Lau, K, Turelli, P, Beckert, B, Nazarov, S, Pojer, F, Myasnikov, A, Stahlberg, H, Trono, D. | Deposit date: | 2021-12-23 | Release date: | 2022-01-19 | Method: | ELECTRON MICROSCOPY (3.02 Å) | Cite: | Structural analysis of the Spike of the Omicron SARS-COV-2 variant by cryo-EM and implications for immune evasion Biorxiv, 2021
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6NZ7
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![BU of 6nz7 by Molmil](/molmil-images/mine/6nz7) | |
8FCJ
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![BU of 8fcj by Molmil](/molmil-images/mine/8fcj) | |
7ABI
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![BU of 7abi by Molmil](/molmil-images/mine/7abi) | Human pre-Bact-2 spliceosome | Descriptor: | 116 kDa U5 small nuclear ribonucleoprotein component, BUD13 homolog, Beta-catenin-like protein 1, ... | Authors: | Townsend, C, Kastner, B, Leelaram, M.N, Bertram, K, Stark, H, Luehrmann, R. | Deposit date: | 2020-09-07 | Release date: | 2021-02-10 | Method: | ELECTRON MICROSCOPY (8 Å) | Cite: | Mechanism of protein-guided folding of the active site U2/U6 RNA during spliceosome activation. Science, 370, 2020
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7NEG
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![BU of 7neg by Molmil](/molmil-images/mine/7neg) | Crystal structure of the N501Y mutant receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with COVOX-269 Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody COVOX-269 Fab heavy chain, Antibody COVOX-269 Fab light chain, ... | Authors: | Zhou, D, Ren, J, Stuart, D. | Deposit date: | 2021-02-04 | Release date: | 2021-03-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Reduced neutralization of SARS-CoV-2 B.1.1.7 variant by convalescent and vaccine sera. Cell, 184, 2021
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7NEH
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![BU of 7neh by Molmil](/molmil-images/mine/7neh) | Crystal structure of the receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with COVOX-269 Fab | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | Authors: | Zhou, D, Ren, J, Stuart, D. | Deposit date: | 2021-02-04 | Release date: | 2021-03-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Reduced neutralization of SARS-CoV-2 B.1.1.7 variant by convalescent and vaccine sera. Cell, 184, 2021
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7NDG
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![BU of 7ndg by Molmil](/molmil-images/mine/7ndg) | Cryo-EM structure of the ternary complex between Netrin-1, Neogenin and Repulsive Guidance Molecule B | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Neogenin, ... | Authors: | Robinson, R.A, Griffiths, S.C, van de Haar, L.L, Malinauskas, T, van Battum, E.Y, Zelina, P, Schwab, R.A, Karia, D, Malinauskaite, L, Brignani, S, van den Munkhof, M, Dudukcu, O, De Ruiter, A.A, Van den Heuvel, D.M.A, Bishop, B, Elegheert, J, Aricescu, A.R, Pasterkamp, R.J, Siebold, C. | Deposit date: | 2021-02-01 | Release date: | 2021-03-31 | Last modified: | 2021-04-28 | Method: | ELECTRON MICROSCOPY (5.98 Å) | Cite: | Simultaneous binding of Guidance Cues NET1 and RGM blocks extracellular NEO1 signaling. Cell, 184, 2021
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8TUH
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![BU of 8tuh by Molmil](/molmil-images/mine/8tuh) | HLA B7:02 with RPIIRPATL | Descriptor: | 1,2-ETHANEDIOL, ARG-PRO-ILE-ILE-ARG-PRO-ALA-THR-LEU, Beta-2-microglobulin, ... | Authors: | Littler, D.R, Rossjohn, J, Chaurasia, P, Petersen, J. | Deposit date: | 2023-08-16 | Release date: | 2024-03-13 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.200106 Å) | Cite: | CD8 + T-cell responses towards conserved influenza B virus epitopes across anatomical sites and age. Nat Commun, 15, 2024
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7Q10
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![BU of 7q10 by Molmil](/molmil-images/mine/7q10) | Acetyltrasferase(3) type IIIa in complex with 3-N-methyl-nemycin B | Descriptor: | 3N methyl nemycin B, ACETATE ION, Aminoglycoside N(3)-acetyltransferase III, ... | Authors: | Pontillo, N, Guskov, A. | Deposit date: | 2021-10-17 | Release date: | 2022-11-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | 3-N-alkylation in aminoglycoside antibiotic neomycin B overcomes bacterial resistance mediated by acetyltransferase (3) IIIa To Be Published
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7QO9
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![BU of 7qo9 by Molmil](/molmil-images/mine/7qo9) | SARS-CoV-2 S Omicron Spike B.1.1.529 - RBD and NTD (Local) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein,SARS-CoV-2 S Omicron Spike B.1.1.529, ... | Authors: | Ni, D, Lau, K, Turelli, P, Beckert, B, Nazarov, S, Pojer, F, Myasnikov, A, Stahlberg, H, Trono, D. | Deposit date: | 2021-12-23 | Release date: | 2022-01-26 | Method: | ELECTRON MICROSCOPY (3.88 Å) | Cite: | Structural analysis of the Spike of the Omicron SARS-COV-2 variant by cryo-EM and implications for immune evasion Biorxiv, 2021
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7MYJ
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![BU of 7myj by Molmil](/molmil-images/mine/7myj) | Structure of full length human AMPK (a2b1g1) in complex with a small molecule activator MSG011 | Descriptor: | (5S,6R,7R,9R,13cR,14R,16aS)-6-methoxy-5-methyl-7-(methylamino)-6,7,8,9,14,15,16,16a-octahydro-5H,13cH-5,9-epoxy-4b,9a,1 5-triazadibenzo[b,h]cyclonona[1,2,3,4-jkl]cyclopenta[e]-as-indacen-14-ol, 5'-AMP-activated protein kinase catalytic subunit alpha-2, 5'-AMP-activated protein kinase subunit beta-1, ... | Authors: | Ovens, A.J, Gee, Y.S, Ling, N.X.Y, Waters, N.J, Yu, D, Scott, J.W, Parker, M.W, Hoffman, N.J, Kemp, B.E, Baell, J.B, Oakhill, J.S, Langendorf, C.G. | Deposit date: | 2021-05-21 | Release date: | 2022-06-29 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Structure-function analysis of the AMPK activator SC4 and identification of a potent pan AMPK activator. Biochem.J., 479, 2022
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7A5P
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![BU of 7a5p by Molmil](/molmil-images/mine/7a5p) | Human C Complex Spliceosome - Medium-resolution PERIPHERY | Descriptor: | Cell division cycle 5-like protein, Crooked neck-like protein 1, Eukaryotic initiation factor 4A-III, ... | Authors: | Bertram, K, Kastner, B. | Deposit date: | 2020-08-21 | Release date: | 2020-10-14 | Method: | ELECTRON MICROSCOPY (5 Å) | Cite: | Structural Insights into the Roles of Metazoan-Specific Splicing Factors in the Human Step 1 Spliceosome. Mol.Cell, 80, 2020
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7ABG
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![BU of 7abg by Molmil](/molmil-images/mine/7abg) | Human pre-Bact-1 spliceosome | Descriptor: | 116 kDa U5 small nuclear ribonucleoprotein component, 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE-5'-GUANOSINE, Cell division cycle 5-like protein, ... | Authors: | Townsend, C, Kastner, B, Leelaram, M.N, Bertram, K, Stark, H, Luehrmann, R. | Deposit date: | 2020-09-07 | Release date: | 2020-12-23 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (7.8 Å) | Cite: | Mechanism of protein-guided folding of the active site U2/U6 RNA during spliceosome activation. Science, 370, 2020
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8G3Z
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6YXM
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![BU of 6yxm by Molmil](/molmil-images/mine/6yxm) | Crystal structure of ACPA 1F2 in complex with CII-C-39-CIT | Descriptor: | ACPA 1F2 Fab fragment - heavy chain, ACPA 1F2 Fab fragment - light chain, CII-C-39-CIT, ... | Authors: | Ge, C, Holmdahl, R. | Deposit date: | 2020-05-03 | Release date: | 2021-05-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Surface Ig variable domain glycosylation affects autoantigen binding and acts as threshold for human autoreactive B cell activation. Sci Adv, 8, 2022
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6YXK
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![BU of 6yxk by Molmil](/molmil-images/mine/6yxk) | Crystal structure of ACPA 3F3 in complex with cit-vimentin 59-74 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACPA 3F3 Fab fragment - heavy chain, ACPA 3F3 Fab fragment - light chain, ... | Authors: | Ge, C, Holmdahl, R. | Deposit date: | 2020-05-03 | Release date: | 2021-05-12 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Surface Ig variable domain glycosylation affects autoantigen binding and acts as threshold for human autoreactive B cell activation. Sci Adv, 8, 2022
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8TGB
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![BU of 8tgb by Molmil](/molmil-images/mine/8tgb) | Crystal structure of root lateral formation protein (RLF) b5-domain from Oryza sativa | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, root lateral formation protein (RLF) | Authors: | Lovell, S, Kashipathy, M.M, Battaile, K.P, Benson, D.R. | Deposit date: | 2023-07-12 | Release date: | 2023-12-13 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | The N-terminal intrinsically disordered region of Ncb5or docks with the cytochrome b 5 core to form a helical motif that is of ancient origin. Proteins, 92, 2024
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