7QIM
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![BU of 7qim by Molmil](/molmil-images/mine/7qim) | In situ structure of nebulin bound to actin filament in skeletal sarcomere | Descriptor: | ACTS protein, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Wang, Z, Grange, M, Pospich, S, Wagner, T, Kho, A.L, Gautel, M, Raunser, S. | Deposit date: | 2021-12-15 | Release date: | 2022-03-16 | Method: | ELECTRON MICROSCOPY (4.5 Å) | Cite: | Structures from intact myofibrils reveal mechanism of thin filament regulation through nebulin. Science, 375, 2022
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6ZYL
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![BU of 6zyl by Molmil](/molmil-images/mine/6zyl) | non-heme monooxygenase; ThoJ apo | Descriptor: | L(+)-TARTARIC ACID, Uncharacterized protein | Authors: | Koehnke, J, Sikandar, A. | Deposit date: | 2020-08-02 | Release date: | 2020-10-14 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Non-Heme Monooxygenase ThoJ Catalyzes Thioholgamide beta-Hydroxylation. Acs Chem.Biol., 15, 2020
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7ZLS
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![BU of 7zls by Molmil](/molmil-images/mine/7zls) | co-crystal structure of SOCS2:ElonginB:ElonginC in complex with compound 13 | Descriptor: | 1,2-ETHANEDIOL, Elongin-B, Elongin-C, ... | Authors: | Ramachandran, S, Ciulli, A, Makukhin, N. | Deposit date: | 2022-04-15 | Release date: | 2023-04-26 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Structure-based design of a phosphotyrosine-masked covalent ligand targeting the E3 ligase SOCS2. Nat Commun, 14, 2023
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5N13
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![BU of 5n13 by Molmil](/molmil-images/mine/5n13) | Second Bromodomain (BD2) from Candida albicans Bdf1 in the unbound form | Descriptor: | Bromodomain-containing factor 1, GLYCEROL | Authors: | Mietton, F, Ferri, E, Champlebouxm, M, Zala, N, Maubon, D, Zhou, Y, Harbut, M, Spittler, D, Garnaud, C, Courcon, M, Chauvel, M, d'Enfert, C, Kashemirov, B.A, Hull, M, Cornet, M, McKenna, C.E, Govin, J, Petosa, C. | Deposit date: | 2017-02-04 | Release date: | 2017-05-31 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Selective BET bromodomain inhibition as an antifungal therapeutic strategy. Nat Commun, 8, 2017
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4YF4
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8OHD
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![BU of 8ohd by Molmil](/molmil-images/mine/8ohd) | 60S ribosomal subunit bound to the E3-UFM1 complex - state 3 (native) | Descriptor: | 28S rRNA, 5.8S rRNA, 5S rRNA, ... | Authors: | Penchev, I, DaRosa, P.A, Becker, T, Beckmann, R, Kopito, R. | Deposit date: | 2023-03-21 | Release date: | 2024-02-21 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | UFM1 E3 ligase promotes recycling of 60S ribosomal subunits from the ER. Nature, 627, 2024
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4YWM
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7BBI
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![BU of 7bbi by Molmil](/molmil-images/mine/7bbi) | Joint X-ray/neutron room temperature structure of H/D-exchanged PLL lectin | Descriptor: | PLL lectin | Authors: | Gajdos, L, Blakeley, M.P, Kumar, A, Wimmerova, M, Haertlein, M, Forsyth, V.T, Imberty, A, Devos, J.M. | Deposit date: | 2020-12-17 | Release date: | 2021-03-17 | Last modified: | 2024-05-01 | Method: | NEUTRON DIFFRACTION (1.7 Å), X-RAY DIFFRACTION | Cite: | Visualization of hydrogen atoms in a perdeuterated lectin-fucose complex reveals key details of protein-carbohydrate interactions. Structure, 29, 2021
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5JS9
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![BU of 5js9 by Molmil](/molmil-images/mine/5js9) | Uncleaved prefusion optimized gp140 trimer with an engineered 8-residue HR1 turn bound to broadly neutralizing antibodies 8ANC195 and PGT128 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Kong, L, Wilson, I.A. | Deposit date: | 2016-05-07 | Release date: | 2016-07-13 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (6.918 Å) | Cite: | Uncleaved prefusion-optimized gp140 trimers derived from analysis of HIV-1 envelope metastability. Nat Commun, 7, 2016
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8DHY
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![BU of 8dhy by Molmil](/molmil-images/mine/8dhy) | N-terminal fragment of MsbA fused to GFP in complex with copper(II) | Descriptor: | COPPER (II) ION, Fusion protein of MsbA N-terminal fragment and GFP,Green fluorescent protein | Authors: | Schrecke, S.R, Zhang, T, Lyu, J, Laganowsky, A. | Deposit date: | 2022-06-28 | Release date: | 2022-12-07 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structural basis for lipid and copper regulation of the ABC transporter MsbA. Nat Commun, 13, 2022
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8UFO
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8UCI
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![BU of 8uci by Molmil](/molmil-images/mine/8uci) | Thermophilic RNA Ligase from Palaeococcus pacificus K238G + AMP | Descriptor: | ADENOSINE MONOPHOSPHATE, ATP dependent DNA ligase, GLYCEROL, ... | Authors: | Rousseau, M.D, Hicks, J.L, Oulavallickal, T, Williamson, A, Arcus, V.L, Patrick, M.W. | Deposit date: | 2023-09-26 | Release date: | 2024-02-21 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Characterisation and engineering of a thermophilic RNA ligase from Palaeococcus pacificus. Nucleic Acids Res., 52, 2024
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5NIU
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![BU of 5niu by Molmil](/molmil-images/mine/5niu) | Structure of human Programmed cell death 1 ligand 1 (PD-L1) with low molecular mass inhibitor | Descriptor: | (2~{R})-2-[[2-[(3-cyanophenyl)methoxy]-4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-phenyl]methoxy]-5-methyl-phenyl]methylamino]-3-oxidanyl-propanoic acid, 1,2-ETHANEDIOL, Programmed cell death 1 ligand 1 | Authors: | Zak, K.M, Grudnik, P, Skalniak, L, Dubin, G, Holak, T.A. | Deposit date: | 2017-03-27 | Release date: | 2017-12-06 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Small-molecule inhibitors of PD-1/PD-L1 immune checkpoint alleviate the PD-L1-induced exhaustion of T-cells. Oncotarget, 8, 2017
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8UCG
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![BU of 8ucg by Molmil](/molmil-images/mine/8ucg) | Thermophilic RNA Ligase from Palaeococcus pacificus K92A | Descriptor: | ATP dependent DNA ligase, GLYCEROL, MAGNESIUM ION, ... | Authors: | Rousseau, M.D, Hicks, J.L, Oulavallickal, T, Williamson, A, Arcus, V.L, Patrick, M.W. | Deposit date: | 2023-09-26 | Release date: | 2024-02-21 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Characterisation and engineering of a thermophilic RNA ligase from Palaeococcus pacificus. Nucleic Acids Res., 52, 2024
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4YGN
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![BU of 4ygn by Molmil](/molmil-images/mine/4ygn) | NaI--Interactions between Hofmeister Anions and the Binding Pocket of a Protein | Descriptor: | Carbonic anhydrase 2, IODIDE ION, ZINC ION | Authors: | Fox, J.M, Kang, K, Sherman, W, Heroux, A, Sastry, G.M, Baghbanzadeh, M, Lockett, M.R, Whitesides, G.M. | Deposit date: | 2015-02-26 | Release date: | 2015-03-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.23 Å) | Cite: | Interactions between Hofmeister Anions and the Binding Pocket of a Protein. J.Am.Chem.Soc., 137, 2015
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7ZS7
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![BU of 7zs7 by Molmil](/molmil-images/mine/7zs7) | Crystal structure of human cathepsin L with covalently bound calpain inhibitor VI | Descriptor: | (2S)-2-[(4-fluorophenyl)sulfonylamino]-3-methyl-N-[(2S)-4-methyl-1-oxidanyl-pentan-2-yl]butanamide, ACETATE ION, Cathepsin L, ... | Authors: | Falke, S, Lieske, J, Guenther, S, Reinke, P.Y.A, Ewert, W, Loboda, J, Karnicar, K, Usenik, A, Lindic, N, Sekirnik, A, Chapman, H.N, Hinrichs, W, Turk, D, Meents, A. | Deposit date: | 2022-05-06 | Release date: | 2023-05-17 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural Elucidation and Antiviral Activity of Covalent Cathepsin L Inhibitors. J.Med.Chem., 2024
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6VQD
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![BU of 6vqd by Molmil](/molmil-images/mine/6vqd) | HLA-B*27:05 presenting an HIV-1 8mer peptide | Descriptor: | 8-mer peptide, Beta-2-microglobulin, GLYCEROL, ... | Authors: | Pymm, P, Tenzer, S, Wee, E, Weimershaus, M, Burgevin, A, Kollnberger, S, Gerstoft, J, Josephs, T.M, Ladell, K, Mclaren, J.E, Appay, V, Price, D.A, Fugger, L, Bell, J.I, Hansjorg, S, Van Endert, P, Harkiolaki, M, Iversen, A.K.N. | Deposit date: | 2020-02-05 | Release date: | 2021-02-10 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Epitope length variants balance protective immune responses and viral escape in HIV-1 infection Cell Rep, 38, 2022
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3J7Z
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![BU of 3j7z by Molmil](/molmil-images/mine/3j7z) | Structure of the E. coli 50S subunit with ErmCL nascent chain | Descriptor: | 23S rRNA, 50S ribosomal protein L10, 50S ribosomal protein L11, ... | Authors: | Arenz, S, Meydan, S, Starosta, A.L, Berninghausen, O, Beckmann, R, Vazquez-Laslop, N, Wilson, D.N. | Deposit date: | 2014-08-27 | Release date: | 2014-10-22 | Last modified: | 2018-07-18 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Drug Sensing by the Ribosome Induces Translational Arrest via Active Site Perturbation. Mol.Cell, 56, 2014
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6VQY
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![BU of 6vqy by Molmil](/molmil-images/mine/6vqy) | HLA-B*27:05 presenting an HIV-1 7mer peptide | Descriptor: | 7-mer peptide, ARGININE, Beta-2-microglobulin, ... | Authors: | Pymm, P, Tenzer, S, Wee, E, Weimershaus, M, Burgevin, A, Kollnberger, S, Gerstoft, J, Josephs, T.M, Ladell, K, Mclaren, J.E, Appay, V, Price, D.A, Fugger, L, Bell, J.I, Hansjorg, S, Van Endert, P, Harkiolaki, M, Iversen, A.K.N. | Deposit date: | 2020-02-06 | Release date: | 2021-02-10 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | Epitope length variants balance protective immune responses and viral escape in HIV-1 infection Cell Rep, 38, 2022
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6FQS
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![BU of 6fqs by Molmil](/molmil-images/mine/6fqs) | 3.11A complex of S.Aureus gyrase with imidazopyrazinone T3 and DNA | Descriptor: | 5-cyclopropyl-8-fluoranyl-7-pyridin-4-yl-imidazo[1,2-a]quinoxalin-4-one, DNA (5'-D(*GP*AP*GP*AP*GP*TP*AP*T*GP*GP*CP*CP*AP*TP*AP*CP*TP*CP*TP*T)-3'), DNA gyrase subunit A, ... | Authors: | Bax, B.D, Germe, T, Basque, E, Maxwell, A. | Deposit date: | 2018-02-14 | Release date: | 2018-04-04 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.11 Å) | Cite: | A new class of antibacterials, the imidazopyrazinones, reveal structural transitions involved in DNA gyrase poisoning and mechanisms of resistance. Nucleic Acids Res., 46, 2018
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8UCE
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![BU of 8uce by Molmil](/molmil-images/mine/8uce) | Thermophilic RNA Ligase from Palaeococcus pacificus + AMP | Descriptor: | ADENOSINE MONOPHOSPHATE, ATP dependent DNA ligase, GLYCEROL, ... | Authors: | Rousseau, M.D, Hicks, J.L, Oulavallickal, T, Williamson, A, Arcus, V.L, Patrick, M.W. | Deposit date: | 2023-09-26 | Release date: | 2024-02-21 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Characterisation and engineering of a thermophilic RNA ligase from Palaeococcus pacificus. Nucleic Acids Res., 52, 2024
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6VQZ
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![BU of 6vqz by Molmil](/molmil-images/mine/6vqz) | HLA-B*27:05 presenting an HIV-1 6mer peptide | Descriptor: | 6-mer peptide, ARGININE, Beta-2-microglobulin, ... | Authors: | Pymm, P, Tenzer, S, Wee, E, Weimershaus, M, Burgevin, A, Kollnberger, S, Gerstoft, J, Josephs, T.M, Ladell, K, Mclaren, J.E, Appay, V, Price, D.A, Fugger, L, Bell, J.I, Hansjorg, S, Van Endert, P, Harkiolaki, M, Iversen, A.K.N. | Deposit date: | 2020-02-06 | Release date: | 2021-02-10 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Epitope length variants balance protective immune responses and viral escape in HIV-1 infection Cell Rep, 38, 2022
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7BLE
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![BU of 7ble by Molmil](/molmil-images/mine/7ble) | Co-crystal structure of Human Nicotinamide N-methyltransferase (NNMT) with the tricyclic inhibitor (3) | Descriptor: | 3-ethyl-1,3-diazatricyclo[6.3.1.0^{4,12}]dodeca-4,6,8(12)-trien-2-imine, Nicotinamide N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Schreuder, H.A, Liesum, A. | Deposit date: | 2021-01-18 | Release date: | 2021-03-17 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.809 Å) | Cite: | Novel Inhibitors of Nicotinamide- N -Methyltransferase for the Treatment of Metabolic Disorders. Molecules, 26, 2021
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7TQ4
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![BU of 7tq4 by Molmil](/molmil-images/mine/7tq4) | Structure of SARS-CoV-2 3CL protease in complex with the cyclopropane based inhibitor 6c | Descriptor: | 3C-like proteinase, N~2~-({[(1R,2R)-2-(3-chlorophenyl)cyclopropyl]methoxy}carbonyl)-N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide | Authors: | Lovell, S, Battaile, K.P, Nguyen, H.N, Chamandi, S.D, Picard, H.R, Madden, T.K, Thruman, H.A, Kim, Y, Groutas, W.C, Chang, K.O. | Deposit date: | 2022-01-26 | Release date: | 2022-06-22 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Broad-Spectrum Cyclopropane-Based Inhibitors of Coronavirus 3C-like Proteases: Biochemical, Structural, and Virological Studies. Acs Pharmacol Transl Sci, 6, 2023
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8G5E
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![BU of 8g5e by Molmil](/molmil-images/mine/8g5e) | Crystal Structure of SETDB1 Tudor domain in complex with UNC6535 | Descriptor: | Histone-lysine N-methyltransferase SETDB1, N~4~-[6-(dimethylamino)hexyl]-N~2~-[5-(dimethylamino)pentyl]-6,7-dimethoxyquinazoline-2,4-diamine, UNKNOWN ATOM OR ION | Authors: | Beldar, S, Dong, A, Brown, P.J, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | Deposit date: | 2023-02-13 | Release date: | 2023-02-22 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Crystal Structure of SETDB1 Tudor domain in complex with UNC6535 To be published
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