8EWY
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![BU of 8ewy by Molmil](/molmil-images/mine/8ewy) | Structure of Janus Kinase (JAK) dimer complexed with cytokine receptor intracellular domain | Descriptor: | ADENOSINE, ADENOSINE-5'-DIPHOSPHATE, Interferon lambda receptor 1, ... | Authors: | Caveney, N.A, Saxton, R.A, Waghray, D, Garcia, K.C. | Deposit date: | 2022-10-24 | Release date: | 2023-03-08 | Last modified: | 2023-03-22 | Method: | ELECTRON MICROSCOPY (5.5 Å) | Cite: | Structural basis of Janus kinase trans-activation. Cell Rep, 42, 2023
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8TCG
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![BU of 8tcg by Molmil](/molmil-images/mine/8tcg) | Integrin alpha-v beta-6 in complex with minibinder B6_BP_dslf | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Integrin alpha-V heavy chain, ... | Authors: | Campbell, M.G, Fernandez, A, Roy, A, Kraft, J, Baker, D. | Deposit date: | 2023-06-30 | Release date: | 2023-09-27 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | De novo design of highly selective miniprotein inhibitors of integrins alpha v beta 6 and alpha v beta 8. Nat Commun, 14, 2023
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8TB7
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![BU of 8tb7 by Molmil](/molmil-images/mine/8tb7) | Cryo-EM Structure of GPR61- | Descriptor: | 6-{[(3,5-difluoropyridin-4-yl)methyl]amino}-N-(4-ethoxy-6-methylpyrimidin-2-yl)-2-methoxy-N-(2-methoxyethyl)pyridine-3-sulfonamide, Fab hinge-binding nanobody, Fab24 BAK5 heavy chain, ... | Authors: | Lees, J.A, Dias, J.M, Han, S. | Deposit date: | 2023-06-28 | Release date: | 2023-10-04 | Method: | ELECTRON MICROSCOPY (2.94 Å) | Cite: | An inverse agonist of orphan receptor GPR61 acts by a G protein-competitive allosteric mechanism. Nat Commun, 14, 2023
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6ME4
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![BU of 6me4 by Molmil](/molmil-images/mine/6me4) | XFEL crystal structure of human melatonin receptor MT1 in complex with 2-iodomelatonin | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, N-[2-(2-iodo-5-methoxy-1H-indol-3-yl)ethyl]acetamide, ... | Authors: | Stauch, B, Johansson, L.C, McCorvy, J.D, Patel, N, Han, G.W, Gati, C, Batyuk, A, Ishchenko, A, Brehm, W, White, T.A, Michaelian, N, Madsen, C, Zhu, L, Grant, T.D, Grandner, J.M, Olsen, R.H.J, Tribo, A.R, Weierstall, U, Roth, B.L, Katritch, V, Liu, W, Cherezov, V. | Deposit date: | 2018-09-05 | Release date: | 2019-04-24 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structural basis of ligand recognition at the human MT1melatonin receptor. Nature, 569, 2019
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8TB0
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![BU of 8tb0 by Molmil](/molmil-images/mine/8tb0) | Cryo-EM Structure of GPR61-G protein complex stabilized by scFv16 | Descriptor: | GPR61 fused to dominant negative G alpha S/I N18 chimera, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | Authors: | Lees, J.A, Dias, J.M, Han, S. | Deposit date: | 2023-06-28 | Release date: | 2023-10-04 | Method: | ELECTRON MICROSCOPY (3.47 Å) | Cite: | An inverse agonist of orphan receptor GPR61 acts by a G protein-competitive allosteric mechanism. Nat Commun, 14, 2023
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7SCO
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![BU of 7sco by Molmil](/molmil-images/mine/7sco) | Structure of H1 influenza hemagglutinin bound to Fab 310-39G10 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 310-39G10 Fab, ... | Authors: | Torrents de la Pena, A, Ward, A.B. | Deposit date: | 2021-09-28 | Release date: | 2022-08-24 | Last modified: | 2022-09-28 | Method: | ELECTRON MICROSCOPY (3.37 Å) | Cite: | Allelic polymorphism controls autoreactivity and vaccine elicitation of human broadly neutralizing antibodies against influenza virus. Immunity, 55, 2022
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5LUM
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![BU of 5lum by Molmil](/molmil-images/mine/5lum) | Alpha-crystallin domain of human HSPB6 patched with its N-terminal peptide | Descriptor: | Heat shock protein beta-6, SULFATE ION | Authors: | Sluchanko, N.N, Beelen, S, Kulikova, A.A, Weeks, S.D, Antson, A.A, Gusev, N.B, Strelkov, S.V. | Deposit date: | 2016-09-09 | Release date: | 2017-02-01 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural Basis for the Interaction of a Human Small Heat Shock Protein with the 14-3-3 Universal Signaling Regulator. Structure, 25, 2017
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8TP3
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![BU of 8tp3 by Molmil](/molmil-images/mine/8tp3) | H1 hemagglutinin (NC99) in complex with RBS-targeting Fab 1-1-1F05 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of Fab 1-1-1F05, ... | Authors: | Yang, Y.R, Han, J, Perrett, H.R, Ward, A.B. | Deposit date: | 2023-08-04 | Release date: | 2023-10-11 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Immune memory shapes human polyclonal antibody responses to H2N2 vaccination. Biorxiv, 2023
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6OC7
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![BU of 6oc7 by Molmil](/molmil-images/mine/6oc7) | HMP42 Fab in complex with Protein G | Descriptor: | Heavy chain of HMP42 Fab, Immunoglobulin G-binding protein G, Light chain for HMP42 Fab | Authors: | Bernard, S.M, Wilson, I.A. | Deposit date: | 2019-03-22 | Release date: | 2020-02-05 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.296 Å) | Cite: | A generalized HIV vaccine design strategy for priming of broadly neutralizing antibody responses. Science, 366, 2019
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8TPA
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![BU of 8tpa by Molmil](/molmil-images/mine/8tpa) | H1 hemagglutinin (NC99) in complex with medial-junction-targeting Fab 2-2-1G06 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of Fab 2-2-1G06, ... | Authors: | Yang, Y.R, Han, J, Perrett, H.R, Ward, A.B. | Deposit date: | 2023-08-04 | Release date: | 2023-10-11 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Immune memory shapes human polyclonal antibody responses to H2N2 vaccination. Biorxiv, 2023
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5LW2
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![BU of 5lw2 by Molmil](/molmil-images/mine/5lw2) | Crystal structure of DARPin 5m3_D12 | Descriptor: | ACETATE ION, DARPin_5m3_D12 | Authors: | Batyuk, A, Wu, Y, Plueckthun, A. | Deposit date: | 2016-09-15 | Release date: | 2017-09-06 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Rigidly connected multispecific artificial binders with adjustable geometries. Sci Rep, 7, 2017
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7SCN
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![BU of 7scn by Molmil](/molmil-images/mine/7scn) | |
8P33
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![BU of 8p33 by Molmil](/molmil-images/mine/8p33) | BB0238 from Borrelia burgdorferi | Descriptor: | BB0238 | Authors: | Brangulis, K, Foor, S.D, Shakya, A.K, Rana, V.S, Bista, S, Kitsou, C, Ronzetti, M, Linden, S.B, Altieri, A.S, Akopjana, I, Baljinnyam, B, Nelson, D.C, Simeonov, A, Herzberg, O, Caimano, M.J, Pal, U. | Deposit date: | 2023-05-16 | Release date: | 2023-10-11 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A unique borrelial protein facilitates microbial immune evasion. Mbio, 14, 2023
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7A3V
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![BU of 7a3v by Molmil](/molmil-images/mine/7a3v) | tRNA-guanine transglycosylase C158S/C281S/Y330C/H333A mutant in complex with 3-hydroxysulfolane | Descriptor: | 1,2-ETHANEDIOL, 3-hydroxythietane-1,1-dioxide, GLYCEROL, ... | Authors: | Nguyen, D, Heine, A, Klebe, G. | Deposit date: | 2020-08-18 | Release date: | 2021-06-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Targeting a Cryptic Pocket in a Protein-Protein Contact by Disulfide-Induced Rupture of a Homodimeric Interface. Acs Chem.Biol., 16, 2021
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7PQ8
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![BU of 7pq8 by Molmil](/molmil-images/mine/7pq8) | Crystal structure of Campylobacter jejuni DsbA1 | Descriptor: | TETRAETHYLENE GLYCOL, Thiol:disulfide interchange protein DsbA | Authors: | Orlikowska, M, Bocian-Ostrzycka, K.M, Banas, A.M, Jagusztyn-Krynicka, E.K. | Deposit date: | 2021-09-16 | Release date: | 2021-12-29 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.329 Å) | Cite: | Interplay between DsbA1, DsbA2 and C8J_1298 Periplasmic Oxidoreductases of Campylobacter jejuni and Their Impact on Bacterial Physiology and Pathogenesis. Int J Mol Sci, 22, 2021
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6ZW8
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![BU of 6zw8 by Molmil](/molmil-images/mine/6zw8) | Isopenicillin N synthase in complex with Cd and ACV. | Descriptor: | CADMIUM ION, GLYCEROL, Isopenicillin N synthase, ... | Authors: | Rabe, P, Kamps, J.J.A.G, Sutherlin, K, Pharm, C, McDonough, M.A, Leissing, T.M, Aller, P, Butryn, A, Linyard, J, Lang, P, Brem, J, Fuller, F.D, Batyuk, A, Hunter, M.S, Pettinati, I, Clifton, I.J, Alonso-Mori, R, Gul, S, Young, I, Kim, I, Bhowmick, A, ORiordan, L, Brewster, A.S, Claridge, T.D.W, Sauter, N.K, Yachandra, V, Yano, J, Kern, J.F, Orville, A.M, Schofield, C.J. | Deposit date: | 2020-07-27 | Release date: | 2021-06-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.22 Å) | Cite: | X-ray free-electron laser studies reveal correlated motion during isopenicillin N synthase catalysis. Sci Adv, 7, 2021
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7A4X
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![BU of 7a4x by Molmil](/molmil-images/mine/7a4x) | tRNA-guanine transglycosylase C158S/C281S/Y330C/H333A mutant in complex with dimethyl sulfoxide | Descriptor: | 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Nguyen, D, Nguyen, T.X.P, Heine, A, Klebe, G. | Deposit date: | 2020-08-20 | Release date: | 2021-06-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Targeting a Cryptic Pocket in a Protein-Protein Contact by Disulfide-Induced Rupture of a Homodimeric Interface. Acs Chem.Biol., 16, 2021
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8TP5
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![BU of 8tp5 by Molmil](/molmil-images/mine/8tp5) | H1 hemagglutinin (NC99) in complex with RBS-targeting Fab 1-1-1E04 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of Fab 1-1-1E04, ... | Authors: | Yang, Y.R, Han, J, Perrett, H.R, Ward, A.B. | Deposit date: | 2023-08-04 | Release date: | 2023-10-11 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Immune memory shapes human polyclonal antibody responses to H2N2 vaccination. Biorxiv, 2023
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7ADN
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![BU of 7adn by Molmil](/molmil-images/mine/7adn) | apo tRNA-guanine transglycosylase C158S/C281S/Y330C/H333A mutant | Descriptor: | FORMIC ACID, GLYCEROL, Queuine tRNA-ribosyltransferase, ... | Authors: | Nguyen, D, You, S, Heine, A, Klebe, G. | Deposit date: | 2020-09-15 | Release date: | 2021-06-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Targeting a Cryptic Pocket in a Protein-Protein Contact by Disulfide-Induced Rupture of a Homodimeric Interface. Acs Chem.Biol., 16, 2021
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7NG7
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![BU of 7ng7 by Molmil](/molmil-images/mine/7ng7) | Src kinase bound to eCF506 trapped in inactive conformation | Descriptor: | 1,2-ETHANEDIOL, Proto-oncogene tyrosine-protein kinase Src, tert-butyl (4-(4-amino-1-(2-(4-(dimethylamino)piperidin-1-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenyl)carbamate | Authors: | Lietha, D, Unciti-Broceta, A. | Deposit date: | 2021-02-08 | Release date: | 2021-09-15 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | A Conformation Selective Mode of Inhibiting SRC Improves Drug Efficacy and Tolerability. Cancer Res., 81, 2021
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5LDR
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![BU of 5ldr by Molmil](/molmil-images/mine/5ldr) | Crystal structure of a cold-adapted dimeric beta-D-galactosidase from Paracoccus sp. 32d strain in complex with galactose | Descriptor: | ACETATE ION, Beta-D-galactosidase, CHLORIDE ION, ... | Authors: | Rutkiewicz-Krotewicz, M, Bujacz, A, Pietrzyk, A.J, Sekula, B, Bujacz, G. | Deposit date: | 2016-06-27 | Release date: | 2016-09-14 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | Structural studies of a cold-adapted dimeric beta-D-galactosidase from Paracoccus sp. 32d. Acta Crystallogr D Struct Biol, 72, 2016
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7A3X
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![BU of 7a3x by Molmil](/molmil-images/mine/7a3x) | tRNA-guanine transglycosylase C158S/C281S/Y330C/H333A mutant in complex with sulfolane | Descriptor: | GLYCEROL, Queuine tRNA-ribosyltransferase, ZINC ION, ... | Authors: | Nguyen, D, Heine, A, Klebe, G. | Deposit date: | 2020-08-18 | Release date: | 2021-06-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Targeting a Cryptic Pocket in a Protein-Protein Contact by Disulfide-Induced Rupture of a Homodimeric Interface. Acs Chem.Biol., 16, 2021
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6OJ2
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![BU of 6oj2 by Molmil](/molmil-images/mine/6oj2) | Crystal structure of tRNA^ Ala(GGC) bound to the near-cognate 70S A-site | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | Authors: | Nguyen, H.A, Sunita, S, Dunham, C.M. | Deposit date: | 2019-04-10 | Release date: | 2020-06-24 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Disruption of evolutionarily correlated tRNA elements impairs accurate decoding. Proc.Natl.Acad.Sci.USA, 117, 2020
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8P32
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![BU of 8p32 by Molmil](/molmil-images/mine/8p32) | BB0238 from Borrelia burgdorferi, Se-Met data for Leu240Met mutant | Descriptor: | BB0238 | Authors: | Brangulis, K, Foor, S.D, Shakya, A.K, Rana, V.S, Bista, S, Kitsou, C, Ronzetti, M, Linden, S.B, Altieri, A.S, Akopjana, I, Baljinnyam, B, Nelson, D.C, Simeonov, A, Herzberg, O, Caimano, M.J, Pal, U. | Deposit date: | 2023-05-16 | Release date: | 2023-10-11 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | A unique borrelial protein facilitates microbial immune evasion. Mbio, 14, 2023
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7A6D
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![BU of 7a6d by Molmil](/molmil-images/mine/7a6d) | tRNA-guanine transglycosylase C158S/C281S/Y330C/H333A mutant in complex with rac-trans-4,4-difluorocyclopentane-1,2-diol | Descriptor: | (1~{R},2~{R})-4,4-bis(fluoranyl)cyclopentane-1,2-diol, 1,2-ETHANEDIOL, GLYCEROL, ... | Authors: | Nguyen, D, Heine, A, Klebe, G. | Deposit date: | 2020-08-25 | Release date: | 2021-06-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Targeting a Cryptic Pocket in a Protein-Protein Contact by Disulfide-Induced Rupture of a Homodimeric Interface. Acs Chem.Biol., 16, 2021
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