8OV8
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![BU of 8ov8 by Molmil](/molmil-images/mine/8ov8) | Crystal structure of Ene-reductase 1 from black poplar mushroom in complex to NADP | Descriptor: | Ene-reductase 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SODIUM ION, ... | Authors: | Korf, L, Essen, L.-O, Karrer, D, Ruehl, M. | Deposit date: | 2023-04-25 | Release date: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Shifting the substrate scope of an ene/yne-reductase by loop engineering To Be Published
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6O0I
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![BU of 6o0i by Molmil](/molmil-images/mine/6o0i) | NMR ensemble of computationally designed protein XAA | Descriptor: | Design construct XAA | Authors: | Wei, K.Y, Moschidi, D, Nerli, S, Sgourakis, N, Baker, D. | Deposit date: | 2019-02-16 | Release date: | 2020-04-22 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Computational design of closely related proteins that adopt two well-defined but structurally divergent folds. Proc.Natl.Acad.Sci.USA, 117, 2020
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3N5G
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![BU of 3n5g by Molmil](/molmil-images/mine/3n5g) | Crystal Structure of histidine-tagged human thymidylate synthase | Descriptor: | SULFATE ION, Thymidylate synthase | Authors: | Pozzi, C, Cardinale, D, Guaitoli, G, Tondi, D, Luciani, R, Myllykallio, H, Ferrari, S, Costi, M.P, Mangani, S. | Deposit date: | 2010-05-25 | Release date: | 2011-06-08 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Protein-protein interface-binding peptides inhibit the cancer therapy target human thymidylate synthase. Proc.Natl.Acad.Sci.USA, 108, 2011
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1YZ1
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![BU of 1yz1 by Molmil](/molmil-images/mine/1yz1) | |
1HUC
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![BU of 1huc by Molmil](/molmil-images/mine/1huc) | |
2Z6D
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![BU of 2z6d by Molmil](/molmil-images/mine/2z6d) | |
2Z6C
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![BU of 2z6c by Molmil](/molmil-images/mine/2z6c) | |
5E79
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![BU of 5e79 by Molmil](/molmil-images/mine/5e79) | Macromolecular diffractive imaging using imperfect crystals | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | Authors: | Ayyer, K, Yefanov, O, Oberthur, D, Roy-Chowdhury, S, Galli, L, Mariani, V, Basu, S, Coe, J, Conrad, C.E, Fromme, R, Schaffer, A, Dorner, K, James, D, Kupitz, C, Metz, M, Nelson, G, Xavier, P.L, Beyerlein, K.R, Schmidt, M, Sarrou, I, Spence, J.C.H, Weierstall, U, White, T.A, Yang, J.-H, Zhao, Y, Liang, M, Aquila, A, Hunter, M.S, Koglin, J.E, Boutet, S, Fromme, P, Barty, A, Chapman, H.N. | Deposit date: | 2015-10-12 | Release date: | 2017-02-08 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Macromolecular diffractive imaging using imperfect crystals. Nature, 530, 2016
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4XCG
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![BU of 4xcg by Molmil](/molmil-images/mine/4xcg) | Crystal structure of a hexadecameric TF55 complex from S. solfataricus, crystal form I | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Thermosome subunit alpha, Thermosome subunit beta | Authors: | Stewart, A.G, Smits, C, Chaston, J.J, Stock, D. | Deposit date: | 2014-12-18 | Release date: | 2016-02-10 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.737 Å) | Cite: | Structural and Functional Insights into the Evolution and Stress Adaptation of Type II Chaperonins. Structure, 24, 2016
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5EBZ
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![BU of 5ebz by Molmil](/molmil-images/mine/5ebz) | Crystal structure of human IKK1 | Descriptor: | 2,3-di-O-sulfo-alpha-D-glucopyranose-(1-6)-alpha-D-glucopyranose-(1-6)-2,4-di-O-sulfo-alpha-D-glucopyranose, 2-azanyl-5-phenyl-3-(4-sulfamoylphenyl)benzamide, Inhibitor of nuclear factor kappa-B kinase subunit alpha, ... | Authors: | Polley, S, Passos, D, Huang, D, Biswas, T, Verma, I, Lyumkis, D, Ghosh, G. | Deposit date: | 2015-10-20 | Release date: | 2016-11-02 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (4.5 Å) | Cite: | Structural Basis for the Activation of IKK1/ alpha. Cell Rep, 17, 2016
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5DUD
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![BU of 5dud by Molmil](/molmil-images/mine/5dud) | Crystal structure of E. coli YbgJK | Descriptor: | YbgJ, YbgK | Authors: | Arbing, M.A, Kaufmann, M, Shin, A, Medrano-Soto, A, Cascio, D, Eisenberg, D. | Deposit date: | 2015-09-18 | Release date: | 2016-09-28 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal Structure of E. coli YbgJK To Be Published
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4XCD
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![BU of 4xcd by Molmil](/molmil-images/mine/4xcd) | Crystal structure of an octadecameric TF55 complex from S. solfataricus | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Thermosome subunit beta | Authors: | Chaston, J.J, Stewart, A.G, Smits, C, Stock, D. | Deposit date: | 2014-12-17 | Release date: | 2016-02-10 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.79 Å) | Cite: | Structural and Functional Insights into the Evolution and Stress Adaptation of Type II Chaperonins. Structure, 24, 2016
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8U0T
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8U29
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![BU of 8u29 by Molmil](/molmil-images/mine/8u29) | Prefusion structure of the PRD-0038 spike glycoprotein ectodomain trimer | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, PRD-0038 Spike glycoprotein, ... | Authors: | Lee, J, Park, Y.J, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | Deposit date: | 2023-09-05 | Release date: | 2023-12-06 | Last modified: | 2023-12-27 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Broad receptor tropism and immunogenicity of a clade 3 sarbecovirus. Cell Host Microbe, 31, 2023
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5LKH
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![BU of 5lkh by Molmil](/molmil-images/mine/5lkh) | Cryo-EM structure of the Tc toxin TcdA1 in its pore state (obtained by flexible fitting) | Descriptor: | TcdA1 | Authors: | Gatsogiannis, C, Merino, F, Prumbaum, D, Roderer, D, Leidreiter, F, Meusch, D, Raunser, S. | Deposit date: | 2016-07-22 | Release date: | 2016-08-31 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (3.46 Å) | Cite: | Membrane insertion of a Tc toxin in near-atomic detail. Nat.Struct.Mol.Biol., 23, 2016
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5BRV
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![BU of 5brv by Molmil](/molmil-images/mine/5brv) | Catalytic Improvement of an Artificial Metalloenzyme by Computational Design | Descriptor: | Carbonic anhydrase 2, ZINC ION, pentamethylcyclopentadienyl iridium [N-benzensulfonamide-(2-pyridylmethyl-4-benzensulfonamide)amin] chloride | Authors: | Heinisch, T, Pellizzoni, M, Duerrenberger, M, Tinberg, C.E, Koehler, V, Klehr, J, Haeussinger, D, Baker, D, Ward, T.R. | Deposit date: | 2015-06-01 | Release date: | 2015-06-24 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Improving the Catalytic Performance of an Artificial Metalloenzyme by Computational Design. J.Am.Chem.Soc., 137, 2015
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2ZBK
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![BU of 2zbk by Molmil](/molmil-images/mine/2zbk) | Crystal structure of an intact type II DNA topoisomerase: insights into DNA transfer mechanisms | Descriptor: | RADICICOL, Type 2 DNA topoisomerase 6 subunit B, Type II DNA topoisomerase VI subunit A | Authors: | Graille, M, Cladiere, L, Durand, D, Lecointe, F, Forterre, P, van Tilbeurgh, H, Paris-Sud Yeast Structural Genomics (YSG) | Deposit date: | 2007-10-22 | Release date: | 2008-02-12 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3.56 Å) | Cite: | Crystal Structure of an Intact Type II DNA Topoisomerase: Insights into DNA Transfer Mechanisms Structure, 16, 2008
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8T5F
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![BU of 8t5f by Molmil](/molmil-images/mine/8t5f) | De novo design of high-affinity protein binders to bioactive helical peptides | Descriptor: | Parathyroid hormone | Authors: | Torres, S.V, Leung, P.J.Y, Bera, A.K, Baker, D, Kang, A. | Deposit date: | 2023-06-13 | Release date: | 2024-01-10 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | De novo design of high-affinity binders of bioactive helical peptides. Nature, 626, 2024
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8T5E
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![BU of 8t5e by Molmil](/molmil-images/mine/8t5e) | De novo design of high-affinity protein binders to bioactive helical peptides | Descriptor: | Bcl-2-like protein 11, Bim_fulldiff | Authors: | Torres, S.V, Leung, P.J.Y, Bera, A.K, Baker, D, Kang, A. | Deposit date: | 2023-06-13 | Release date: | 2024-01-10 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | De novo design of high-affinity binders of bioactive helical peptides. Nature, 626, 2024
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5EFQ
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![BU of 5efq by Molmil](/molmil-images/mine/5efq) | Crystal structure of human Cdk13/Cyclin K in complex with ADP-aluminum fluoride | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, Cyclin-K, ... | Authors: | Hoenig, D, Greifenberg, A.K, Anand, K, Geyer, M. | Deposit date: | 2015-10-24 | Release date: | 2015-12-30 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural and Functional Analysis of the Cdk13/Cyclin K Complex. Cell Rep, 14, 2016
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4XCI
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![BU of 4xci by Molmil](/molmil-images/mine/4xci) | Crystal structure of a hexadecameric TF55 complex from S. solfataricus, crystal form II | Descriptor: | Thermosome subunit alpha, Thermosome subunit beta | Authors: | Stewart, A.G, Chaston, J.J, Smits, C, Stock, D. | Deposit date: | 2014-12-18 | Release date: | 2016-02-10 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.0023 Å) | Cite: | Structural and Functional Insights into the Evolution and Stress Adaptation of Type II Chaperonins. Structure, 24, 2016
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1FCY
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![BU of 1fcy by Molmil](/molmil-images/mine/1fcy) | ISOTYPE SELECTIVITY OF THE HUMAN RETINOIC ACID NUCLEAR RECEPTOR HRAR: THE COMPLEX WITH THE RARBETA/GAMMA-SELECTIVE RETINOID CD564 | Descriptor: | 6-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRO-NAPHTALENE-2-CARBONYL)-NAPHTALENE-2-CARBOXYLIC ACID, DODECYL-ALPHA-D-MALTOSIDE, RETINOIC ACID RECEPTOR GAMMA-1 | Authors: | Klaholz, B.P, Mitschler, A, Moras, D, Structural Proteomics in Europe (SPINE) | Deposit date: | 2000-07-19 | Release date: | 2000-09-11 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Structural basis for isotype selectivity of the human retinoic acid nuclear receptor. J.Mol.Biol., 302, 2000
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1BAK
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8F5I
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![BU of 8f5i by Molmil](/molmil-images/mine/8f5i) | SARS-CoV-2 S2 helix epitope scaffold bound by antibody DH1057.1 | Descriptor: | DH1057.1 HC, DH1057.1 LC, Specialized acyl carrier protein, ... | Authors: | Kapingidza, A.B, Wrapp, D, Winters, K, Azoitei, M.L. | Deposit date: | 2022-11-14 | Release date: | 2023-10-11 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Engineered immunogens to elicit antibodies against conserved coronavirus epitopes. Nat Commun, 14, 2023
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2ZXZ
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![BU of 2zxz by Molmil](/molmil-images/mine/2zxz) | Crystal structure of the human RXR alpha ligand binding domain bound to a synthetic agonist compound and a coactivator peptide | Descriptor: | 4-[2-(1,1,3,3-tetramethyl-2,3-dihydro-1H-inden-5-yl)-1,3-dioxolan-2-yl]benzoic acid, GRIP1 from Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha | Authors: | Sato, Y, Antony, P, Rochel, N, Moras, D, Structural Genomics Consortium for Research on Gene Expression (SGCGES) | Deposit date: | 2009-01-09 | Release date: | 2009-08-11 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Silicon analogues of the RXR-selective retinoid agonist SR11237 (BMS649): chemistry and biology Chemmedchem, 4, 2009
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