6I85
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![BU of 6i85 by Molmil](/molmil-images/mine/6i85) | Influenza A nucleoprotein docked into the 3D helical structure of the wild type ribonucleoprotein complex obtained using cryoEM. Conformation 5. | Descriptor: | Influenza A nucleoprotein, Nucleoprotein | Authors: | Coloma, R, Arranz, R, de la Rosa-Trevin, J.M, Sorzano, C.O.S, Carlero, D, Ortin, J, Martin-Benito, J. | Deposit date: | 2018-11-19 | Release date: | 2020-01-29 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (24 Å) | Cite: | Structural insights into influenza A virus ribonucleoproteins reveal a processive helical track as transcription mechanism. Nat Microbiol, 5, 2020
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5A74
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![BU of 5a74 by Molmil](/molmil-images/mine/5a74) | Crystal structure of the homing endonuclease I-CvuI in complex with its target (Sro1.3) in the presence of 2 mM Mn | Descriptor: | 10MER DNA, 5'-D(*GP*AP*CP*GP*TP*TP*CP*TP*GP*AP)-3', 14MER DNA, ... | Authors: | Molina, R, Redondo, P, LopezMendez, B, Villate, M, Merino, N, Blanco, F.J, Valton, J, Grizot, S, Duchateau, P, Prieto, J, Montoya, G. | Deposit date: | 2015-07-02 | Release date: | 2015-09-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal Structure of the Homing Endonuclease I-Cvui Provides a New Template for Genome Modification J.Biol.Chem., 290, 2015
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5ZMA
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![BU of 5zma by Molmil](/molmil-images/mine/5zma) | Structural basis for an allosteric Eya2 phosphatase inhibitor | Descriptor: | 3-fluoro-N'-[(E)-{5-[(pyrimidin-2-yl)sulfanyl]furan-2-yl}methylidene]benzohydrazide, Eyes absent homolog 2 | Authors: | Anantharajan, J, Jansson, A.E, Kang, C. | Deposit date: | 2018-04-02 | Release date: | 2019-06-05 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.175 Å) | Cite: | Structural and Functional Analyses of an Allosteric EYA2 Phosphatase Inhibitor That Has On-Target Effects in Human Lung Cancer Cells. Mol.Cancer Ther., 18, 2019
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5ACA
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![BU of 5aca by Molmil](/molmil-images/mine/5aca) | Structure-based energetics of protein interfaces guide Foot-and-Mouth disease virus vaccine design | Descriptor: | VP1, VP2, VP3, ... | Authors: | Kotecha, A, Seago, J, Scott, K, Burman, A, Loureiro, S, Ren, J, Porta, C, Ginn, H.M, Jackson, T, Perez-Martin, E, Siebert, C.A, Paul, G, Huiskonen, J.T, Jones, I.M, Esnouf, R.M, Fry, E.E, Maree, F.F, Charleston, B, Stuart, D.I. | Deposit date: | 2015-08-14 | Release date: | 2015-09-23 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Structure-Based Energetics of Protein Interfaces Guide Foot-and-Mouth Disease Vaccine Design Nat.Struct.Mol.Biol., 22, 2015
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7T8C
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![BU of 7t8c by Molmil](/molmil-images/mine/7t8c) | Heptameric Human Twinkle Helicase Clinical Variant W315L | Descriptor: | Twinkle mtDNA helicase | Authors: | Riccio, A.A, Bouvette, J, Krahn, J, Borgnia, M.J, Copeland, W.C. | Deposit date: | 2021-12-16 | Release date: | 2022-07-27 | Last modified: | 2024-02-28 | Method: | ELECTRON MICROSCOPY (4.5 Å) | Cite: | Structural insight and characterization of human Twinkle helicase in mitochondrial disease. Proc.Natl.Acad.Sci.USA, 119, 2022
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7T8B
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![BU of 7t8b by Molmil](/molmil-images/mine/7t8b) | Octameric Human Twinkle Helicase Clinical Variant W315L | Descriptor: | Twinkle mtDNA helicase | Authors: | Riccio, A.A, Bouvette, J, Krahn, J, Borgnia, M.J, Copeland, W.C. | Deposit date: | 2021-12-16 | Release date: | 2022-07-27 | Last modified: | 2024-02-28 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Structural insight and characterization of human Twinkle helicase in mitochondrial disease. Proc.Natl.Acad.Sci.USA, 119, 2022
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2W6H
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![BU of 2w6h by Molmil](/molmil-images/mine/2w6h) | Low resolution structures of bovine mitochondrial F1-ATPase during controlled dehydration: Hydration State 4A. | Descriptor: | ATP SYNTHASE SUBUNIT ALPHA HEART ISOFORM, MITOCHONDRIAL, ATP SYNTHASE SUBUNIT BETA, ... | Authors: | Sanchez-Weatherby, J, Felisaz, F, Gobbo, A, Huet, J, Ravelli, R.B.G, Bowler, M.W, Cipriani, F. | Deposit date: | 2008-12-18 | Release date: | 2009-10-27 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (5 Å) | Cite: | Improving diffraction by humidity control: a novel device compatible with X-ray beamlines. Acta Crystallogr. D Biol. Crystallogr., 65, 2009
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6IFZ
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![BU of 6ifz by Molmil](/molmil-images/mine/6ifz) | Type III-A Csm complex, Cryo-EM structure of Csm-CTR2-ssDNA complex | Descriptor: | CTR2, Type III-A CRISPR-associated RAMP protein Csm3, Type III-A CRISPR-associated RAMP protein Csm4, ... | Authors: | You, L, Ma, J, Wang, J, Zhang, X, Wang, Y. | Deposit date: | 2018-09-21 | Release date: | 2018-12-12 | Last modified: | 2019-01-23 | Method: | ELECTRON MICROSCOPY (3.58 Å) | Cite: | Structure Studies of the CRISPR-Csm Complex Reveal Mechanism of Co-transcriptional Interference Cell, 176, 2019
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5AGD
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![BU of 5agd by Molmil](/molmil-images/mine/5agd) | An inactive (D125N) variant of the catalytic domain, BcGH76, of Bacillus circulans Aman6 in complex with alpha-1,6-mannopentaose | Descriptor: | ALPHA-1,6-MANNANASE, alpha-D-mannopyranose, alpha-D-mannopyranose-(1-6)-alpha-D-mannopyranose-(1-6)-alpha-D-mannopyranose-(1-6)-alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose | Authors: | Thompson, A.J, Speciale, G, Iglesias-Fernandez, J, Hakki, Z, Belz, T, Cartmell, A, Spears, R.J, Chandler, E, Temple, M.J, Stepper, J, Gilbert, H.J, Rovira, C, Williams, S.J, Davies, G.J. | Deposit date: | 2015-01-29 | Release date: | 2015-03-25 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Evidence for a Boat Conformation at the Transition State of Gh76 Alpha-1,6-Mannanases- Key Enzymes in Bacterial and Fungal Mannoprotein Metabolism Angew.Chem.Int.Ed.Engl., 54, 2015
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6IM1
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![BU of 6im1 by Molmil](/molmil-images/mine/6im1) | Crystal structure of a highly thermostable carbonic anhydrase from Persephonella marina EX-H1 | Descriptor: | CALCIUM ION, Carbonic anhydrase (Carbonate dehydratase), TETRAETHYLENE GLYCOL, ... | Authors: | Jin, M.S, Kim, S, Sung, J, Yeon, J, Choi, S.H. | Deposit date: | 2018-10-21 | Release date: | 2019-07-17 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structure of a Highly Thermostable alpha-Carbonic Anhydrase from Persephonella marina EX-H1. Mol.Cells, 42, 2019
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8HZR
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![BU of 8hzr by Molmil](/molmil-images/mine/8hzr) | Crystal structure of SARS-Cov-2 main protease S46F mutant in complex with PF07321332 | Descriptor: | (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5 | Authors: | Zeng, X.Y, Zhang, J, Li, J. | Deposit date: | 2023-01-09 | Release date: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Crystal structure of SARS-Cov-2 main protease
S46F mutant in complex with PF07321332 To Be Published
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5A0C
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![BU of 5a0c by Molmil](/molmil-images/mine/5a0c) | Crystal Structure of human neutrophil elastase in complex with a dihydropyrimidone inhibitor | Descriptor: | (6S)-6-(4-cyano-2-methylsulfonyl-phenyl)-4-methyl-2-oxidanylidene-3-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carbonitrile, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | vonNussbaum, F, Li, V.M.-J, Allerheiligen, S, Anlauf, S, Baerfacker, L, Bechem, M, Delbeck, M, Fitzgerald, M.F, Gerisch, M, Gielen-Haertwig, H, Haning, H, Karthaus, D, Lang, D, Lustig, K, Meibom, D, Mittendorf, J, Rosentreter, U, Schaefer, M, Schaefer, S, Schamberger, J, Telan, L.A, Tersteegen, A. | Deposit date: | 2015-04-17 | Release date: | 2015-08-19 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Freezing the Bioactive Conformation to Boost Potency: The Identification of BAY 85-8501, a Selective and Potent Inhibitor of Human Neutrophil Elastase for Pulmonary Diseases. ChemMedChem, 10, 2015
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3MGM
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![BU of 3mgm by Molmil](/molmil-images/mine/3mgm) | Crystal structure of human NUDT16 | Descriptor: | U8 snoRNA-decapping enzyme | Authors: | Yan, J, Lu, G, Zhang, J, Qi, J, Li, Z, Gao, F. | Deposit date: | 2010-04-07 | Release date: | 2011-04-20 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.801 Å) | Cite: | Crystal structure and the template mRNA decapping activity of human NUDT16 To be Published
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6HIL
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![BU of 6hil by Molmil](/molmil-images/mine/6hil) | |
7MX9
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![BU of 7mx9 by Molmil](/molmil-images/mine/7mx9) | |
8IQ6
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![BU of 8iq6 by Molmil](/molmil-images/mine/8iq6) | Cryo-EM structure of Latanoprost-bound prostaglandin-F2-alpha receptor-miniGq-Nb35 complex | Descriptor: | 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, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ... | Authors: | Lv, X, Gao, K, Nie, J, Zhang, X, Zhang, S, Ren, Y, Li, Q, Huang, J, Liu, L, Zhang, X, Sun, X, Zhang, W, Liu, X. | Deposit date: | 2023-03-15 | Release date: | 2024-01-31 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structures of human prostaglandin F 2 alpha receptor reveal the mechanism of ligand and G protein selectivity. Nat Commun, 14, 2023
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8IQ4
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![BU of 8iq4 by Molmil](/molmil-images/mine/8iq4) | Cryo-EM structure of Carboprost-bound prostaglandin-F2-alpha receptor-miniGq-Nb35 complex | Descriptor: | 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, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ... | Authors: | Lv, X, Gao, K, Nie, J, Zhang, X, Zhang, S, Ren, Y, Li, Q, Huang, J, Liu, L, Zhang, X, Sun, X, Zhang, W, Liu, X. | Deposit date: | 2023-03-15 | Release date: | 2024-01-31 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Structures of human prostaglandin F 2 alpha receptor reveal the mechanism of ligand and G protein selectivity. Nat Commun, 14, 2023
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5ABZ
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![BU of 5abz by Molmil](/molmil-images/mine/5abz) | Complex of the FimH lectin with a C-linked naphtyl alpha-D-mannoside in soaked trigonal crystals at 2.40 A resolution | Descriptor: | (2R,3S,4R,5S,6R)-2-(HYDROXYMETHYL)-6-[3-(NAPHTHALEN-1-YL)PROPYL]OXANE-3,4,5-TRIOL, FIMH, NICKEL (II) ION | Authors: | de Ruyck, J, Bouckaert, J. | Deposit date: | 2015-08-10 | Release date: | 2016-03-09 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structures of C-Mannosylated Anti-Adhesives Bound to the Type 1 Fimbrial Fimh Adhesin Iucrj, 3, 2016
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6B98
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![BU of 6b98 by Molmil](/molmil-images/mine/6b98) | PDE2 in complex with compound 1 | Descriptor: | 6-chloro-N,1-dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine, MAGNESIUM ION, ZINC ION, ... | Authors: | Lu, J. | Deposit date: | 2017-10-10 | Release date: | 2017-11-22 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | The identification of a novel lead class for phosphodiesterase 2 inhibition by fragment-based drug design. Bioorg. Med. Chem. Lett., 27, 2017
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1XWN
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![BU of 1xwn by Molmil](/molmil-images/mine/1xwn) | solution structure of cyclophilin like 1(PPIL1) and insights into its interaction with SKIP | Descriptor: | Peptidyl-prolyl cis-trans isomerase like 1 | Authors: | Xu, C, Xu, Y, Tang, Y, Wu, J, Shi, Y, Huang, Q, Zhang, Q. | Deposit date: | 2004-11-01 | Release date: | 2005-10-18 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Solution structure of human peptidyl prolyl isomerase like protein 1 and insights into its interaction with SKIP J.Biol.Chem., 281, 2006
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5A77
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![BU of 5a77 by Molmil](/molmil-images/mine/5a77) | Crystal structure of the homing endonuclease I-CvuI in complex with I- CreI target (C1221) in the presence of 2 mM Mg revealing DNA cleaved | Descriptor: | 10MER DNA, 5'-D(*GP*AP*CP*GP*TP*TP*TP*TP* GP*AP*DGP*AP*CP*GP*TP*TP*TP*TP*GP*A)-3', 14MER DNA, ... | Authors: | Molina, R, Redondo, P, LopezMendez, B, Villate, M, Merino, N, Blanco, F.J, Valton, J, Grizot, S, Duchateau, P, Prieto, J, Montoya, G. | Deposit date: | 2015-07-03 | Release date: | 2015-09-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal Structure of the Homing Endonuclease I-Cvui Provides a New Template for Genome Modification J.Biol.Chem., 290, 2015
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6US6
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![BU of 6us6 by Molmil](/molmil-images/mine/6us6) | Artificial Iron Proteins: Modelling the Active Sites in Non-Heme Dioxygenases | Descriptor: | ACETATE ION, Streptavidin, {N-(2-{bis[(pyridin-2-yl-kappaN)methyl]amino-kappaN}ethyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide}iron(3+) | Authors: | Miller, K.R, Paretsky, J.D, Follmer, A.H, Heinisch, T, Mittra, K, Gul, S, Kim, I.-S, Fuller, F.D, Batyuk, A, Sutherlin, K.D, Brewster, A.S, Bhowmick, A, Sauter, N.K, Kern, J, Yano, J, Green, M.T, Ward, T.R, Borovik, A.S. | Deposit date: | 2019-10-24 | Release date: | 2020-05-06 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Artificial Iron Proteins: Modeling the Active Sites in Non-Heme Dioxygenases. Inorg.Chem., 59, 2020
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6RMF
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![BU of 6rmf by Molmil](/molmil-images/mine/6rmf) | Crystal structure of NDM-1 with VNRX-5133 | Descriptor: | (10aR)-2-(((1r,4R)-4-((2-aminoethyl)amino)cyclohexyl)methyl)-6-carboxy-4-hydroxy-4,10a-dihydro-10H-benzo[5,6][1,2]oxaborinino[2,3-b][1,4,2]oxazaborol-4-uide, (4~{R})-4-[2-[4-(2-azanylethylamino)cyclohexyl]ethanoylamino]-3,3-bis(oxidanyl)-2-oxa-3-boranuidabicyclo[4.4.0]deca-1(10),6,8-triene-10-carboxylic acid, Metallo-beta-lactamase type 2, ... | Authors: | Hinchliffe, P, Spencer, J, Brem, J, Schofield, C.J. | Deposit date: | 2019-05-06 | Release date: | 2019-09-11 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | Bicyclic Boronate VNRX-5133 Inhibits Metallo- and Serine-beta-Lactamases. J.Med.Chem., 62, 2019
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2AOJ
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![BU of 2aoj by Molmil](/molmil-images/mine/2aoj) | Crystal structure analysis of HIV-1 protease with a substrate analog P6-PR | Descriptor: | ACETIC ACID, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Tie, Y, Boross, P.I, Wang, Y.F, Gaddis, L, Liu, F, Chen, X, Tozser, J, Harrison, R.W, Weber, I.T. | Deposit date: | 2005-08-12 | Release date: | 2006-01-17 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Molecular basis for substrate recognition and drug resistance from 1.1 to 1.6 angstroms resolution crystal structures of HIV-1 protease mutants with substrate analogs. Febs J., 272, 2005
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5ABJ
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![BU of 5abj by Molmil](/molmil-images/mine/5abj) | Structure of Coxsackievirus A16 in complex with GPP3 | Descriptor: | 1-[(3S)-5-[4-[(E)-ETHOXYIMINOMETHYL]PHENOXY]-3-METHYL-PENTYL]-3-PYRIDIN-4-YL-IMIDAZOLIDIN-2-ONE, CHLORIDE ION, SODIUM ION, ... | Authors: | De Colibus, L, Wang, X, Tijsma, A, Neyts, J, Spyrou, J.A.B, Ren, J, Grimes, J.M, Puerstinger, G, Leyssen, P, Fry, E.E, Rao, Z, Stuart, D.I. | Deposit date: | 2015-08-06 | Release date: | 2015-09-09 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Structure Elucidation of Coxsackievirus A16 in Complex with Gpp3 Informs a Systematic Review of Highly Potent Capsid Binders to Enteroviruses. Plos Pathog., 11, 2015
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