8FE3
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![BU of 8fe3 by Molmil](/molmil-images/mine/8fe3) | Structure of dengue virus (DENV2) in complex with prM12, an anti-PrM monoclonal antibody | Descriptor: | Envelope protein E, prM protein, prM12 Fab Heavy Chain, ... | Authors: | Dowd, A.D, Sirohi, D, Speer, S, Mukherjee, S, Govero, J, Aleshnick, M, Larman, B, Sukupolvi-Petty, S, Sevvana, M, Miller, A.S, Klose, T, Zheng, A, Kielian, M, Kuhn, R.J, Diamond, M.S, Pierson, T.C. | Deposit date: | 2022-12-05 | Release date: | 2023-02-01 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (10.2 Å) | Cite: | prM-reactive antibodies reveal a role for partially mature virions in dengue virus pathogenesis. Proc.Natl.Acad.Sci.USA, 120, 2023
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5KSS
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![BU of 5kss by Molmil](/molmil-images/mine/5kss) | Stationary phase survival protein E (SurE) from Xylella fastidiosa - XFSurE-Ds (Dimer Smaller) | Descriptor: | 5'-nucleotidase SurE, CHLORIDE ION, IODIDE ION, ... | Authors: | Machado, A.T.P, Fonseca, E.M.B, Dos Reis, M.A, Saraiva, A.M, Dos Santos, C.A, De Toledo, A.M.S, Polikarpov, I, De Souza, A.P, Aparicio, R, Iulek, J. | Deposit date: | 2016-07-09 | Release date: | 2017-07-19 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.82 Å) | Cite: | Conformational variability of the stationary phase survival protein E from Xylella fastidiosa revealed by X-ray crystallography, small-angle X-ray scattering studies, and normal mode analysis. Proteins, 85, 2017
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5KST
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![BU of 5kst by Molmil](/molmil-images/mine/5kst) | Stationary phase Survival protein E (SurE) from Xylella fastidiosa- XfSurE-TSAmp (Tetramer Smaller - crystallization with 3'AMP). | Descriptor: | 5'-nucleotidase SurE, IODIDE ION, MANGANESE (II) ION, ... | Authors: | Machado, A.T.P, Fonseca, E.M.B, Dos Reis, M.A, Saraiva, A.M, Dos Santos, C.A, De Toledo, M.A.S, Polikarpov, I, De Souza, A.P, Aparicio, R, Iulek, J. | Deposit date: | 2016-07-09 | Release date: | 2017-07-19 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.759 Å) | Cite: | Conformational variability of the stationary phase survival protein E from Xylella fastidiosa revealed by X-ray crystallography, small-angle X-ray scattering studies, and normal mode analysis. Proteins, 85, 2017
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5KSQ
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![BU of 5ksq by Molmil](/molmil-images/mine/5ksq) | Stationary phase survival protein E (SurE) from Xylella fastidiosa | Descriptor: | 5'-nucleotidase SurE, IODIDE ION, MANGANESE (II) ION, ... | Authors: | Machado, A.T.P, Fonseca, E.M.B, Dos Reis, M.A, Saraiva, A.M, Dos Santos, C.A, De Toledo, M.A, Polikarpov, I, De Souza, A.P, Aparicio, R, Iulek, J. | Deposit date: | 2016-07-09 | Release date: | 2017-07-19 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.63 Å) | Cite: | Conformational variability of the stationary phase survival protein E from Xylella fastidiosa revealed by X-ray crystallography, small-angle X-ray scattering studies, and normal mode analysis. Proteins, 85, 2017
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5KSR
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![BU of 5ksr by Molmil](/molmil-images/mine/5ksr) | Stationary phase survival protein E (SurE) from Xylella fastidiosa - XFSurE-TB (Tetramer Bigger). | Descriptor: | 5'-nucleotidase SurE, CHLORIDE ION, IODIDE ION, ... | Authors: | Machado, A.T.P, Fonseca, E.M.B, Dos Reis, M.A, Saraiva, A.M, Dos Santos, C.A, De Toledo, M.A, Polikarpov, I, De Souza, A.P, De Aparicio, R, Iulek, J. | Deposit date: | 2016-07-09 | Release date: | 2017-07-19 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Conformational variability of the stationary phase survival protein E from Xylella fastidiosa revealed by X-ray crystallography, small-angle X-ray scattering studies, and normal mode analysis. Proteins, 85, 2017
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5OD5
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![BU of 5od5 by Molmil](/molmil-images/mine/5od5) | Periplasmic binding protein CeuE complexed with a synthetic catalyst | Descriptor: | 2,5,8,11,14,17,20,23-OCTAOXAPENTACOSAN-25-OL, 4-(aminomethyl)-~{N}-(pyridin-2-ylmethyl)benzenesulfonamide, Azotochelin, ... | Authors: | Duhme-Klair, A.K, Raines, D.J, Clarke, J.E, Blagova, E.V, Dodson, E.J, Wilson, K.S. | Deposit date: | 2017-07-04 | Release date: | 2018-08-01 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Redox-switchable siderophore anchor enables reversible artificial metalloenzyme assembly Nat Catal, 2018
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6WJ5
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![BU of 6wj5 by Molmil](/molmil-images/mine/6wj5) | Structure of human TRPA1 in complex with inhibitor GDC-0334 | Descriptor: | (4R,5S)-4-fluoro-1-[(4-fluorophenyl)sulfonyl]-5-methyl-N-({5-(trifluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyridin-4-yl}methyl)-L-prolinamide, Transient receptor potential cation channel subfamily A member 1 | Authors: | Rohou, A, Rouge, L, Arthur, C.P, Volgraf, M, Chen, H. | Deposit date: | 2020-04-11 | Release date: | 2021-02-17 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | A TRPA1 inhibitor suppresses neurogenic inflammation and airway contraction for asthma treatment. J.Exp.Med., 218, 2021
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5XQZ
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![BU of 5xqz by Molmil](/molmil-images/mine/5xqz) | Structure of the MOB1-NDR2 complex | Descriptor: | GLYCEROL, MOB kinase activator 1A, Serine/threonine-protein kinase 38-like, ... | Authors: | Wu, G, Lin, K. | Deposit date: | 2017-06-07 | Release date: | 2018-08-29 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Stable MOB1 interaction with Hippo/MST is not essential for development and tissue growth control. Nat Commun, 8, 2017
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8TV4
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![BU of 8tv4 by Molmil](/molmil-images/mine/8tv4) | NMR structure of temporin L in solution | Descriptor: | Temporin-1Tl peptide | Authors: | McShan, A.C, Jia, R, Halim, M.A. | Deposit date: | 2023-08-17 | Release date: | 2023-09-06 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Antiviral peptides inhibiting the main protease of SARS-CoV-2 investigated by computational screening and in vitro protease assay. J.Pept.Sci., 30, 2024
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8T3J
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![BU of 8t3j by Molmil](/molmil-images/mine/8t3j) | Crystal structure of native exfoliative toxin C (ExhC) from Mammaliicoccus sciuri | Descriptor: | Exfoliative toxin C | Authors: | Calil, F.A, Gismene, C, Hernandez Gonzalez, J.E, Ziem Nascimento, A.F, Santisteban, A.R.N, Arni, R.K, Barros Mariutti, R. | Deposit date: | 2023-06-07 | Release date: | 2023-11-08 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.705 Å) | Cite: | Necrotic activity of ExhC from Mammaliicoccus sciuri is mediated by specific amino acid residues. Int.J.Biol.Macromol., 254, 2024
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8T3I
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![BU of 8t3i by Molmil](/molmil-images/mine/8t3i) | Crystal structure of mutant exfoliative toxin C (ExhC) from Mammaliicoccus sciuri | Descriptor: | Exfoliative toxin C | Authors: | Gismene, C, Calil, F.A, Hernandez Gonzalez, J.E, Ziem Nascimento, A.F, Santisteban, A.R.N, Arni, R.K, Barros Mariutti, R. | Deposit date: | 2023-06-07 | Release date: | 2023-11-08 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Necrotic activity of ExhC from Mammaliicoccus sciuri is mediated by specific amino acid residues. Int.J.Biol.Macromol., 254, 2024
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1GK6
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![BU of 1gk6 by Molmil](/molmil-images/mine/1gk6) | Human vimentin coil 2B fragment linked to GCN4 leucine zipper (Z2B) | Descriptor: | VIMENTIN | Authors: | Strelkov, S.V, Herrmann, H, Geisler, N, Zimbelmann, R, Aebi, U, Burkhard, P. | Deposit date: | 2001-08-08 | Release date: | 2002-03-15 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Conserved Segments 1A and 2B of the Intermediate Filament Dimer: Their Atomic Structures and Role in Filament Assembly. Embo J., 21, 2002
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1GK4
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![BU of 1gk4 by Molmil](/molmil-images/mine/1gk4) | HUMAN VIMENTIN COIL 2B FRAGMENT (CYS2) | Descriptor: | ACETATE ION, VIMENTIN | Authors: | Strelkov, S.V, Herrmann, H, Geisler, N, Zimbelmann, R, Aebi, U, Burkhard, P. | Deposit date: | 2001-08-08 | Release date: | 2002-03-15 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Conserved Segments 1A and 2B of the Intermediate Filament Dimer: Their Atomic Structures and Role in Filament Assembly. Embo J., 21, 2002
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5F72
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![BU of 5f72 by Molmil](/molmil-images/mine/5f72) | De novo design and crystallographic validation of antibodies targeting a pre-selected epitope | Descriptor: | Kelch-like ECH-associated protein 1, Single chain Fv from a Fab | Authors: | Liu, X, Taylor, R.D, Griffin, L, Coker, S, Adams, R, Ceska, T, Shi, J, Lawson, A.D.G, Baker, T. | Deposit date: | 2015-12-07 | Release date: | 2016-12-14 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | De novo design and crystallographic validation of antibodies targeting a pre-selected epitope To Be Published
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5F1R
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![BU of 5f1r by Molmil](/molmil-images/mine/5f1r) | The Transcriptional Regulator PrfA from Listeria Monocytogenes in complex with a ring-fused 2-pyridone (C10) | Descriptor: | (3~{R})-8-cyclopropyl-7-(naphthalen-1-ylmethyl)-5-oxidanylidene-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid, Listeriolysin regulatory protein | Authors: | Begum, A, Grundstrom, C, Good, J.A.D, Andersson, C, ALmqvist, F, Johansson, J, Sauer, U.H, Sauer-Eriksson, A.E. | Deposit date: | 2015-11-30 | Release date: | 2016-03-16 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Attenuating Listeria monocytogenes Virulence by Targeting the Regulatory Protein PrfA. Cell Chem Biol, 23, 2016
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5FUO
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5FUZ
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5N9S
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![BU of 5n9s by Molmil](/molmil-images/mine/5n9s) | TTK kinase domain in complex with BAY 1161909 | Descriptor: | (2~{R})-2-(4-fluorophenyl)-~{N}-[4-[2-[(2-methoxy-4-methylsulfonyl-phenyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]propanamide, Dual specificity protein kinase TTK | Authors: | Uitdehaag, J, Willemsen-Seegers, N, de Man, J, Buijsman, R.C, Zaman, G.J.R. | Deposit date: | 2017-02-27 | Release date: | 2017-05-31 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Target Residence Time-Guided Optimization on TTK Kinase Results in Inhibitors with Potent Anti-Proliferative Activity. J. Mol. Biol., 429, 2017
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8FHY
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![BU of 8fhy by Molmil](/molmil-images/mine/8fhy) | Crystal structure of the SARS-CoV-2 receptor binding domain in complex with neutralizing antibody WRAIR-5021 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, MALONATE ION, ... | Authors: | Sankhala, R.S, Jensen, J.L, Joyce, M.G. | Deposit date: | 2022-12-15 | Release date: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | Diverse array of neutralizing antibodies elicited upon Spike Ferritin Nanoparticle vaccination in rhesus macaques. Nat Commun, 15, 2024
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8FI9
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![BU of 8fi9 by Molmil](/molmil-images/mine/8fi9) | Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing antibody WRAIR-5001 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Spike protein S1, ... | Authors: | Sankhala, R.S, Jensen, J.L, Joyce, M.G. | Deposit date: | 2022-12-15 | Release date: | 2024-01-17 | Method: | X-RAY DIFFRACTION (4.2 Å) | Cite: | Diverse array of neutralizing antibodies elicited upon Spike Ferritin Nanoparticle vaccination in rhesus macaques. Nat Commun, 15, 2024
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5NA0
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![BU of 5na0 by Molmil](/molmil-images/mine/5na0) | TTK kinase domain in complex with a PEG-linked pyrimido-indolizine | Descriptor: | Dual specificity protein kinase TTK, ~{N}-[3,5-diethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrazol-4-yl]-2-[[2-methoxy-4-[4-(2-methoxyethanoyl)piperazin-1-yl]phenyl]amino]-5,6-dihydropyrimido[4,5-e]indolizine-7-carboxamide | Authors: | Uitdehaag, J, Willemsen-Seegers, N, de Man, J, Buijsman, R.C, Zaman, G.J.R. | Deposit date: | 2017-02-27 | Release date: | 2017-05-31 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Target Residence Time-Guided Optimization on TTK Kinase Results in Inhibitors with Potent Anti-Proliferative Activity. J. Mol. Biol., 429, 2017
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3OCT
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3OCS
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![BU of 3ocs by Molmil](/molmil-images/mine/3ocs) | Crystal structure of bruton's tyrosine kinase in complex with inhibitor CGI1746 | Descriptor: | 4-tert-butyl-N-[2-methyl-3-(4-methyl-6-{[4-(morpholin-4-ylcarbonyl)phenyl]amino}-5-oxo-4,5-dihydropyrazin-2-yl)phenyl]benzamide, BETA-MERCAPTOETHANOL, SULFATE ION, ... | Authors: | Davies, D.R, Gallion, S.L, Staker, B.L. | Deposit date: | 2010-08-10 | Release date: | 2010-11-03 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A novel, specific Btk inhibitor antagonizes BCR and Fc[gamma]R signaling and suppresses inflammatory arthritis To be Published
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5N87
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![BU of 5n87 by Molmil](/molmil-images/mine/5n87) | TTK kinase domain in complex with NTRC 0066-0 | Descriptor: | 2,5,8,11-TETRAOXATRIDECANE, Dual specificity protein kinase TTK, SODIUM ION, ... | Authors: | Uitdehaag, J, Willemsen-Seegers, N, Sterrenburg, J.G, de Man, J, Buijsman, R.C, Zaman, G.J.R. | Deposit date: | 2017-02-23 | Release date: | 2017-05-31 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Target Residence Time-Guided Optimization on TTK Kinase Results in Inhibitors with Potent Anti-Proliferative Activity. J. Mol. Biol., 429, 2017
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5N7V
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![BU of 5n7v by Molmil](/molmil-images/mine/5n7v) | TTK kinase domain in complex with MPI-0479605 | Descriptor: | 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, Dual specificity protein kinase TTK, ~{N}6-cyclohexyl-~{N}2-(2-methyl-4-morpholin-4-yl-phenyl)-7~{H}-purine-2,6-diamine | Authors: | Uitdehaag, J, Willemsen-Seegers, N, Zaman, G.J.R. | Deposit date: | 2017-02-21 | Release date: | 2017-05-31 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.52 Å) | Cite: | Target Residence Time-Guided Optimization on TTK Kinase Results in Inhibitors with Potent Anti-Proliferative Activity. J. Mol. Biol., 429, 2017
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