6TRK
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![BU of 6trk by Molmil](/molmil-images/mine/6trk) | Phl p 6 fold stabilized mutant - S46Y | Descriptor: | Pollen allergen Phl p 6, ZINC ION | Authors: | Soh, W.T, Brandstetter, H. | Deposit date: | 2019-12-19 | Release date: | 2020-08-12 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | In silico Design of Phl p 6 Variants With Altered Fold-Stability Significantly Impacts Antigen Processing, Immunogenicity and Immune Polarization. Front Immunol, 11, 2020
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6WUS
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6WUR
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8AIW
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![BU of 8aiw by Molmil](/molmil-images/mine/8aiw) | Structure of the K5/CagI complex | Descriptor: | Cag pathogenicity island protein (Cag19), Designed Ankyrin Repeat Protein K5 | Authors: | Blanc, M, Guerin, J, Terradot, L. | Deposit date: | 2022-07-27 | Release date: | 2023-05-17 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Designed Ankyrin Repeat Proteins provide insights into the structure and function of CagI and are potent inhibitors of CagA translocation by the Helicobacter pylori type IV secretion system. Plos Pathog., 19, 2023
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8AK1
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![BU of 8ak1 by Molmil](/molmil-images/mine/8ak1) | Crystal structure of a CagI:K2 complex | Descriptor: | Cag pathogenicity island protein (Cag19), Designed Ankyrin Repeat Protein K2 | Authors: | Blanc, M, Guerin, J, Terradot, L. | Deposit date: | 2022-07-29 | Release date: | 2023-05-17 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Designed Ankyrin Repeat Proteins provide insights into the structure and function of CagI and are potent inhibitors of CagA translocation by the Helicobacter pylori type IV secretion system. Plos Pathog., 19, 2023
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8IYG
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![BU of 8iyg by Molmil](/molmil-images/mine/8iyg) | Human neuronal gap junction channel connexin 36 | Descriptor: | CHOLESTEROL HEMISUCCINATE, DODECYL-BETA-D-MALTOSIDE, Gap junction delta-2 protein | Authors: | Mao, W.X, Chen, S.S. | Deposit date: | 2023-04-04 | Release date: | 2024-04-10 | Method: | ELECTRON MICROSCOPY (2.69 Å) | Cite: | Assembly mechanisms of the neuronal gap junction channel connexin 36 elucidated by Cryo-EM. Arch.Biochem.Biophys., 754, 2024
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3DEE
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![BU of 3dee by Molmil](/molmil-images/mine/3dee) | |
6XRP
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6XRO
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7M2G
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![BU of 7m2g by Molmil](/molmil-images/mine/7m2g) | INTERLEUKIN-2 (human) mutant P65K, C125S | Descriptor: | GLYCEROL, Interleukin-2, SULFATE ION | Authors: | Ptacin, J.L, Milla, M.E, Steinbacher, S, Maskos, K, Thomsen, M. | Deposit date: | 2021-03-16 | Release date: | 2021-08-04 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | An engineered IL-2 reprogrammed for anti-tumor therapy using a semi-synthetic organism. Nat Commun, 12, 2021
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6IIU
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![BU of 6iiu by Molmil](/molmil-images/mine/6iiu) | Crystal structure of the human thromboxane A2 receptor bound to ramatroban | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3-[(3R)-3-[(4-fluorophenyl)sulfonylamino]-1,2,3,4-tetrahydrocarbazol-9-yl]propanoic acid, CHOLESTEROL, ... | Authors: | Fan, H, Zhao, Q, Wu, B. | Deposit date: | 2018-10-07 | Release date: | 2018-12-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural basis for ligand recognition of the human thromboxane A2receptor. Nat. Chem. Biol., 15, 2019
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8CEB
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![BU of 8ceb by Molmil](/molmil-images/mine/8ceb) | Type2 alpha-synuclein filament assembled in vitro by wild-type and mutant (7 residues insertion) protein | Descriptor: | Alpha-synuclein | Authors: | Yang, Y, Garringer, J.H, Shi, Y, Lovestam, S, Sew, P.C, Zhang, X.J, Kotecha, A, Bacioglu, M, Koto, A, Takao, M, Spillantini, G.M, Ghetti, B, Vidal, R, Murzin, G.A, Scheres, H.W.S, Goedert, M. | Deposit date: | 2023-02-01 | Release date: | 2023-03-08 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | New SNCA mutation and structures of alpha-synuclein filaments from juvenile-onset synucleinopathy. Acta Neuropathol, 145, 2023
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6WUU
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6WX4
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5NP7
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7TRB
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![BU of 7trb by Molmil](/molmil-images/mine/7trb) | CRYSTAL STRUCTURE OF FARNESOID X-ACTIVATED RECEPTOR COMPLEXED WITH COMPOUND-32 AKA (1S,3S)-N-({4-[5-(2-FLUOROPR OPAN-2-YL)-1,2,4-OXADIAZOL-3-YL]BICYCLO[2.2.2]OCTAN-1-YL}M ETHYL)-3-HYDROXY-N-[4'-(2-HYDROXYPROPAN-2-YL)-[1,1'-BIPHEN YL]-3-YL]-3-(TRIFLUOROMETHYL)CYCLOBUTANE-1-CARBOXAMIDE | Descriptor: | (1s,3s)-N-({4-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]bicyclo[2.2.2]octan-1-yl}methyl)-3-hydroxy-N-[4'-(2-hydroxypropan-2-yl)[1,1'-biphenyl]-3-yl]-3-(trifluoromethyl)cyclobutane-1-carboxamide, Bile acid receptor, co-activator | Authors: | Khan, J.A, Ruzanov, M. | Deposit date: | 2022-01-28 | Release date: | 2022-06-29 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Discovery of BMS-986339, a Pharmacologically Differentiated Farnesoid X Receptor Agonist for the Treatment of Nonalcoholic Steatohepatitis. J.Med.Chem., 65, 2022
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7X9E
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![BU of 7x9e by Molmil](/molmil-images/mine/7x9e) | Crystal structure of the 76E1 Fab in complex with a SARS-CoV-2 spike peptide | Descriptor: | 76E1 Fab Heavy Chain, 76E1 Fab Light Chain, Spike peptide | Authors: | Chen, X, Zhang, T, Ding, J, Sun, X, Sun, B. | Deposit date: | 2022-03-15 | Release date: | 2022-05-11 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Neutralization mechanism of a human antibody with pan-coronavirus reactivity including SARS-CoV-2. Nat Microbiol, 7, 2022
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5M41
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![BU of 5m41 by Molmil](/molmil-images/mine/5m41) | Crystal structure of nigritoxine | Descriptor: | MAGNESIUM ION, Nigritoxine | Authors: | Czjzek, M, Labreuche, L, Jeudy, A, Le Roux, F. | Deposit date: | 2016-10-17 | Release date: | 2017-12-06 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Nigritoxin is a bacterial toxin for crustaceans and insects. Nat Commun, 8, 2017
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6YC5
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7N6W
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![BU of 7n6w by Molmil](/molmil-images/mine/7n6w) | Structure of uncleaved HIV-1 JR-FL Env glycoprotein trimer in state U2 bound to small Molecule HIV-1 Entry Inhibitor BMS-378806 | Descriptor: | 1-[(2R)-4-(benzenecarbonyl)-2-methylpiperazin-1-yl]-2-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)ethane-1,2-dione, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zhang, S, Wang, K, Mao, Y. | Deposit date: | 2021-06-09 | Release date: | 2021-09-22 | Last modified: | 2021-12-08 | Method: | ELECTRON MICROSCOPY (4.7 Å) | Cite: | Asymmetric Structures and Conformational Plasticity of the Uncleaved Full-Length Human Immunodeficiency Virus Envelope Glycoprotein Trimer. J.Virol., 95, 2021
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7N6U
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![BU of 7n6u by Molmil](/molmil-images/mine/7n6u) | Structure of uncleaved HIV-1 JR-FL Env glycoprotein trimer in state U1 bound to small Molecule HIV-1 Entry Inhibitor BMS-378806 | Descriptor: | 1-[(2R)-4-(benzenecarbonyl)-2-methylpiperazin-1-yl]-2-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)ethane-1,2-dione, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zhang, S, Wang, K, Mao, Y. | Deposit date: | 2021-06-09 | Release date: | 2021-09-22 | Last modified: | 2021-12-08 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | Asymmetric Structures and Conformational Plasticity of the Uncleaved Full-Length Human Immunodeficiency Virus Envelope Glycoprotein Trimer. J.Virol., 95, 2021
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4X7H
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![BU of 4x7h by Molmil](/molmil-images/mine/4x7h) | Co-crystal Structure of PERK bound to N-{5-[(6,7-dimethoxyquinolin-4-yl)oxy]pyridin-2-yl}-1-methyl-3-oxo-2-phenyl-5-(pyridin-4-yl)-2,3-dihydro-1H-pyrazole-4-carboxamide inhibitor | Descriptor: | Eukaryotic translation initiation factor 2-alpha kinase 3,Eukaryotic translation initiation factor 2-alpha kinase 3, N-{5-[(6,7-dimethoxyquinolin-4-yl)oxy]pyridin-2-yl}-1-methyl-3-oxo-2-phenyl-5-(pyridin-4-yl)-2,3-dihydro-1H-pyrazole-4-carboxamide, SULFATE ION | Authors: | Shaffer, P.L, Bellon, S.F, Long, A.M, Chen, H. | Deposit date: | 2014-12-09 | Release date: | 2015-02-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of 1H-Pyrazol-3(2H)-ones as Potent and Selective Inhibitors of Protein Kinase R-like Endoplasmic Reticulum Kinase (PERK). J.Med.Chem., 58, 2015
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4X7L
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![BU of 4x7l by Molmil](/molmil-images/mine/4x7l) | Co-crystal Structure of PERK bound to 4-{2-amino-4-methyl-3-[2-(methylamino)-1,3-benzothiazol-6-yl]benzoyl}-1-methyl-2,5-diphenyl-1,2-dihydro-3H-pyrazol-3-one inhibitor | Descriptor: | 4-{2-amino-4-methyl-3-[2-(methylamino)-1,3-benzothiazol-6-yl]benzoyl}-1-methyl-2,5-diphenyl-1,2-dihydro-3H-pyrazol-3-one, Eukaryotic translation initiation factor 2-alpha kinase 3,Eukaryotic translation initiation factor 2-alpha kinase 3, GLYCEROL, ... | Authors: | Shaffer, P.L, Long, A.M, Chen, H. | Deposit date: | 2014-12-09 | Release date: | 2015-01-28 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery of 1H-Pyrazol-3(2H)-ones as Potent and Selective Inhibitors of Protein Kinase R-like Endoplasmic Reticulum Kinase (PERK). J.Med.Chem., 58, 2015
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7OND
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7OO4
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![BU of 7oo4 by Molmil](/molmil-images/mine/7oo4) | |