8H3L
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![BU of 8h3l by Molmil](/molmil-images/mine/8h3l) | Crystal Structure of SARS-CoV-2 Main Protease (Mpro) Double Mutant (T21I and E166V) in Complex with Inhibitor Enstrelvir | Descriptor: | 3C-like proteinase nsp5, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione | Authors: | Wang, H, Lin, M, Duan, Y, Zhang, X, Zhou, H, Bian, Q, Liu, X, Rao, Z, Yang, H. | Deposit date: | 2022-10-08 | Release date: | 2023-10-11 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Molecular mechanisms of SARS-CoV-2 resistance to nirmatrelvir. Nature, 622, 2023
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2KDX
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![BU of 2kdx by Molmil](/molmil-images/mine/2kdx) | Solution structure of HypA protein | Descriptor: | Hydrogenase/urease nickel incorporation protein hypA, ZINC ION | Authors: | Xia, W, Li, H, Sze, K.-H. | Deposit date: | 2009-01-20 | Release date: | 2009-10-20 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structure of a nickel chaperone, HypA, from Helicobacter pylori reveals two distinct metal binding sites J.Am.Chem.Soc., 131, 2009
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2XEM
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![BU of 2xem by Molmil](/molmil-images/mine/2xem) | Induced-fit and allosteric effects upon polyene binding revealed by crystal structures of the Dynemicin thioesterase | Descriptor: | (3E,5E,7E,9E,11E,13E)-pentadeca-3,5,7,9,11,13-hexaen-2-one, DYNE7 | Authors: | Liew, C.W, Sharff, A, Kotaka, M, Kong, R, Bricogne, G, Liang, Z.X, Lescar, J. | Deposit date: | 2010-05-17 | Release date: | 2010-10-13 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Induced-Fit Upon Ligand Binding Revealed by Crystal Structures of the Hot-Dog Fold Thioesterase in Dynemicin Biosynthesis. J.Mol.Biol., 404, 2010
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8H5F
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![BU of 8h5f by Molmil](/molmil-images/mine/8h5f) | Crystal Structure of SARS-CoV-2 Main Protease (Mpro) L167F Mutant in Complex with Inhibitor Nirmatrelvir | 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: | Lin, M, Liu, X. | Deposit date: | 2022-10-13 | Release date: | 2023-10-11 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Molecular mechanisms of SARS-CoV-2 resistance to nirmatrelvir. Nature, 622, 2023
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4KON
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![BU of 4kon by Molmil](/molmil-images/mine/4kon) | The structure of hemagglutinin from avian-origin H7N9 influenza virus in complex with human receptor analog 6'SLNLN (NeuAcα2-6Galβ1-4GlcNAcβ1-3Galβ1-4Glc) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1, Hemagglutinin HA2, ... | Authors: | Shi, Y, Zhang, W, Wang, F, Qi, J, Song, H, Wu, Y, Gao, F, Zhang, Y, Fan, Z, Gong, W, Wang, D, Shu, Y, Wang, Y, Yan, J, Gao, G.F. | Deposit date: | 2013-05-12 | Release date: | 2013-11-06 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structures and receptor binding of hemagglutinins from human-infecting H7N9 influenza viruses. Science, 342, 2013
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4LCX
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![BU of 4lcx by Molmil](/molmil-images/mine/4lcx) | The structure of hemagglutinin from avian-origin H7N9 influenza virus (A/Shanghai/1/2013) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1, Hemagglutinin HA2 | Authors: | Shi, Y, Zhang, W, Wang, F, Qi, J, Song, H, Wu, Y, Gao, F, Zhang, Y, Fan, Z, Gong, W, Wang, D, Shu, Y, Wang, Y, Yan, J, Gao, G.F. | Deposit date: | 2013-06-24 | Release date: | 2013-11-06 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3.094 Å) | Cite: | Structures and receptor binding of hemagglutinins from human-infecting H7N9 influenza viruses. Science, 342, 2013
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4LG8
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![BU of 4lg8 by Molmil](/molmil-images/mine/4lg8) | Crystal structure of PRPF19 WD40 repeats | Descriptor: | Pre-mRNA-processing factor 19, SODIUM ION, UNKNOWN ATOM OR ION | Authors: | Xu, C, Tempel, W, He, H, Dobrovetsky, E, Seitova, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2013-06-27 | Release date: | 2013-08-07 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Crystal structure of the WD40 domain of human PRPF19. Biochem. Biophys. Res. Commun., 493, 2017
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4LKG
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![BU of 4lkg by Molmil](/molmil-images/mine/4lkg) | The structure of hemagglutinin from a avian-origin H7N9 influenza virus (A/Shanghai/1/2013) in complex with avian receptor analog 3'SLNLN | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Shi, Y, Zhang, W, Wang, F, Qi, J, Song, H, Wu, Y, Gao, F, Zhang, Y, Fan, Z, Gong, W, Wang, D, Shu, Y, Wang, Y, Yan, J, Gao, G.F. | Deposit date: | 2013-07-07 | Release date: | 2013-11-06 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.994 Å) | Cite: | Structures and receptor binding of hemagglutinins from human-infecting H7N9 influenza viruses Science, 342, 2013
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4LKK
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![BU of 4lkk by Molmil](/molmil-images/mine/4lkk) | The structure of hemagglutinin L226Q mutant (H3 numbering) from a avian-origin H7N9 influenza virus (A/Anhui/1/2013) in complex with human receptor analog 6'SLNLN | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose, hemagglutinin | Authors: | Shi, Y, Zhang, W, Wang, F, Qi, J, Song, H, Wu, Y, Gao, F, Zhang, Y, Fan, Z, Gong, W, Wang, D, Shu, Y, Wang, Y, Yan, J, Gao, G.F. | Deposit date: | 2013-07-07 | Release date: | 2013-11-06 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.491 Å) | Cite: | Structures and receptor binding of hemagglutinins from human-infecting H7N9 influenza viruses Science, 342, 2013
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4LKJ
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![BU of 4lkj by Molmil](/molmil-images/mine/4lkj) | The structure of hemagglutinin L226Q mutant (H3 numbering) from a avian-origin H7N9 influenza virus (A/Anhui/1/2013) in complex with avian receptor analog 3'SLNLN | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, hemagglutinin | Authors: | Shi, Y, Zhang, W, Wang, F, Qi, J, Song, H, Wu, Y, Gao, F, Zhang, Y, Fan, Z, Gong, W, Wang, D, Shu, Y, Wang, Y, Yan, J, Gao, G.F. | Deposit date: | 2013-07-07 | Release date: | 2013-11-06 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.798 Å) | Cite: | Structures and receptor binding of hemagglutinins from human-infecting H7N9 influenza viruses Science, 342, 2013
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4LKH
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![BU of 4lkh by Molmil](/molmil-images/mine/4lkh) | The structure of hemagglutinin from a avian-origin H7N9 influenza virus (A/Shanghai/1/2013) in complex with human receptor analog 6'SLNLN | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, N-acetyl-alpha-neuraminic acid, hemagglutinin | Authors: | Shi, Y, Zhang, W, Wang, F, Qi, J, Song, H, Wu, Y, Gao, F, Zhang, Y, Fan, Z, Gong, W, Wang, D, Shu, Y, Wang, Y, Yan, J, Gao, G.F. | Deposit date: | 2013-07-07 | Release date: | 2013-11-06 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.099 Å) | Cite: | Structures and receptor binding of hemagglutinins from human-infecting H7N9 influenza viruses Science, 342, 2013
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4LKI
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![BU of 4lki by Molmil](/molmil-images/mine/4lki) | The structure of hemagglutinin L226Q mutant from a avian-origin H7N9 influenza virus (A/Anhui/1/2013) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, hemagglutinin | Authors: | Shi, Y, Zhang, W, Wang, F, Qi, J, Song, H, Wu, Y, Gao, F, Zhang, Y, Fan, Z, Gong, W, Wang, D, Shu, Y, Wang, Y, Yan, J, Gao, G.F. | Deposit date: | 2013-07-07 | Release date: | 2013-11-06 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structures and receptor binding of hemagglutinins from human-infecting H7N9 influenza viruses Science, 342, 2013
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8QB3
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![BU of 8qb3 by Molmil](/molmil-images/mine/8qb3) | ADDobody zinc containing condition | Descriptor: | ADDobody, ZINC ION | Authors: | Buzas, D, Toelzer, C, Berger, I, Schaffitzel, C. | Deposit date: | 2023-08-24 | Release date: | 2023-12-27 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Engineering the ADDobody protein scaffold for generation of high-avidity ADDomer super-binders. Structure, 32, 2024
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8QBX
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![BU of 8qbx by Molmil](/molmil-images/mine/8qbx) | Chimeric Adenovirus-derived dodecamer | Descriptor: | Penton protein | Authors: | Buzas, D, Borucu, U, Bufton, J, Kapadalakere, S.Y, Toelzer, C. | Deposit date: | 2023-08-25 | Release date: | 2023-12-27 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (2.2 Å) | Cite: | Engineering the ADDobody protein scaffold for generation of high-avidity ADDomer super-binders. Structure, 32, 2024
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4KOM
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![BU of 4kom by Molmil](/molmil-images/mine/4kom) | The structure of hemagglutinin from avian-origin H7N9 influenza virus in complex with avian receptor analog 3'SLNLN (NeuAcα2-3Galβ1-4GlcNAcβ1-3Galβ1-4Glc) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1, Hemagglutinin HA2, ... | Authors: | Shi, Y, Zhang, W, Wang, F, Qi, J, Song, H, Wu, Y, Gao, F, Zhang, Y, Fan, Z, Gong, W, Wang, D, Shu, Y, Wang, Y, Yan, J, Gao, G.F. | Deposit date: | 2013-05-12 | Release date: | 2013-11-06 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.604 Å) | Cite: | Structures and receptor binding of hemagglutinins from human-infecting H7N9 influenza viruses. Science, 342, 2013
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4KOL
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![BU of 4kol by Molmil](/molmil-images/mine/4kol) | The structure of hemagglutinin from avian-origin H7N9 influenza virus | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1, Hemagglutinin HA2 | Authors: | Shi, Y, Zhang, W, Wang, F, Qi, J, Song, H, Wu, Y, Gao, F, Zhang, Y, Fan, Z, Gong, W, Wang, D, Shu, Y, Wang, Y, Yan, J, Gao, G.F. | Deposit date: | 2013-05-12 | Release date: | 2013-11-06 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.799 Å) | Cite: | Structures and receptor binding of hemagglutinins from human-infecting H7N9 influenza viruses. Science, 342, 2013
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5TCC
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![BU of 5tcc by Molmil](/molmil-images/mine/5tcc) | Complement Factor D inhibited with JH4 | Descriptor: | (2S)-N-(6-bromopyridin-2-yl)-3-[(1H-indazol-1-yl)acetyl]-1,3-thiazolidine-2-carboxamide, Complement factor D | Authors: | Stuckey, J.A. | Deposit date: | 2016-09-14 | Release date: | 2016-10-19 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.37 Å) | Cite: | Buried Hydrogen Bond Interactions Contribute to the High Potency of Complement Factor D Inhibitors. ACS Med Chem Lett, 7, 2016
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5C71
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![BU of 5c71 by Molmil](/molmil-images/mine/5c71) | The structure of Aspergillus oryzae a-glucuronidase complexed with glycyrrhetinic acid monoglucuronide | Descriptor: | (3BETA,5BETA,14BETA)-3-HYDROXY-11-OXOOLEAN-12-EN-29-OIC ACID, Glucuronidase, alpha-D-glucopyranuronic acid | Authors: | Sun, H.L, Lv, B, Huang, S, Li, C, Jiang, T. | Deposit date: | 2015-06-24 | Release date: | 2016-06-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.62 Å) | Cite: | Structure-guided engineering of the substrate specificity of a fungal beta-glucuronidase toward triterpenoid saponins. J.Biol.Chem., 293, 2018
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8JBJ
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![BU of 8jbj by Molmil](/molmil-images/mine/8jbj) | Crystal structure of anti-PVRIG Fab | Descriptor: | antibody heavy chain, antibody light chain | Authors: | Sun, J, Li, X.L, Song, J. | Deposit date: | 2023-05-09 | Release date: | 2023-06-21 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Identification and characterization of an unexpected isomerization motif in CDRH2 that affects antibody activity. Mabs, 15, 2023
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5DI0
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![BU of 5di0 by Molmil](/molmil-images/mine/5di0) | Crystal structure of Dln1 | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Jia, N, Jiang, Y.L, Cheng, W, Wang, H.W, Zhou, C.Z, Chen, Y. | Deposit date: | 2015-08-31 | Release date: | 2016-02-03 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural basis for receptor recognition and pore formation of a zebrafish aerolysin-like protein. Embo Rep., 17, 2016
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8COI
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![BU of 8coi by Molmil](/molmil-images/mine/8coi) | Human adenovirus-derived synthetic ADDobody binder | Descriptor: | ADDobody | Authors: | Buzas, D, Toelzer, C, Gupta, K, Berger-Schaffitzel, C, Berger, I. | Deposit date: | 2023-02-28 | Release date: | 2023-12-27 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (3.17 Å) | Cite: | Engineering the ADDobody protein scaffold for generation of high-avidity ADDomer super-binders. Structure, 32, 2024
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6LRR
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![BU of 6lrr by Molmil](/molmil-images/mine/6lrr) | Cryo-EM structure of RuBisCO-Raf1 from Anabaena sp. PCC 7120 | Descriptor: | All5250 protein, Ribulose bisphosphate carboxylase large chain, Ribulose bisphosphate carboxylase small chain | Authors: | Xia, L.Y, Jiang, Y.L, Kong, W.W, Chen, Y, Zhou, C.Z. | Deposit date: | 2020-01-16 | Release date: | 2020-05-13 | Last modified: | 2020-07-01 | Method: | ELECTRON MICROSCOPY (3.37 Å) | Cite: | Molecular basis for the assembly of RuBisCO assisted by the chaperone Raf1. Nat.Plants, 6, 2020
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6LRC
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![BU of 6lrc by Molmil](/molmil-images/mine/6lrc) | Human cGAS catalytic domain bound with the inhibitor PF-06928215 | Descriptor: | (1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid, Cyclic GMP-AMP synthase, ZINC ION | Authors: | Zhao, W.F, Xu, Y.C. | Deposit date: | 2020-01-15 | Release date: | 2020-06-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.831 Å) | Cite: | In Silico Screening-Based Discovery of Novel Inhibitors of Human Cyclic GMP-AMP Synthase: A Cross-Validation Study of Molecular Docking and Experimental Testing. J.Chem.Inf.Model., 60, 2020
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6NSL
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![BU of 6nsl by Molmil](/molmil-images/mine/6nsl) | CRYSTAL STRUCTURE OF TYROSINE KINASE 2 JH2 (PSEUDO KINASE DOMAIN) COMPLEXED WITH Compound-6c AKA 6-((1-(4-CYANOPHENY L)-2-OXO-1,2-DIHYDRO-3-PYRIDINYL)AMINO)-N-CYCLOPROPYL-8-(M ETHYLAMINO)IMIDAZO[1,2-B]PYRIDAZINE-3-CARBOXAMIDE | Descriptor: | 6-{[1-(4-cyanophenyl)-2-oxo-1,2-dihydropyridin-3-yl]amino}-N-cyclopropyl-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide, Non-receptor tyrosine-protein kinase TYK2, SULFATE ION | Authors: | Muckelbauer, J.M, Khan, J.A. | Deposit date: | 2019-01-25 | Release date: | 2020-01-29 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Identification of Imidazo[1,2-b]pyridazine Derivatives as Potent, Selective, and Orally Active Tyk2 JH2 Inhibitors. Acs Med.Chem.Lett., 10, 2019
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6OQ3
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![BU of 6oq3 by Molmil](/molmil-images/mine/6oq3) | |