5K2D
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![BU of 5k2d by Molmil](/molmil-images/mine/5k2d) | 1.9A angstrom A2a adenosine receptor structure with MR phasing using XFEL data | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, ... | Authors: | Batyuk, A, Galli, L, Ishchenko, A, Han, G.W, Gati, C, Popov, P, Lee, M.-Y, Stauch, B, White, T.A, Barty, A, Aquila, A, Hunter, M.S, Liang, M, Boutet, S, Pu, M, Liu, Z.-J, Nelson, G, James, D, Li, C, Zhao, Y, Spence, J.C.H, Liu, W, Fromme, P, Katritch, V, Weierstall, U, Stevens, R.C, Cherezov, V, GPCR Network (GPCR) | Deposit date: | 2016-05-18 | Release date: | 2016-09-21 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Native phasing of x-ray free-electron laser data for a G protein-coupled receptor. Sci Adv, 2, 2016
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5K2C
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![BU of 5k2c by Molmil](/molmil-images/mine/5k2c) | 1.9 angstrom A2a adenosine receptor structure with sulfur SAD phasing and phase extension using XFEL data | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, Adenosine receptor A2a/Soluble cytochrome b562 chimera, ... | Authors: | Batyuk, A, Galli, L, Ishchenko, A, Han, G.W, Gati, C, Popov, P, Lee, M.-Y, Stauch, B, White, T.A, Barty, A, Aquila, A, Hunter, M.S, Liang, M, Boutet, S, Pu, M, Liu, Z.-J, Nelson, G, James, D, Li, C, Zhao, Y, Spence, J.C.H, Liu, W, Fromme, P, Katritch, V, Weierstall, U, Stevens, R.C, Cherezov, V, GPCR Network (GPCR) | Deposit date: | 2016-05-18 | Release date: | 2016-09-21 | Last modified: | 2018-11-28 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Native phasing of x-ray free-electron laser data for a G protein-coupled receptor. Sci Adv, 2, 2016
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2A7Y
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![BU of 2a7y by Molmil](/molmil-images/mine/2a7y) | Solution Structure of the Conserved Hypothetical Protein Rv2302 from the Bacterium Mycobacterium tuberculosis | Descriptor: | Hypothetical protein Rv2302/MT2359 | Authors: | Buchko, G.W, Kim, C.-Y, Terwilliger, T.C, Kennedy, M.A, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2005-07-06 | Release date: | 2005-08-23 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structure of the conserved hypothetical protein Rv2302 from Mycobacterium tuberculosis. J.Bacteriol., 188, 2006
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5K2A
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![BU of 5k2a by Molmil](/molmil-images/mine/5k2a) | 2.5 angstrom A2a adenosine receptor structure with sulfur SAD phasing using XFEL data | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, Adenosine receptor A2a/Soluble cytochrome b562 chimera, ... | Authors: | Batyuk, A, Galli, L, Ishchenko, A, Han, G.W, Gati, C, Popov, P, Lee, M.-Y, Stauch, B, White, T.A, Barty, A, Aquila, A, Hunter, M.S, Liang, M, Boutet, S, Pu, M, Liu, Z.-J, Nelson, G, James, D, Li, C, Zhao, Y, Spence, J.C.H, Liu, W, Fromme, P, Katritch, V, Weierstall, U, Stevens, R.C, Cherezov, V, GPCR Network (GPCR) | Deposit date: | 2016-05-18 | Release date: | 2016-09-21 | Last modified: | 2018-11-28 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Native phasing of x-ray free-electron laser data for a G protein-coupled receptor. Sci Adv, 2, 2016
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1YOB
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![BU of 1yob by Molmil](/molmil-images/mine/1yob) | C69A Flavodoxin II from Azotobacter vinelandii | Descriptor: | FLAVIN MONONUCLEOTIDE, Flavodoxin 2, SULFATE ION | Authors: | Alagaratnam, S, van Pouderoyen, G, Pijning, T, Dijkstra, B.W, Cavazzini, D, Rossi, G.L, Canters, G.W. | Deposit date: | 2005-01-27 | Release date: | 2005-10-18 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | A crystallographic study of Cys69Ala flavodoxin II from Azotobacter vinelandii: structural determinants of redox potential Protein Sci., 14, 2005
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5JGL
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![BU of 5jgl by Molmil](/molmil-images/mine/5jgl) | Crystal structure of GtmA in complex with S-Adenosylmethionine | Descriptor: | S-ADENOSYLMETHIONINE, SODIUM ION, UbiE/COQ5 family methyltransferase, ... | Authors: | Dolan, S.K, Bock, T, Hering, V, Jones, G.W, Blankenfeldt, W, Doyle, S. | Deposit date: | 2016-04-20 | Release date: | 2017-03-01 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Structural, mechanistic and functional insight into gliotoxinbis-thiomethylation inAspergillus fumigatus. Open Biol, 7, 2017
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2BH5
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![BU of 2bh5 by Molmil](/molmil-images/mine/2bh5) | X-ray structure of the M100K variant of ferric cyt c-550 from Paracoccus versutus determined at 295 K. | Descriptor: | CYTOCHROME C-550, HEME C | Authors: | Worrall, J.A.R, van Roon, A.-M.M, Ubbink, M, Canters, G.W. | Deposit date: | 2005-01-07 | Release date: | 2005-05-11 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | The Effect of Replacing the Axial Methionine Ligand with a Lysine Residue in Cytochrome C-550 from Paracoccus Versutus Assessed by X-Ray Crystallography and Unfolding. FEBS J., 272, 2005
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2C6B
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![BU of 2c6b by Molmil](/molmil-images/mine/2c6b) | Solution structure of the C4 zinc-finger domain of HDM2 | Descriptor: | UBIQUITIN-PROTEIN LIGASE E3 MDM2, ZINC ION | Authors: | Yu, G.W, Allen, M.D, Andreeva, A, Fersht, A.R, Bycroft, M. | Deposit date: | 2005-11-08 | Release date: | 2006-01-04 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Solution Structure of the C4 Zinc Finger Domain of Hdm2. Protein Sci., 15, 2006
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5JGJ
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![BU of 5jgj by Molmil](/molmil-images/mine/5jgj) | Crystal structure of GtmA | Descriptor: | UbiE/COQ5 family methyltransferase, putative | Authors: | Dolan, S.K, Bock, T, Hering, V, Jones, G.W, Blankenfeldt, W, Doyle, S. | Deposit date: | 2016-04-20 | Release date: | 2017-03-01 | Last modified: | 2018-03-28 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Structural, mechanistic and functional insight into gliotoxinbis-thiomethylation inAspergillus fumigatus. Open Biol, 7, 2017
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1ZDQ
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![BU of 1zdq by Molmil](/molmil-images/mine/1zdq) | Crystal Structure of Met150Gly AfNiR with Methylsulfanyl Methane Bound | Descriptor: | (METHYLSULFANYL)METHANE, COPPER (II) ION, Copper-containing nitrite reductase | Authors: | Wijma, H.J, MacPherson, I.S, Alexandre, M, Diederix, R.E.M, Canters, G.W, Murphy, M.E.P, Verbeet, M.P. | Deposit date: | 2005-04-14 | Release date: | 2006-03-28 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A rearranging ligand enables allosteric control of catalytic activity in copper-containing nitrite reductase. J.Mol.Biol., 358, 2006
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2C3F
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![BU of 2c3f by Molmil](/molmil-images/mine/2c3f) | The structure of a group A streptococcal phage-encoded tail-fibre showing hyaluronan lyase activity. | Descriptor: | HYALURONIDASE, PHAGE ASSOCIATED, SODIUM ION | Authors: | Taylor, E.J, Smith, N.L, Linsay, A.-M, Charnock, S.J, Turkenburg, J.P, Dodson, E.J, Davies, G.J, Black, G.W. | Deposit date: | 2005-10-06 | Release date: | 2005-11-29 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Structure of a Group a Streptococcal Phage-Encoded Virulence Factor Reveals Catalytically Active Triple-Stranded Beta-Helix Proc.Natl.Acad.Sci.USA, 102, 2005
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2C6A
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![BU of 2c6a by Molmil](/molmil-images/mine/2c6a) | Solution structure of the C4 zinc-finger domain of HDM2 | Descriptor: | UBIQUITIN-PROTEIN LIGASE E3 MDM2, ZINC ION | Authors: | Yu, G.W, Allen, M.D, Andreeva, A, Fersht, A.R, Bycroft, M. | Deposit date: | 2005-11-08 | Release date: | 2006-01-04 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Solution Structure of the C4 Zinc Finger Domain of Hdm2. Protein Sci., 15, 2006
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2C1B
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![BU of 2c1b by Molmil](/molmil-images/mine/2c1b) | Structure of cAMP-dependent protein kinase complexed with (4R,2S)-5'-(4-(4-Chlorobenzyloxy)pyrrolidin-2-ylmethanesulfonyl)isoquinoline | Descriptor: | (4R,2S)-5'-(4-(4-CHLOROBENZYLOXY)PYRROLIDIN-2-YLMETHANESULFONYL)ISOQUINOLINE, CAMP-DEPENDENT PROTEIN KINASE, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR | Authors: | Collins, I, Caldwell, J, Fonseca, T, Donald, A, Bavetsias, V, Hunter, L.J, Garrett, M.D, Rowlands, M.G, Aherne, G.W, Davies, T.G, Berdini, V, Woodhead, S.J, Seavers, L.C.A, Wyatt, P.G, Workman, P, McDonald, E. | Deposit date: | 2005-09-12 | Release date: | 2005-11-02 | Last modified: | 2018-02-28 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-based design of isoquinoline-5-sulfonamide inhibitors of protein kinase B. Bioorg. Med. Chem., 14, 2006
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2C1A
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![BU of 2c1a by Molmil](/molmil-images/mine/2c1a) | Structure of cAMP-dependent protein kinase complexed with Isoquinoline-5-sulfonic acid (2-(2-(4-chlorobenzyloxy)ethylamino) ethyl)amide | Descriptor: | CAMP-DEPENDENT PROTEIN KINASE, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR, ISOQUINOLINE-5-SULFONIC ACID (2-(2-(4-CHLOROBENZYLOXY)ETHYLAMINO)ETHYL)AMIDE | Authors: | Collins, I, Caldwell, J, Fonseca, T, Donald, A, Bavetsias, V, Hunter, L.J, Garrett, M.D, Rowlands, M.G, Aherne, G.W, Davies, T.G, Berdini, V, Woodhead, S.J, Seavers, L.C.A, Wyatt, P.G, Workman, P, McDonald, E. | Deposit date: | 2005-09-12 | Release date: | 2005-11-02 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structure-based design of isoquinoline-5-sulfonamide inhibitors of protein kinase B. Bioorg. Med. Chem., 14, 2006
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2BH4
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![BU of 2bh4 by Molmil](/molmil-images/mine/2bh4) | X-ray structure of the M100K variant of ferric cyt c-550 from Paracoccus versutus determined at 100 K. | Descriptor: | CYTOCHROME C-550, HEME C | Authors: | Worrall, J.A.R, Van Roon, A.-M.M, Ubbink, M, Canters, G.W. | Deposit date: | 2005-01-07 | Release date: | 2005-05-11 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | The Effect of Replacing the Axial Methionine Ligand with a Lysine Residue in Cytochrome C-550 from Paracoccus Versutus Assessed by X-Ray Crystallography and Unfolding. FEBS J., 272, 2005
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2B08
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![BU of 2b08 by Molmil](/molmil-images/mine/2b08) | Reduced acetamide-bound M150G Nitrite Reductase from Alcaligenes faecalis | Descriptor: | ACETAMIDE, COPPER (I) ION, Copper-containing nitrite reductase | Authors: | Wijma, H.J, MacPherson, I.S, Farver, O, Tocheva, E.I, Pecht, I, Verbeet, M.Ph, Murphy, M.E.P, Canters, G.W. | Deposit date: | 2005-09-13 | Release date: | 2006-09-26 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Effect of the methionine ligand on the reorganization energy of the type-1 copper site of nitrite reductase. J.Am.Chem.Soc., 129, 2007
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2BGV
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![BU of 2bgv by Molmil](/molmil-images/mine/2bgv) | X-ray structure of ferric cytochrome c-550 from Paracoccus versutus | Descriptor: | CYTOCHROME C-550, HEME C | Authors: | Worrall, J.A.R, Van Roon, A.-M.M, Ubbink, M, Canters, G.W. | Deposit date: | 2005-01-05 | Release date: | 2005-05-11 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The Effect of Replacing the Axial Methionine Ligand with a Lysine Residue in Cytochrome C-550 from Paracoccus Versutus Assessed by X-Ray Crystallography and Unfolding. FEBS J., 272, 2005
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2C7E
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![BU of 2c7e by Molmil](/molmil-images/mine/2c7e) | REVISED ATOMIC STRUCTURE FITTING INTO A GROEL(D398A)-ATP7 CRYO-EM MAP (EMD 1047) | Descriptor: | 60 KDA CHAPERONIN, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Ranson, N.A, Farr, G.W, Roseman, A.M, Gowen, B, Fenton, W.A, Horwich, A.L, Saibil, H.R. | Deposit date: | 2005-11-22 | Release date: | 2006-02-16 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (14.9 Å) | Cite: | ATP-Bound States of Groel Captured by Cryo-Electron Microscopy Cell(Cambridge,Mass.), 107, 2001
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2C7D
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![BU of 2c7d by Molmil](/molmil-images/mine/2c7d) | Fitted coordinates for GroEL-ADP7-GroES Cryo-EM complex (EMD-1181) | Descriptor: | 10 KDA CHAPERONIN MOLECULE: GROES, PROTEIN CPN10, GROES PROTEIN, ... | Authors: | Ranson, N.A, Clare, D.K, Farr, G.W, Houldershaw, D, Horwich, A.L, Saibil, H.R. | Deposit date: | 2005-11-22 | Release date: | 2006-01-25 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (8.7 Å) | Cite: | Allosteric Signalling of ATP Hydrolysis in Groel-Groes Complexes. Nat.Struct.Mol.Biol., 13, 2006
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2B3R
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![BU of 2b3r by Molmil](/molmil-images/mine/2b3r) | Crystal structure of the C2 domain of class II phosphatidylinositide 3-kinase C2 | Descriptor: | Phosphatidylinositol-4-phosphate 3-kinase C2 domain-containing alpha polypeptide, SULFATE ION | Authors: | Liu, L, Song, X, He, D, Komma, C, Kita, A, Verbasius, J.V, Bellamy, H, Miki, K, Czech, M.P, Zhou, G.W. | Deposit date: | 2005-09-20 | Release date: | 2005-12-13 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of the C2 domain of class II phosphatidylinositide 3-kinase C2alpha. J.Biol.Chem., 281, 2006
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2C7C
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![BU of 2c7c by Molmil](/molmil-images/mine/2c7c) | FITTED COORDINATES FOR GROEL-ATP7-GROES CRYO-EM COMPLEX (EMD-1180) | Descriptor: | 10 KDA CHAPERONIN MOLECULE: GROES, PROTEIN CPN10, GROES PROTEIN, ... | Authors: | Ranson, N.A, Clare, D.K, Farr, G.W, Houldershaw, D, Horwich, A.L, Saibil, H.R. | Deposit date: | 2005-11-22 | Release date: | 2006-01-25 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (7.7 Å) | Cite: | Allosteric Signalling of ATP Hydrolysis in Groel-Groes Complexes. Nat.Struct.Mol.Biol., 13, 2006
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2CEP
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![BU of 2cep by Molmil](/molmil-images/mine/2cep) | |
2B3O
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![BU of 2b3o by Molmil](/molmil-images/mine/2b3o) | Crystal structure of human tyrosine phosphatase SHP-1 | Descriptor: | Tyrosine-protein phosphatase, non-receptor type 6 | Authors: | Yang, J, Liu, L, He, D, Song, X, Liang, X, Zhao, Z.J, Zhou, G.W. | Deposit date: | 2005-09-20 | Release date: | 2005-10-25 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structure of human protein-tyrosine phosphatase SHP-1. J.Biol.Chem., 278, 2003
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170D
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![BU of 170d by Molmil](/molmil-images/mine/170d) | SOLUTION STRUCTURE OF A DNA DODECAMER CONTAINING THE ANTI-NEOPLASTIC AGENT ARABINOSYLCYTOSINE: COMBINED USE OF NMR, RESTRAINED MOLECULAR DYNAMICS AND FULL RELAXATION MATRIX REFINEMENT | Descriptor: | DNA/RNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*T)-R(P*CAR)-D(P*GP*CP*G)-3') | Authors: | Schweitzer, B.I, Mikita, T, Kellogg, G.W, Gardner, K.H, Beardsley, G.P. | Deposit date: | 1994-03-14 | Release date: | 1994-07-31 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structure of a DNA dodecamer containing the anti-neoplastic agent arabinosylcytosine: combined use of NMR, restrained molecular dynamics, and full relaxation matrix refinement. Biochemistry, 33, 1994
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1ALE
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![BU of 1ale by Molmil](/molmil-images/mine/1ale) | |