7KBZ
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![BU of 7kbz by Molmil](/molmil-images/mine/7kbz) | Artificial Metalloproteins with Dinuclear Iron Centers | Descriptor: | CYANIDE ION, Streptavidin, {N-(4-{bis[(pyridin-2-yl-kappaN)methyl]amino-kappaN}butyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide}iron(3+) | Authors: | Miller, K.R, Follmer, A.H, Jasniewski, A.J, Sabuncu, S, Biswas, S, Albert, T, Hendrich, M.P, Moenne-Loccoz, P, Borovik, A.S. | Deposit date: | 2020-10-03 | Release date: | 2021-02-03 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Artificial Metalloproteins with Dinuclear Iron-Hydroxido Centers. J.Am.Chem.Soc., 143, 2021
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6VP1
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![BU of 6vp1 by Molmil](/molmil-images/mine/6vp1) | Artificial Metalloproteins with Dinuclear Iron Centers | Descriptor: | ACETATE ION, Streptavidin, {N-(4-{bis[(pyridin-2-yl-kappaN)methyl]amino-kappaN}butyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide}iron(3+) | Authors: | Miller, K.R, Follmer, A.H, Jasniewski, A.J, Sabuncu, S, Biswas, S, Albert, T, Hendrich, M.P, Moenne-Loccoz, P, Borovik, A.S. | Deposit date: | 2020-02-01 | Release date: | 2021-02-03 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Artificial Metalloproteins with Dinuclear Iron-Hydroxido Centers. J.Am.Chem.Soc., 143, 2021
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6VOZ
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![BU of 6voz by Molmil](/molmil-images/mine/6voz) | Artificial Metalloproteins with Dinuclear Iron Centers | Descriptor: | ACETATE ION, Streptavidin, {N-(4-{bis[(pyridin-2-yl-kappaN)methyl]amino-kappaN}butyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide}iron(3+) | Authors: | Miller, K.R, Follmer, A.H, Jasniewski, A.J, Sabuncu, S, Biswas, S, Albert, T, Hendrich, M.P, Moenne-Loccoz, P, Borovik, A.S. | Deposit date: | 2020-02-01 | Release date: | 2021-02-03 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Artificial Metalloproteins with Dinuclear Iron-Hydroxido Centers. J.Am.Chem.Soc., 143, 2021
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6VP3
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![BU of 6vp3 by Molmil](/molmil-images/mine/6vp3) | Artificial Metalloproteins with Dinuclear Iron Centers | Descriptor: | ACETATE ION, Streptavidin, {N-(4-{bis[(pyridin-2-yl-kappaN)methyl]amino-kappaN}butyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide}iron(3+) | Authors: | Miller, K.R, Follmer, A.H, Jasniewski, A.J, Sabuncu, S, Biswas, S, Albert, T, Hendrich, M.P, Moenne-Loccoz, P, Borovik, A.S. | Deposit date: | 2020-02-01 | Release date: | 2021-02-03 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Artificial Metalloproteins with Dinuclear Iron-Hydroxido Centers. J.Am.Chem.Soc., 143, 2021
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6VP2
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![BU of 6vp2 by Molmil](/molmil-images/mine/6vp2) | Artificial Metalloproteins with Dinuclear Iron Centers | Descriptor: | ACETATE ION, AZIDE ION, Streptavidin, ... | Authors: | Miller, K.R, Follmer, A.H, Jasniewski, A.J, Sabuncu, S, Biswas, S, Albert, T, Hendrich, M.P, Moenne-Loccoz, P, Borovik, A.S. | Deposit date: | 2020-02-01 | Release date: | 2021-02-03 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Artificial Metalloproteins with Dinuclear Iron-Hydroxido Centers. J.Am.Chem.Soc., 143, 2021
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6VO9
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![BU of 6vo9 by Molmil](/molmil-images/mine/6vo9) | Artificial Metalloproteins with Dinuclear Iron Centers | Descriptor: | ACETATE ION, Streptavidin, {N-(4-{bis[(pyridin-2-yl-kappaN)methyl]amino-kappaN}butyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide}iron(3+) | Authors: | Miller, K.R, Follmer, A.H, Jasniewski, A.J, Sabuncu, S, Biswas, S, Albert, T, Hendrich, M.P, Moenne-Loccoz, P, Borovik, A.S. | Deposit date: | 2020-01-30 | Release date: | 2021-02-03 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Artificial Metalloproteins with Dinuclear Iron-Hydroxido Centers. J.Am.Chem.Soc., 143, 2021
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6VOB
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![BU of 6vob by Molmil](/molmil-images/mine/6vob) | Artificial Metalloproteins with Dinuclear Iron Centers | Descriptor: | ACETATE ION, AZIDE ION, Streptavidin, ... | Authors: | Miller, K.R, Follmer, A.H, Jasniewski, A.J, Sabuncu, S, Biswas, S, Albert, T, Hendrich, M.P, Moenne-Loccoz, P, Borovik, A.S. | Deposit date: | 2020-01-30 | Release date: | 2021-02-03 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Artificial Metalloproteins with Dinuclear Iron-Hydroxido Centers. J.Am.Chem.Soc., 143, 2021
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6C6M
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![BU of 6c6m by Molmil](/molmil-images/mine/6c6m) | IgCam3 of human MLCK1 | Descriptor: | Myosin light chain kinase, smooth muscle | Authors: | Zuccola, H.J, Turner, J. | Deposit date: | 2018-01-19 | Release date: | 2019-01-23 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Intracellular MLCK1 diversion reverses barrier loss to restore mucosal homeostasis. Nat. Med., 25, 2019
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6WB4
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![BU of 6wb4 by Molmil](/molmil-images/mine/6wb4) | Microbiome-derived Acarbose Kinase Mak1 Labeled with selenomethionine | Descriptor: | 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, ADENOSINE-5'-TRIPHOSPHATE, Acarbose Kinase Mak1, ... | Authors: | Jeffrey, P.D, Balaich, J.N, Estrella, M.A, Donia, M.S. | Deposit date: | 2020-03-26 | Release date: | 2021-04-21 | Last modified: | 2021-12-15 | Method: | X-RAY DIFFRACTION (2.593 Å) | Cite: | The human microbiome encodes resistance to the antidiabetic drug acarbose. Nature, 600, 2021
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6WB5
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![BU of 6wb5 by Molmil](/molmil-images/mine/6wb5) | Microbiome-derived Acarbose Kinase Mak1 as a Complex with Acarbose and AMP-PNP | Descriptor: | 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, Acarbose Kinase Mak1, MANGANESE (II) ION, ... | Authors: | Jeffrey, P.D, Balaich, J.N, Estrella, M.A, Donia, M.S. | Deposit date: | 2020-03-26 | Release date: | 2021-04-21 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.102 Å) | Cite: | The human microbiome encodes resistance to the antidiabetic drug acarbose. Nature, 600, 2021
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6WB7
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![BU of 6wb7 by Molmil](/molmil-images/mine/6wb7) | Acarbose Kinase AcbK as a Complex with Acarbose and AMP-PNP | Descriptor: | 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, Acarbose 7(IV)-phosphotransferase, MANGANESE (II) ION, ... | Authors: | Jeffrey, P.D, Balaich, J.N, Estrella, M.A, Donia, M.S. | Deposit date: | 2020-03-26 | Release date: | 2021-04-21 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | The human microbiome encodes resistance to the antidiabetic drug acarbose. Nature, 600, 2021
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6LFH
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![BU of 6lfh by Molmil](/molmil-images/mine/6lfh) | |
8FNJ
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![BU of 8fnj by Molmil](/molmil-images/mine/8fnj) | Structure of E138K/G140A HIV-1 intasome with Dolutegravir bound | Descriptor: | (4R,12aS)-N-(2,4-difluorobenzyl)-7-hydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide, DNA (25-MER), DNA (27-MER), ... | Authors: | Shan, Z.L, Passos, D.O, Strutzenberg, T.S, Li, M, Lyumkis, D. | Deposit date: | 2022-12-27 | Release date: | 2023-08-09 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (2.4 Å) | Cite: | Mechanisms of HIV-1 integrase resistance to dolutegravir and potent inhibition of drug-resistant variants. Sci Adv, 9, 2023
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8FNN
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![BU of 8fnn by Molmil](/molmil-images/mine/8fnn) | Structure of E138K/G140A/Q148K HIV-1 intasome with Dolutegravir bound | Descriptor: | (4R,12aS)-N-(2,4-difluorobenzyl)-7-hydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide, DNA (25-MER), DNA (27-MER), ... | Authors: | Shan, Z.L, Passos, D.O, Strutzenberg, T.S, Li, M, Lyumkis, D. | Deposit date: | 2022-12-27 | Release date: | 2023-08-09 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Mechanisms of HIV-1 integrase resistance to dolutegravir and potent inhibition of drug-resistant variants. Sci Adv, 9, 2023
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8FND
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![BU of 8fnd by Molmil](/molmil-images/mine/8fnd) | Structure of E138K HIV-1 intasome with Dolutegravir bound | Descriptor: | (4R,12aS)-N-(2,4-difluorobenzyl)-7-hydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide, DNA (25-MER), DNA (27-MER), ... | Authors: | Shan, Z.L, Passos, D.O, Strutzenberg, T.S, Li, M, Lyumkis, D. | Deposit date: | 2022-12-27 | Release date: | 2023-08-09 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Mechanisms of HIV-1 integrase resistance to dolutegravir and potent inhibition of drug-resistant variants. Sci Adv, 9, 2023
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8FN7
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![BU of 8fn7 by Molmil](/molmil-images/mine/8fn7) | Structure of WT HIV-1 intasome bound to Dolutegravir | Descriptor: | (4R,12aS)-N-(2,4-difluorobenzyl)-7-hydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide, DNA (25-MER), DNA (27-MER), ... | Authors: | Shan, Z.L, Passos, D.O, Strutzenberg, T.S, Li, M, Lyumkis, D. | Deposit date: | 2022-12-27 | Release date: | 2023-08-09 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Mechanisms of HIV-1 integrase resistance to dolutegravir and potent inhibition of drug-resistant variants. Sci Adv, 9, 2023
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8FNO
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![BU of 8fno by Molmil](/molmil-images/mine/8fno) | Structure of E138K/G140A/Q148R HIV-1 intasome with Dolutegravir bound | Descriptor: | (4R,12aS)-N-(2,4-difluorobenzyl)-7-hydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide, DNA (25-MER), DNA (27-MER), ... | Authors: | Shan, Z.L, Passos, D.O, Strutzenberg, T.S, Li, M, Lyumkis, D. | Deposit date: | 2022-12-28 | Release date: | 2023-08-09 | Last modified: | 2023-09-20 | Method: | ELECTRON MICROSCOPY (2.5 Å) | Cite: | Mechanisms of HIV-1 integrase resistance to dolutegravir and potent inhibition of drug-resistant variants. Sci Adv, 9, 2023
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8FNL
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![BU of 8fnl by Molmil](/molmil-images/mine/8fnl) | Structure of E138K/Q148K HIV-1 intasome with Dolutegravir bound | Descriptor: | (4R,12aS)-N-(2,4-difluorobenzyl)-7-hydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide, DNA (25-MER), DNA (27-MER), ... | Authors: | Shan, Z.L, Passos, D.O, Strutzenberg, T.S, Li, M, Lyumkis, D. | Deposit date: | 2022-12-27 | Release date: | 2023-08-09 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Mechanisms of HIV-1 integrase resistance to dolutegravir and potent inhibition of drug-resistant variants. Sci Adv, 9, 2023
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8FNH
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![BU of 8fnh by Molmil](/molmil-images/mine/8fnh) | Structure of Q148K HIV-1 intasome with Dolutegravir bound | Descriptor: | (4R,12aS)-N-(2,4-difluorobenzyl)-7-hydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide, DNA (25-MER), DNA (27-MER), ... | Authors: | Shan, Z.L, Passos, D.O, Strutzenberg, T.S, Li, M, Lyumkis, D. | Deposit date: | 2022-12-27 | Release date: | 2023-08-09 | Method: | ELECTRON MICROSCOPY (2.5 Å) | Cite: | Mechanisms of HIV-1 integrase resistance to dolutegravir and potent inhibition of drug-resistant variants. Sci Adv, 9, 2023
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8FNP
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![BU of 8fnp by Molmil](/molmil-images/mine/8fnp) | Structure of E138K/G140S/Q148H HIV-1 intasome with Dolutegravir bound | Descriptor: | (4R,12aS)-N-(2,4-difluorobenzyl)-7-hydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide, DNA (25-MER), DNA (27-MER), ... | Authors: | Shan, Z.L, Passos, D.O, Strutzenberg, T.S, Li, M, Lyumkis, D. | Deposit date: | 2022-12-28 | Release date: | 2023-08-09 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (2.2 Å) | Cite: | Mechanisms of HIV-1 integrase resistance to dolutegravir and potent inhibition of drug-resistant variants. Sci Adv, 9, 2023
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8FNG
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![BU of 8fng by Molmil](/molmil-images/mine/8fng) | Structure of E138K HIV-1 intasome with Dolutegravir bound | Descriptor: | (4R,12aS)-N-(2,4-difluorobenzyl)-7-hydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide, DNA (25-MER), DNA (27-MER), ... | Authors: | Shan, Z.L, Passos, D.O, Strutzenberg, T.S, Li, M, Lyumkis, D. | Deposit date: | 2022-12-27 | Release date: | 2023-08-09 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (2.2 Å) | Cite: | Mechanisms of HIV-1 integrase resistance to dolutegravir and potent inhibition of drug-resistant variants. Sci Adv, 9, 2023
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8FNM
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![BU of 8fnm by Molmil](/molmil-images/mine/8fnm) | Structure of G140A/Q148K HIV-1 intasome with Dolutegravir bound | Descriptor: | (4R,12aS)-N-(2,4-difluorobenzyl)-7-hydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide, DNA (25-MER), DNA (27-MER), ... | Authors: | Shan, Z.L, Passos, D.O, Strutzenberg, T.S, Li, M, Lyumkis, D. | Deposit date: | 2022-12-27 | Release date: | 2023-08-09 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Mechanisms of HIV-1 integrase resistance to dolutegravir and potent inhibition of drug-resistant variants. Sci Adv, 9, 2023
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8FNQ
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![BU of 8fnq by Molmil](/molmil-images/mine/8fnq) | Structure of E138K/G140A/Q148K HIV-1 intasome with 4d bound | Descriptor: | 4-amino-N-[(2,4-difluorophenyl)methyl]-1-hydroxy-6-(6-hydroxyhexyl)-2-oxo-1,2-dihydro-1,8-naphthyridine-3-carboxamide, DNA (25-MER), DNA (27-MER), ... | Authors: | Shan, Z.L, Passos, D.O, Strutzenberg, T.S, Li, M, Lyumkis, D. | Deposit date: | 2022-12-28 | Release date: | 2023-08-09 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Mechanisms of HIV-1 integrase resistance to dolutegravir and potent inhibition of drug-resistant variants. Sci Adv, 9, 2023
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5XAZ
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![BU of 5xaz by Molmil](/molmil-images/mine/5xaz) | |
5XAY
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![BU of 5xay by Molmil](/molmil-images/mine/5xay) | |