1FY1
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![BU of 1fy1 by Molmil](/molmil-images/mine/1fy1) | [R23S,F25E]HBP, A MUTANT OF HUMAN HEPARIN BINDING PROTEIN (CAP37) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ETHANOL, ... | Authors: | Kastrup, J.S, Linde, V, Pedersen, A.K, Stoffer, B, Iversen, L.F, Larsen, I.K, Rasmussen, P.B, Flodgaard, H.J, Bjorn, S.E. | Deposit date: | 2000-09-28 | Release date: | 2001-09-28 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Two mutants of human heparin binding protein (CAP37): toward the understanding of the nature of lipid A/LPS and BPTI binding. Proteins, 42, 2001
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8QXX
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![BU of 8qxx by Molmil](/molmil-images/mine/8qxx) | HCMV DNA polymerase processivity factor UL44 phosphorylated NLS 410-433 bound to mouse importin alpha 2 | Descriptor: | DNA polymerase processivity factor, Importin subunit alpha-1 | Authors: | Cross, E.M, Marin, O, Ariawan, D, Aragao, D, Cozza, G, Di Iorio, E, Forwood, J.K, Alvisi, G. | Deposit date: | 2023-10-25 | Release date: | 2023-11-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural determinants of phosphorylation-dependent nuclear transport of HCMV DNA polymerase processivity factor UL44. Febs Lett., 598, 2024
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8QXW
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![BU of 8qxw by Molmil](/molmil-images/mine/8qxw) | HCMV DNA polymerase processivity factor UL44 unphosphorylated NLS 410-433 bound to mouse importin alpha 2 | Descriptor: | DNA polymerase processivity factor, Importin subunit alpha-1 | Authors: | Cross, E.M, Marin, O, Ariawan, D, Aragao, D, Cozza, G, Di Iorio, E, Forwood, J.K, Alvisi, G. | Deposit date: | 2023-10-25 | Release date: | 2023-11-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural determinants of phosphorylation-dependent nuclear transport of HCMV DNA polymerase processivity factor UL44. Febs Lett., 598, 2024
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4N5B
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![BU of 4n5b by Molmil](/molmil-images/mine/4n5b) | Crystal structure of the Nipah virus phosphoprotein tetramerization domain | Descriptor: | IMIDAZOLE, Phosphoprotein | Authors: | Bruhn, J.F, Barnett, K, Bibby, J, Thomas, J, Keegan, R, Rigden, D, Bornholdt, Z.A, Saphire, E.O. | Deposit date: | 2013-10-09 | Release date: | 2013-11-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of the nipah virus phosphoprotein tetramerization domain. J.Virol., 88, 2014
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4ZL5
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![BU of 4zl5 by Molmil](/molmil-images/mine/4zl5) | |
8QOE
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![BU of 8qoe by Molmil](/molmil-images/mine/8qoe) | Inward-facing conformation of the ABC transporter BmrA | Descriptor: | Multidrug resistance ABC transporter ATP-binding/permease protein BmrA | Authors: | Di Cesare, M, Kaplan, E, Valimehr, S, Hanssen, E, Orelle, C, Jault, J.M. | Deposit date: | 2023-09-28 | Release date: | 2023-12-20 | Last modified: | 2024-01-24 | Method: | ELECTRON MICROSCOPY (3.16 Å) | Cite: | The transport activity of the multidrug ABC transporter BmrA does not require a wide separation of the nucleotide-binding domains. J.Biol.Chem., 300, 2023
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3FK1
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![BU of 3fk1 by Molmil](/molmil-images/mine/3fk1) | E. coli EPSP synthase (TIPS mutation) liganded with S3P and glyphosate | Descriptor: | 3-phosphoshikimate 1-carboxyvinyltransferase, FORMIC ACID, N-(phosphonomethyl)glycine, ... | Authors: | Schonbrunn, E. | Deposit date: | 2008-12-15 | Release date: | 2009-02-17 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural Basis of Glyphosate Resistance Resulting from the Double Mutation Thr97 -> Ile and Pro101 -> Ser in 5-Enolpyruvylshikimate-3-phosphate Synthase from Escherichia coli. J.Biol.Chem., 284, 2009
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8RAI
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![BU of 8rai by Molmil](/molmil-images/mine/8rai) | Crystal structure of D-amino acid transaminase from Haliscomenobacter hydrossis point mutant R90I complexed with phenylhydrazine | Descriptor: | Aminotransferase class IV, GLYCEROL, [6-methyl-5-oxidanyl-4-[(2-phenylhydrazinyl)methyl]pyridin-3-yl]methyl dihydrogen phosphate | Authors: | Matyuta, I.O, Bakunova, A.K, Minyaev, M.E, Popov, V.O, Bezsudnova, E.Y, Boyko, K.M. | Deposit date: | 2023-12-01 | Release date: | 2023-12-27 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Multifunctionality of arginine residues in the active sites of non-canonical d-amino acid transaminases. Arch.Biochem.Biophys., 756, 2024
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8RAF
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![BU of 8raf by Molmil](/molmil-images/mine/8raf) | Crystal structure of D-amino acid transaminase from Haliscomenobacter hydrossis point mutant R90I (holo form) | Descriptor: | Aminotransferase class IV, PYRIDOXAL-5'-PHOSPHATE | Authors: | Matyuta, I.O, Bakunova, A.K, Minyaev, M.E, Popov, V.O, Bezsudnova, E.Y, Boyko, K.M. | Deposit date: | 2023-12-01 | Release date: | 2023-12-27 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Multifunctionality of arginine residues in the active sites of non-canonical d-amino acid transaminases. Arch.Biochem.Biophys., 756, 2024
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1G7H
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![BU of 1g7h by Molmil](/molmil-images/mine/1g7h) | CRYSTAL STRUCTURE OF HEN EGG WHITE LYSOZYME (HEL) COMPLEXED WITH THE MUTANT ANTI-HEL MONOCLONAL ANTIBODY D1.3(VLW92A) | Descriptor: | ANTI-HEN EGG WHITE LYSOZYME MONOCLONAL ANTIBODY D1.3, LYSOZYME C | Authors: | Sundberg, E.J, Urrutia, M, Braden, B.C, Isern, J, Mariuzza, R.A. | Deposit date: | 2000-11-10 | Release date: | 2000-11-22 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Estimation of the hydrophobic effect in an antigen-antibody protein-protein interface. Biochemistry, 39, 2000
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7LDY
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![BU of 7ldy by Molmil](/molmil-images/mine/7ldy) | HIV-1 Protease WT (NL4-3) in Complex with TMC-126 | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL [(1S,2R)-1-BENZYL-2-HYDROXY-3-{ISOBUTYL[(4-METHOXYPHENYL)SULFONYL]AMINO}PROPYL]CARBAMATE, Protease, SULFATE ION | Authors: | Lockbaum, G.J, Rusere, L.N, Henes, M, Kosovrasti, K, Lee, S.K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A. | Deposit date: | 2021-01-14 | Release date: | 2022-07-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.984 Å) | Cite: | HIV-1 Protease Inhibitors with a P1 Phosphonate Modification Maintain Potency against Drug Resistant Variants by Increased van der Waals Contacts with Flaps Residues To Be Published
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3FJZ
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![BU of 3fjz by Molmil](/molmil-images/mine/3fjz) | E. coli EPSP synthase (T97I) liganded with S3P and glyphosate | Descriptor: | 3-phosphoshikimate 1-carboxyvinyltransferase, FORMIC ACID, N-(phosphonomethyl)glycine, ... | Authors: | Schonbrunn, E. | Deposit date: | 2008-12-15 | Release date: | 2009-02-17 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural Basis of Glyphosate Resistance Resulting from the Double Mutation Thr97 -> Ile and Pro101 -> Ser in 5-Enolpyruvylshikimate-3-phosphate Synthase from Escherichia coli. J.Biol.Chem., 284, 2009
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1G7J
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![BU of 1g7j by Molmil](/molmil-images/mine/1g7j) | CRYSTAL STRUCTURE OF HEN EGG WHITE LYSOZYME (HEL) COMPLEXED WITH THE MUTANT ANTI-HEL MONOCLONAL ANTIBODY D1.3 (VLW92H) | Descriptor: | ANTI-HEN EGG WHITE LYSOZYME MONOCLONAL ANTIBODY D1.3, LYSOZYME C | Authors: | Sundberg, E.J, Urrutia, M, Braden, B.C, Isern, J, Mariuzza, R.A. | Deposit date: | 2000-11-10 | Release date: | 2000-11-22 | Last modified: | 2021-10-27 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Estimation of the hydrophobic effect in an antigen-antibody protein-protein interface. Biochemistry, 39, 2000
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7LE0
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![BU of 7le0 by Molmil](/molmil-images/mine/7le0) | HIV-1 Protease WT (NL4-3) in Complex with a Darunavir Derivative | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[(1,3-benzothiazol-6-yl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate, Protease, SULFATE ION | Authors: | Lockbaum, G.J, Rusere, L.N, Henes, M, Kosovrasti, K, Lee, S.K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A. | Deposit date: | 2021-01-14 | Release date: | 2022-07-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.952 Å) | Cite: | HIV-1 Protease Inhibitors with a P1 Phosphonate Modification Maintain Potency against Drug Resistant Variants by Increased van der Waals Contacts with Flaps Residues To Be Published
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7LE2
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![BU of 7le2 by Molmil](/molmil-images/mine/7le2) | HIV-1 Protease WT (NL4-3) in Complex with UMass4 | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-3-{(1,3-benzodioxol-5-ylsulfonyl)[(2S)-2-methylbutyl]amino}-1-benzyl-2-hydroxypropyl]carbamate, Protease, SULFATE ION | Authors: | Lockbaum, G.J, Rusere, L.N, Henes, M, Kosovrasti, K, Lee, S.K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A. | Deposit date: | 2021-01-14 | Release date: | 2022-07-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.971 Å) | Cite: | HIV-1 Protease Inhibitors with a P1 Phosphonate Modification Maintain Potency against Drug Resistant Variants by Increased van der Waals Contacts with Flaps Residues To Be Published
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7LE1
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![BU of 7le1 by Molmil](/molmil-images/mine/7le1) | HIV-1 Protease WT (NL4-3) in Complex with UMass2 | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl][(2S)-2-methylbutyl]amino}propyl]carbamate, Protease, SULFATE ION | Authors: | Lockbaum, G.J, Rusere, L.N, Henes, M, Kosovrasti, K, Lee, S.K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A. | Deposit date: | 2021-01-14 | Release date: | 2022-07-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.001 Å) | Cite: | HIV-1 Protease Inhibitors with a P1 Phosphonate Modification Maintain Potency against Drug Resistant Variants by Increased van der Waals Contacts with Flaps Residues To Be Published
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7LDZ
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![BU of 7ldz by Molmil](/molmil-images/mine/7ldz) | HIV-1 Protease WT (NL4-3) in Complex with GRL-98065 | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(2S,3R)-3-HYDROXY-4-(N-ISOBUTYLBENZO[D][1,3]DIOXOLE-5-SULFONAMIDO)-1-PHENYLBUTAN-2-YLCARBAMATE, Protease, SULFATE ION | Authors: | Lockbaum, G.J, Rusere, L.N, Henes, M, Kosovrasti, K, Lee, S.K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A. | Deposit date: | 2021-01-14 | Release date: | 2022-07-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.861 Å) | Cite: | HIV-1 Protease Inhibitors with a P1 Phosphonate Modification Maintain Potency against Drug Resistant Variants by Increased van der Waals Contacts with Flaps Residues To Be Published
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2PLA
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![BU of 2pla by Molmil](/molmil-images/mine/2pla) | Crystal structure of human glycerol-3-phosphate dehydrogenase 1-like protein | Descriptor: | CHLORIDE ION, Glycerol-3-phosphate dehydrogenase 1-like protein, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Uppenberg, J, Smee, C, Hozjan, V, Kavanagh, K, Bunkoczi, G, Papagrigoriou, E, Pike, A.C.W, Ugochukwu, E, Umeano, C, von Delft, F, Weigelt, J, Arrowsmith, C.H, Edwards, A, Sundstrom, M, Oppermann, U, Structural Genomics Consortium (SGC) | Deposit date: | 2007-04-19 | Release date: | 2007-05-01 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Crystal structure of human glycerol-3-phosphate dehydrogenase 1-like protein. To be Published
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2PQ5
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![BU of 2pq5 by Molmil](/molmil-images/mine/2pq5) | Crystal structure of Dual specificity protein phosphatase 13 (DUSP13) | Descriptor: | Dual specificity protein phosphatase 13 | Authors: | Ugochukwu, E, Salah, E, Savitsky, P, Barr, A, Pantic, N, Niesen, F, Burgess-Brown, N, Berridge, G, Bunkoczi, G, Uppenberg, J, Pike, A.C.W, Sundstrom, M, Arrowsmith, C.H, Weigelt, J, Edwards, A, von Delft, F, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2007-05-01 | Release date: | 2007-05-22 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of Dual specificity protein phosphatase 13 (DUSP13). To be Published
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7LYX
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![BU of 7lyx by Molmil](/molmil-images/mine/7lyx) | Crystal structure of human CYP8B1 in complex with (S)-tioconazole | Descriptor: | (S)-Tioconazole, 7-alpha-hydroxycholest-4-en-3-one 12-alpha-hydroxylase, GLYCEROL, ... | Authors: | Liu, J, Scott, E.E. | Deposit date: | 2021-03-08 | Release date: | 2022-08-17 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | The structure and characterization of human cytochrome P450 8B1 supports future drug design for nonalcoholic fatty liver disease and diabetes. J.Biol.Chem., 298, 2022
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3SWD
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![BU of 3swd by Molmil](/molmil-images/mine/3swd) | E. coli MurA in complex with UDP-N-acetylmuramic acid and covalent adduct of PEP with Cys115 | Descriptor: | (2R)-2-{[(2R,3R,4R,5S,6R)-3-(acetylamino)-2-{[(S)-{[(R)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}propanoic acid, UDP-N-acetylglucosamine 1-carboxyvinyltransferase | Authors: | Zhu, J.-Y, Schonbrunn, E. | Deposit date: | 2011-07-13 | Release date: | 2012-03-14 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Functional Consequence of Covalent Reaction of Phosphoenolpyruvate with UDP-N-acetylglucosamine 1-Carboxyvinyltransferase (MurA). J.Biol.Chem., 287, 2012
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1G83
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![BU of 1g83 by Molmil](/molmil-images/mine/1g83) | CRYSTAL STRUCTURE OF FYN SH3-SH2 | Descriptor: | PROTO-ONCOGENE TYROSINE-PROTEIN KINASE FYN | Authors: | Arold, S.T, Ulmer, T.S, Mulhern, T.D, Werner, J.M, Ladbury, J.E, Campbell, I.D, Noble, M.E.M. | Deposit date: | 2000-11-16 | Release date: | 2001-05-30 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | The role of the Src homology 3-Src homology 2 interface in the regulation of Src kinases. J.Biol.Chem., 276, 2001
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4EEB
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![BU of 4eeb by Molmil](/molmil-images/mine/4eeb) | CorA coiled-coil mutant under Mg2+ absence | Descriptor: | CESIUM ION, Magnesium transport protein CorA, SODIUM ION | Authors: | Pfoh, R, Pai, E.F. | Deposit date: | 2012-03-28 | Release date: | 2012-11-14 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.8 Å) | Cite: | Structural asymmetry in the magnesium channel CorA points to sequential allosteric regulation. Proc.Natl.Acad.Sci.USA, 109, 2012
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8RQU
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![BU of 8rqu by Molmil](/molmil-images/mine/8rqu) | Structure of TEM1 beta-lactamase variant 70.a | Descriptor: | Beta-lactamase TEM-1, MAGNESIUM ION | Authors: | Napier, E, Fram, B.F, Gauthier, N.P, Sander, C, Khan, A.R. | Deposit date: | 2024-01-19 | Release date: | 2024-02-14 | Last modified: | 2024-07-17 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Simultaneous enhancement of multiple functional properties using evolution-informed protein design. Nat Commun, 15, 2024
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3FOC
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![BU of 3foc by Molmil](/molmil-images/mine/3foc) | |