2LDA
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![BU of 2lda by Molmil](/molmil-images/mine/2lda) | Solution structure of the estrogen receptor-binding stapled peptide SP2 (Ac-HKXLHQXLQDS-NH2) | Descriptor: | Estrogen receptor-binding stapled peptide SP2 | Authors: | Phillips, C, Bazin, R, Bent, A, Davies, N, Moore, R, Pannifer, A, Pickford, A, Prior, S, Read, C, Roberts, L, Schade, M, Scott, A, Brown, D, Xu, B, Irving, S. | Deposit date: | 2011-05-20 | Release date: | 2011-07-06 | Last modified: | 2023-11-15 | Method: | SOLUTION NMR | Cite: | Design and structure of stapled peptides binding to estrogen receptors. J.Am.Chem.Soc., 133, 2011
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2FSR
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![BU of 2fsr by Molmil](/molmil-images/mine/2fsr) | Crystal Structure of the Acetyltransferase from Agrobacterium tumefaciens str. C58 | Descriptor: | DI(HYDROXYETHYL)ETHER, FORMIC ACID, acetyltransferase | Authors: | Kim, Y, Joachimiak, A, Xu, X, Gu, J, Edwards, A, Savchenko, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2006-01-23 | Release date: | 2006-03-07 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Crystal Structure of the Acetyltransferase from Agrobacterium tumefaciens str. C58 To be Published
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2G39
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![BU of 2g39 by Molmil](/molmil-images/mine/2g39) | Crystal structure of coenzyme A transferase from Pseudomonas aeruginosa | Descriptor: | 1,2-ETHANEDIOL, ACETIC ACID, Acetyl-CoA hydrolase | Authors: | Chang, C, Evdokimova, E, Kudritska, M, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2006-02-17 | Release date: | 2006-04-04 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of coenzyme A transferase from Pseudomonas aeruginosa To be Published
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2FRE
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![BU of 2fre by Molmil](/molmil-images/mine/2fre) | The crystal structure of the oxidoreductase containing FMN | Descriptor: | FLAVIN MONONUCLEOTIDE, NAD(P)H-flavin oxidoreductase | Authors: | Zhang, R, Xu, X, Zheng, H, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2006-01-19 | Release date: | 2006-03-07 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The crystal structure of the oxidoreductase containing FMN from Agrobacterium tumefaciens To be Published
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5I17
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![BU of 5i17 by Molmil](/molmil-images/mine/5i17) | CRYSTAL STRUCTURE OF HUMAN GERMLINE ANTIBODY IGHV1-69/IGKV3-20 | Descriptor: | FAB HEAVY CHAIN, FAB LIGHT CHAIN, SULFATE ION | Authors: | Teplyakov, A, Obmolova, G, Malia, T, Luo, J, Gilliland, G. | Deposit date: | 2016-02-05 | Release date: | 2016-06-08 | Last modified: | 2016-08-03 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Structural diversity in a human antibody germline library. Mabs, 8, 2016
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3MO4
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![BU of 3mo4 by Molmil](/molmil-images/mine/3mo4) | The crystal structure of an alpha-(1-3,4)-fucosidase from Bifidobacterium longum subsp. infantis ATCC 15697 | Descriptor: | Alpha-1,3/4-fucosidase, FORMIC ACID, TYROSINE | Authors: | Tan, K, Xu, X, Cui, H, Ng, J, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2010-04-22 | Release date: | 2010-05-12 | Last modified: | 2012-10-10 | Method: | X-RAY DIFFRACTION (1.901 Å) | Cite: | Bifidobacterium longum subsp. infantis ATCC 15697 alpha-fucosidases are active on fucosylated human milk oligosaccharides. Appl.Environ.Microbiol., 78, 2012
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3E4F
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![BU of 3e4f by Molmil](/molmil-images/mine/3e4f) | Crystal structure of BA2930- a putative aminoglycoside N3-acetyltransferase from Bacillus anthracis | Descriptor: | Aminoglycoside N3-acetyltransferase, CITRIC ACID | Authors: | Klimecka, M.M, Chruszcz, M, Skarina, T, Onopryienko, O, Cymborowski, M, Savchenko, A, Edwards, A, Anderson, W, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2008-08-11 | Release date: | 2008-08-19 | Last modified: | 2022-04-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Analysis of a Putative Aminoglycoside N-Acetyltransferase from Bacillus anthracis. J.Mol.Biol., 410, 2011
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8A8C
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![BU of 8a8c by Molmil](/molmil-images/mine/8a8c) | T5 phage receptor-binding protein pb5 bound to ferrichrome transporter FhuA | Descriptor: | Ferrichrome outer membrane transporter/phage receptor, Receptor-binding protein pb5, [(2R,3S,4R,5R,6R)-2-[[(2R,4R,5R,6R)-6-[(1R)-1,2-bis(oxidanyl)ethyl]-4-[(2R,4R,5R,6R)-6-[(1R)-1,2-bis(oxidanyl)ethyl]-2-carboxy-4,5-bis(oxidanyl)oxan-2-yl]oxy-2-carboxy-5-oxidanyl-oxan-2-yl]oxymethyl]-5-[[(3R)-3-dodecanoyloxytetradecanoyl]amino]-4-(3-nonanoyloxypropanoyloxy)-6-[[(2R,3S,4R,5R,6R)-3-oxidanyl-4-[(3S)-3-oxidanyltetradecanoyl]oxy-5-[[(3R)-3-oxidanyltridecanoyl]amino]-6-phosphonatooxy-oxan-2-yl]methoxy]oxan-3-yl] phosphate | Authors: | Silale, A, van den Berg, B. | Deposit date: | 2022-06-22 | Release date: | 2022-10-05 | Last modified: | 2022-11-16 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structural basis for host recognition and superinfection exclusion by bacteriophage T5. Proc.Natl.Acad.Sci.USA, 119, 2022
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5A7W
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![BU of 5a7w by Molmil](/molmil-images/mine/5a7w) | Crystal structure of human JMJD2A in complex with compound 35 | Descriptor: | 1,2-ETHANEDIOL, 2-[5-[(4-hydroxyphenyl)carbonylamino]-2-oxidanyl-phenyl]pyridine-4-carboxylic acid, DIMETHYL SULFOXIDE, ... | Authors: | Nowak, R, Velupillai, S, Krojer, T, Gileadi, C, Johansson, C, Korczynska, M, Le, D.D, Younger, N, Gregori-Puigjane, E, Tumber, A, Iwasa, E, Pollock, S.B, Ortiz Torres, I, Kopec, J, Tallant, C, Froese, S, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Shoichet, B.K, Fujimori, D.G, Oppermann, U. | Deposit date: | 2015-07-10 | Release date: | 2016-01-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Docking and Linking of Fragments to Discover Jumonji Histone Demethylase Inhibitors. J.Med.Chem., 59, 2016
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5LAX
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![BU of 5lax by Molmil](/molmil-images/mine/5lax) | Crystal structure of HLA_DRB1*04:01 in complex with alpha-enolase peptide 26-40 | Descriptor: | HLA class II histocompatibility antigen, DR alpha chain, DRB1-4 beta chain, ... | Authors: | Dubnovitsky, A, Kozhukh, G, Sandalova, T, Achour, A. | Deposit date: | 2016-06-15 | Release date: | 2016-12-07 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Functional and Structural Characterization of a Novel HLA-DRB1*04:01-Restricted alpha-Enolase T Cell Epitope in Rheumatoid Arthritis. Front Immunol, 7, 2016
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3MQ4
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![BU of 3mq4 by Molmil](/molmil-images/mine/3mq4) | Metabotropic glutamate receptor mGluR7 complexed with LY341495 antagonist | Descriptor: | 2-[(1S,2S)-2-carboxycyclopropyl]-3-(9H-xanthen-9-yl)-D-alanine, MAGNESIUM ION, Metabotropic glutamate receptor 7 | Authors: | Dobrovetsky, E, Khutoreskaya, G, Seitova, A, He, H, Weigelt, J, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Cossar, D, Bochkarev, A, Structural Genomics Consortium (SGC) | Deposit date: | 2010-04-27 | Release date: | 2010-06-09 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | mGluR7 complexed with LY341495 To be Published
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5AA8
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![BU of 5aa8 by Molmil](/molmil-images/mine/5aa8) | Structure of C1156Y,L1198F Mutant Human Anaplastic Lymphoma Kinase in Complex with PF-06463922 ((10R)-7-amino-12-fluoro-2,10,16-trimethyl- 15-oxo-10,15,16,17-tetrahydro-2H-8,4-(metheno)pyrazolo(4,3-h)(2,5,11) benzoxadiazacyclotetradecine-3-carbonitrile). | Descriptor: | (10R)-7-amino-12-fluoro-2,10,16-trimethyl-15-oxo-10,15,16,17-tetrahydro-2H-8,4-(metheno)pyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecine-3-carbonitrile, ALK TYROSINE KINASE RECEPTOR | Authors: | McTigue, M, Deng, Y.-L, Liu, W, Brooun, A, Stewart, A. | Deposit date: | 2015-07-23 | Release date: | 2016-06-08 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Resensitization to Crizotinib by the Lorlatinib Alk Resistance Mutation L1198F. N.Engl.J.Med., 374, 2016
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5DXU
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![BU of 5dxu by Molmil](/molmil-images/mine/5dxu) | p110delta/p85alpha with GDC-0326 | Descriptor: | (2S)-2-({2-[1-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}oxy)propanamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | Authors: | Heffron, T.P, Heald, R.A, Ndubaku, C, Wei, B.Q, Augustin, M, Do, S, Edgar, K, Eigenbrot, C, Friedman, L, Gancia, E, Jackson, P.S, Jones, G, Kolesnikov, A, Lee, L.B, Lesnick, J.D, Lewis, C, McLean, N, Mortle, M, Nonomiya, J, Pang, J, Price, S, Prior, W.W, Salphati, L, Sideris, S, Staben, S.T, Steinbacher, S, Tsui, V, Wallin, J, Sampath, D, Olivero, A. | Deposit date: | 2015-09-23 | Release date: | 2016-01-27 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.64 Å) | Cite: | The Rational Design of Selective Benzoxazepin Inhibitors of the alpha-Isoform of Phosphoinositide 3-Kinase Culminating in the Identification of (S)-2-((2-(1-Isopropyl-1H-1,2,4-triazol-5-yl)-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepin-9-yl)oxy)propanamide (GDC-0326). J.Med.Chem., 59, 2016
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3M6V
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![BU of 3m6v by Molmil](/molmil-images/mine/3m6v) | Multi-site-specific 16S rRNA methyltransferase RsmF from Thermus thermophilus in space group P2 in complex with S-Adenosyl-L-Methionine | Descriptor: | S-ADENOSYLMETHIONINE, rRNA methylase | Authors: | Demirci, H, Larsen, H.G.L, Hansen, T, Rasmussen, A, Cadambi, A, Gregory, S.T, Kirpekar, F, Jogl, G. | Deposit date: | 2010-03-16 | Release date: | 2010-03-31 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Multi-site-specific 16S rRNA methyltransferase RsmF from Thermus thermophilus. Rna, 16, 2010
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5A7S
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![BU of 5a7s by Molmil](/molmil-images/mine/5a7s) | Crystal structure of human JMJD2A in complex with compound 44 | Descriptor: | 1,2-ETHANEDIOL, 2-(5-acetamido-2-oxidanyl-phenyl)pyridine-4-carboxylic acid, DIMETHYL SULFOXIDE, ... | Authors: | Nowak, R, Velupillai, S, Krojer, T, Gileadi, C, Johansson, C, Korczynska, M, Le, D.D, Younger, N, Gregori-Puigjane, E, Tumber, A, Iwasa, E, Pollock, S.B, Ortiz Torres, I, Kopec, J, Tallant, C, Froese, S, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Shoichet, B.K, Fujimori, D.G, Oppermann, U. | Deposit date: | 2015-07-09 | Release date: | 2016-01-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Docking and Linking of Fragments to Discover Jumonji Histone Demethylase Inhibitors. J.Med.Chem., 59, 2016
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2RU4
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![BU of 2ru4 by Molmil](/molmil-images/mine/2ru4) | Designed Armadillo Repeat Protein Self-ASsembled Complex (YIIM2-MAII) | Descriptor: | Armadillo Repeat Protein, C-terminal fragment, MAII, ... | Authors: | Zerbe, O, Christen, M.T, Plueckthun, A, Watson, R.P. | Deposit date: | 2013-11-22 | Release date: | 2014-07-23 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Spontaneous self-assembly of engineered armadillo repeat protein fragments into a folded structure Structure, 22, 2014
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1SI4
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![BU of 1si4 by Molmil](/molmil-images/mine/1si4) | Crystal structure of Human hemoglobin A2 (in R2 state) at 2.2 A resolution | Descriptor: | CYANIDE ION, Hemoglobin alpha chain, Hemoglobin delta chain, ... | Authors: | Sen, U, Dasgupta, J, Choudhury, D, Datta, P, Chakrabarti, A, Chakrabarty, S.B, Chakrabarty, A, Dattagupta, J.K. | Deposit date: | 2004-02-27 | Release date: | 2004-10-26 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structures of HbA2 and HbE and modeling of hemoglobin delta4: interpretation of the thermal stability and the antisickling effect of HbA2 and identification of the ferrocyanide binding site in Hb. Biochemistry, 43, 2004
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4MAK
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![BU of 4mak by Molmil](/molmil-images/mine/4mak) | Crystal structure of a putative ssRNA endonuclease Cas2, CRISPR adaptation protein from E.coli | Descriptor: | CRISPR-associated endoribonuclease Cas2, DI(HYDROXYETHYL)ETHER | Authors: | Nocek, B, Skarina, T, Brown, G, Yakunin, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2013-08-16 | Release date: | 2013-09-04 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Crystal structure of a putative ssRNA endonuclease Cas2, CRISPR adaptation protein from E.coli TO BE PUBLISHED
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4MF3
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![BU of 4mf3 by Molmil](/molmil-images/mine/4mf3) | Crystal Structure of Human GRIK1 complexed with a 6-(tetrazolyl)aryl decahydroisoquinoline antagonist | Descriptor: | (3S,4aS,6S,8aR)-6-[3-chloro-2-(1H-tetrazol-5-yl)phenoxy]decahydroisoquinoline-3-carboxylic acid, Glutamate receptor ionotropic, kainate 1 | Authors: | Martinez-Perez, J.A, Iyengar, S, Shannon, H.E, Bleakman, D, Alt, A, Clawson, D.K, Arnold, B.M, Bell, M.G, Bleisch, T.J, Castano, A.M, Del Prado, M, Dominguez, E, Escribano, A.M, Filla, S.A, Ho, K.H, Hudziak, K.J, Jones, C.K, Katofiasc, M.A, Mateo, A, Mathes, B.M, Mattiuz, E.L, Ogden, A.M.L, Phebus, L.A, Simmons, R.M.A, Stack, D.R, Stratford, R.E, Winter, M.A, Wu, Z, Ornstein, P.L. | Deposit date: | 2013-08-27 | Release date: | 2014-05-07 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | GluK1 antagonists from 6-(tetrazolyl)phenyl decahydroisoquinoline derivatives: in vitro profile and in vivo analgesic efficacy. Bioorg.Med.Chem.Lett., 23, 2013
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3MAC
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![BU of 3mac by Molmil](/molmil-images/mine/3mac) | crystal structure of GP41-derived protein complexed with fab 8062 | Descriptor: | Fab8062, Transmembrane glycoprotein | Authors: | Li, M, Gustchina, E, Louis, J, Gustchina, A, Wlodawer, A, Clore, M. | Deposit date: | 2010-03-23 | Release date: | 2010-12-08 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural Basis of HIV-1 Neutralization by Affinity Matured Fabs Directed against the Internal Trimeric Coiled-Coil of gp41. Plos Pathog., 6, 2010
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7ZZK
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![BU of 7zzk by Molmil](/molmil-images/mine/7zzk) | Structure of the N-acetyl-D-glucosamine oxidase from Ralstonia Solanacearum | Descriptor: | ALANINE, DI(HYDROXYETHYL)ETHER, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Boverio, A, Rozeboom, H.J, Fraaije, M.W. | Deposit date: | 2022-05-25 | Release date: | 2022-08-03 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural Elucidation and Engineering of a Bacterial Carbohydrate Oxidase. Biochemistry, 62, 2023
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7PEN
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![BU of 7pen by Molmil](/molmil-images/mine/7pen) | |
7ZOT
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![BU of 7zot by Molmil](/molmil-images/mine/7zot) | |
7PTM
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![BU of 7ptm by Molmil](/molmil-images/mine/7ptm) | Crystal Structure of Two-Domain Laccase mutant M199G/R240H from Streptomyces griseoflavus | Descriptor: | COPPER (II) ION, GLYCEROL, OXYGEN MOLECULE, ... | Authors: | Gabdulkhakov, A, Tishchenko, S, Kolyadenko, I. | Deposit date: | 2021-09-27 | Release date: | 2022-01-19 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Engineering the Catalytic Properties of Two-Domain Laccase from Streptomyces griseoflavus Ac-993. Int J Mol Sci, 23, 2021
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7PU0
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![BU of 7pu0 by Molmil](/molmil-images/mine/7pu0) | |