2JLX
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![BU of 2jlx by Molmil](/molmil-images/mine/2jlx) | Dengue virus 4 NS3 helicase in complex with ssRNA and ADP-Vanadate | Descriptor: | 5'-R(*AP*GP*AP*CP*UP*AP*AP*CP*AP*AP*CP*U)-3', ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ... | Authors: | Luo, D.H, Xu, T, Watson, R.P, Becker, D.S, Sampath, A, Jahnke, W, Yeong, S.S, Wang, C.H, Lim, S.P, Vasudevan, S.G, Lescar, J. | Deposit date: | 2008-09-15 | Release date: | 2008-11-25 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Insights Into RNA Unwinding and ATP Hydrolysis by the Flavivirus Ns3 Protein. Embo J., 27, 2008
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2X8J
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![BU of 2x8j by Molmil](/molmil-images/mine/2x8j) | Intracellular subtilisin precursor from B. clausii | Descriptor: | GLYCEROL, INTRACELLULAR SUBTILISIN PROTEASE, PENTAETHYLENE GLYCOL, ... | Authors: | Vedodova, J, Gamble, M, Ariza, A, Dodson, E, Jones, D.D, Wilson, K.S. | Deposit date: | 2010-03-09 | Release date: | 2010-08-11 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Crystal structure of an intracellular subtilisin reveals novel structural features unique to this subtilisin family. Structure, 18, 2010
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2WIJ
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![BU of 2wij by Molmil](/molmil-images/mine/2wij) | NONAGED FORM OF HUMAN BUTYRYLCHOLINESTERASE INHIBITED BY TABUN ANALOGUE TA5 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | Authors: | Carletti, E, Aurbek, N, Gillon, E, Loiodice, M, Nicolet, Y, Fontecilla, J, Masson, P, Thiermann, H, Nachon, F, Worek, F. | Deposit date: | 2009-05-12 | Release date: | 2009-05-19 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure-activity analysis of aging and reactivation of human butyrylcholinesterase inhibited by analogues of tabun. Biochem. J., 421, 2009
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2IYI
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![BU of 2iyi by Molmil](/molmil-images/mine/2iyi) | structure of a light-induced intermediate of the BLUF domain of the rhodobacterial protein AppA | Descriptor: | (2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, APPA, ... | Authors: | Jung, A, Reinstein, J, Domratcheva, T, Shoeman, R.-L, Schlichting, I. | Deposit date: | 2006-07-17 | Release date: | 2006-09-06 | Last modified: | 2018-03-28 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Crystal structures of the AppA BLUF domain photoreceptor provide insights into blue light-mediated signal transduction. J. Mol. Biol., 362, 2006
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5T30
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![BU of 5t30 by Molmil](/molmil-images/mine/5t30) | Human MnSOD-azide complex | Descriptor: | AZIDE ION, MANGANESE (II) ION, PHOSPHATE ION, ... | Authors: | Azadmanesh, J, Trickel, S.R, Kolar, C.H, Lovelace, J.J, Borgstahl, G.E.O. | Deposit date: | 2016-08-24 | Release date: | 2017-05-17 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Substrate-analog binding and electrostatic surfaces of human manganese superoxide dismutase. J. Struct. Biol., 199, 2017
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3EK7
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![BU of 3ek7 by Molmil](/molmil-images/mine/3ek7) | Calcium-saturated GCaMP2 dimer | Descriptor: | CALCIUM ION, Myosin light chain kinase, Green fluorescent protein, ... | Authors: | Akerboom, J, Velez Rivera, J.D, Looger, L.L, Schreiter, E.R. | Deposit date: | 2008-09-18 | Release date: | 2008-12-16 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Crystal Structures of the GCaMP Calcium Sensor Reveal the Mechanism of Fluorescence Signal Change and Aid Rational Design J.Biol.Chem., 284, 2009
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5T55
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![BU of 5t55 by Molmil](/molmil-images/mine/5t55) | LECTIN FROM BAUHINIA FORFICATA IN COMPLEX WITH GLOBOTETRAOSE | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-galactopyranose-(1-3)-alpha-D-galactopyranose-(1-4)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-galactopyranose-(1-3)-beta-D-galactopyranose, ... | Authors: | Lubkowski, J, Wlodawer, A. | Deposit date: | 2016-08-30 | Release date: | 2016-12-28 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | Structural analysis and unique molecular recognition properties of a Bauhinia forficata lectin that inhibits cancer cell growth. FEBS J., 284, 2017
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1A34
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![BU of 1a34 by Molmil](/molmil-images/mine/1a34) | SATELLITE TOBACCO MOSAIC VIRUS/RNA COMPLEX | Descriptor: | PROTEIN (SATELLITE TOBACCO MOSAIC VIRUS), RNA (5'-R(P*AP*AP*AP*AP*AP*AP*AP*AP*AP*A)-3'), RNA (5'-R(P*UP*UP*UP*UP*UP*UP*UP*UP*UP*U)-3'), ... | Authors: | Larson, S.B, Day, J, Greenwood, A.J, McPherson, A. | Deposit date: | 1998-01-28 | Release date: | 1998-04-29 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Refined structure of satellite tobacco mosaic virus at 1.8 A resolution. J.Mol.Biol., 277, 1998
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5T5L
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![BU of 5t5l by Molmil](/molmil-images/mine/5t5l) | LECTIN FROM BAUHINIA FORFICATA IN COMPLEX WITH TN-PEPTIDE | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-alpha-D-galactopyranose, CALCIUM ION, ... | Authors: | Lubkowski, J, Wlodawer, A. | Deposit date: | 2016-08-31 | Release date: | 2016-12-28 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.17 Å) | Cite: | Structural analysis and unique molecular recognition properties of a Bauhinia forficata lectin that inhibits cancer cell growth. FEBS J., 284, 2017
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5OHX
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![BU of 5ohx by Molmil](/molmil-images/mine/5ohx) | Structure of active cystathionine B-synthase from Apis mellifera | Descriptor: | Cystathionine beta-synthase, PROTOPORPHYRIN IX CONTAINING FE, PYRIDOXAL-5'-PHOSPHATE | Authors: | Gimenez-Mascarell, P, Majtan, T, Oyenarte, I, Ereno-Orbea, J, Majtan, J, Kraus, J.P, Klaudiny, J, Martinez-Cruz, L.A. | Deposit date: | 2017-07-18 | Release date: | 2018-01-03 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Crystal structure of cystathionine beta-synthase from honeybee Apis mellifera. J. Struct. Biol., 202, 2018
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3S3I
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![BU of 3s3i by Molmil](/molmil-images/mine/3s3i) | p38 kinase crystal structure in complex with small molecule inhibitor | Descriptor: | 3-(3-tert-butyl[1,2,4]triazolo[4,3-a]pyridin-7-yl)-N-cyclopropyl-4-methylbenzamide, Mitogen-activated protein kinase 14 | Authors: | Segarra, V, Aiguade, J, Roca, R, Fisher, M, Lamers, M. | Deposit date: | 2011-05-18 | Release date: | 2012-04-04 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Novel triazolopyridylbenzamides as potent and selective p38 alpha inhibitors. Bioorg.Med.Chem.Lett., 22, 2012
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2J90
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![BU of 2j90 by Molmil](/molmil-images/mine/2j90) | Crystal structure of human ZIP kinase in complex with a tetracyclic pyridone inhibitor (Pyridone 6) | Descriptor: | 1,2-ETHANEDIOL, 2-TERT-BUTYL-9-FLUORO-3,6-DIHYDRO-7H-BENZ[H]-IMIDAZ[4,5-F]ISOQUINOLINE-7-ONE, CHLORIDE ION, ... | Authors: | Turnbull, A.P, Berridge, G, Fedorov, O, Pike, A.C.W, Savitsky, P, Eswaran, J, Papagrigoriou, E, Ugochukwa, E, von Delft, F, Gileadi, O, Arrowsmith, C.H, Edwards, A, Weigelt, J, Sundstrom, M, Knapp, S. | Deposit date: | 2006-10-31 | Release date: | 2006-11-07 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Activation Segment Dimerization: A Mechanism for Kinase Autophosphorylation of Non-Consensus Sites. Embo J., 27, 2008
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2WID
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![BU of 2wid by Molmil](/molmil-images/mine/2wid) | NONAGED FORM OF HUMAN BUTYRYLCHOLINESTERASE INHIBITED BY TABUN ANALOGUE TA1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | Authors: | Carletti, E, Aurbek, N, Gillon, E, Loiodice, M, Nicolet, Y, Fontecilla, J, Masson, P, Thiermann, H, Nachon, F, Worek, F. | Deposit date: | 2009-05-11 | Release date: | 2009-05-19 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure-activity analysis of aging and reactivation of human butyrylcholinesterase inhibited by analogues of tabun. Biochem. J., 421, 2009
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5U88
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![BU of 5u88 by Molmil](/molmil-images/mine/5u88) | Crystal structure of a MerB-triimethyllead complex. | Descriptor: | ACETATE ION, Alkylmercury lyase, Trimethyllead bromide | Authors: | Wahba, H.M, Stevenson, M, Mansour, A, Sygusch, J, Wilcox, D.E, Omichinski, J.G. | Deposit date: | 2016-12-14 | Release date: | 2017-01-11 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.801 Å) | Cite: | Structural and Biochemical Characterization of Organotin and Organolead Compounds Binding to the Organomercurial Lyase MerB Provide New Insights into Its Mechanism of Carbon-Metal Bond Cleavage. J. Am. Chem. Soc., 139, 2017
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6FIL
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![BU of 6fil by Molmil](/molmil-images/mine/6fil) | DDR1, 2-[8-(1H-indazole-5-carbonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-methylacetamide, 1.730A, P212121, Rfree=24.5% | Descriptor: | 2-[8-(2~{H}-indazol-5-ylcarbonyl)-4-oxidanylidene-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-~{N}-methyl-ethanamide, Epithelial discoidin domain-containing receptor 1, IODIDE ION | Authors: | Stihle, M, Richter, H, Benz, J, Kuhn, B, Rudolph, M.G. | Deposit date: | 2018-01-19 | Release date: | 2018-11-28 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | DNA-Encoded Library-Derived DDR1 Inhibitor Prevents Fibrosis and Renal Function Loss in a Genetic Mouse Model of Alport Syndrome. Acs Chem.Biol., 14, 2019
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5U7B
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![BU of 5u7b by Molmil](/molmil-images/mine/5u7b) | Crystal structure of a the tin-bound form of MerB formed from Diethyltin. | Descriptor: | ACETATE ION, Alkylmercury lyase, BROMIDE ION, ... | Authors: | Wahba, H.M, Stevenson, M, Mansour, A, Sygusch, J, Wilcox, D.E, Omichinski, J.G. | Deposit date: | 2016-12-12 | Release date: | 2017-01-11 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural and Biochemical Characterization of Organotin and Organolead Compounds Binding to the Organomercurial Lyase MerB Provide New Insights into Its Mechanism of Carbon-Metal Bond Cleavage. J. Am. Chem. Soc., 139, 2017
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2IVT
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![BU of 2ivt by Molmil](/molmil-images/mine/2ivt) | |
6FEX
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![BU of 6fex by Molmil](/molmil-images/mine/6fex) | DDR1, 2-[4-bromo-2-oxo-1'-(1H-pyrazolo[4,3-b]pyridine-5-carbonyl)spiro[indole-3,4'-piperidine]-1-yl]-N-(2,2,2-trifluoroethyl)acetamide, 1.291A, P212121, Rfree=17.4% | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-[4-bromanyl-2-oxidanylidene-1'-(1~{H}-pyrazolo[4,3-b]pyridin-5-ylcarbonyl)spiro[indole-3,4'-piperidine]-1-yl]-~{N}-[2,2,2-tris(fluoranyl)ethyl]ethanamide, CHLORIDE ION, ... | Authors: | Stihle, M, Richter, H, Benz, J, Kuhn, B, Rudolph, M.G. | Deposit date: | 2018-01-03 | Release date: | 2018-11-28 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.291 Å) | Cite: | DNA-Encoded Library-Derived DDR1 Inhibitor Prevents Fibrosis and Renal Function Loss in a Genetic Mouse Model of Alport Syndrome. Acs Chem.Biol., 14, 2019
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2W4G
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![BU of 2w4g by Molmil](/molmil-images/mine/2w4g) | ISOMETRICALLY CONTRACTING INSECT ASYNCHRONOUS FLIGHT MUSCLE QUICK FROZEN AFTER A QUICK STRETCH STEP | Descriptor: | MYOSIN HEAVY CHAIN, SKELETAL MUSCLE, ADULT, ... | Authors: | Wu, S, Liu, J, Reedy, M.C, Tregear, R.T, Winkler, H, Franzini-Armstrong, C, Sasaki, H, Lucaveche, C, Goldman, Y.E, Reedy, M.K, Taylor, K.A. | Deposit date: | 2008-11-25 | Release date: | 2010-08-25 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (35 Å) | Cite: | Electron Tomography of Cryofixed, Isometrically Contracting Insect Flight Muscle Reveals Novel Actin-Myosin Interactions Plos One, 5, 2010
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3SXN
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![BU of 3sxn by Molmil](/molmil-images/mine/3sxn) | Mycobacterium tuberculosis Eis protein initiates modulation of host immune responses by acetylation of DUSP16/MKP-7 | Descriptor: | COENZYME A, Enhanced intracellular survival protein | Authors: | Kim, K.H, An, D.R, Yoon, J.Y, Kim, H.S, Yoon, H.J, Song, J.S, Im, H.N, Kim, J, Kim, D.J, Lee, S.J, Kim, H.J, Lee, J.Y, Suh, S.W. | Deposit date: | 2011-07-15 | Release date: | 2012-05-23 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Mycobacterium tuberculosis Eis protein initiates suppression of host immune responses by acetylation of DUSP16/MKP-7 Proc.Natl.Acad.Sci.USA, 109, 2012
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5UE4
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![BU of 5ue4 by Molmil](/molmil-images/mine/5ue4) | proMMP-9desFnII complexed to JNJ0966 INHIBITOR | Descriptor: | CALCIUM ION, Matrix metalloproteinase-9, SULFATE ION, ... | Authors: | Alexander, R.S, Spurlino, J, Milligan, C. | Deposit date: | 2016-12-29 | Release date: | 2017-09-13 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery of a highly selective chemical inhibitor of matrix metalloproteinase-9 (MMP-9) that allosterically inhibits zymogen activation. J. Biol. Chem., 292, 2017
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6EWT
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![BU of 6ewt by Molmil](/molmil-images/mine/6ewt) | Solution Structure of Rhabdopeptide NRPS Docking Domain Kj12B-NDD | Descriptor: | NRPS Kj12B-NDD | Authors: | Hacker, C, Cai, X, Kegler, C, Zhao, L, Weickhmann, A.K, Bode, H.B, Woehnert, J. | Deposit date: | 2017-11-06 | Release date: | 2018-10-31 | Last modified: | 2024-06-19 | Method: | SOLUTION NMR | Cite: | Structure-based redesign of docking domain interactions modulates the product spectrum of a rhabdopeptide-synthesizing NRPS. Nat Commun, 9, 2018
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2JLW
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![BU of 2jlw by Molmil](/molmil-images/mine/2jlw) | Dengue virus 4 NS3 helicase in complex with ssRNA2 | Descriptor: | 5'-R(*UP*AP*GP*AP*CP*UP*AP*AP*CP*AP*AP*CP*U)-3', GLYCEROL, PHOSPHATE ION, ... | Authors: | Luo, D.H, Xu, T, Watson, R.P, Becker, D.S, Sampath, A, Jahnke, W, Yeong, S.S, Wang, C.H, Lim, S.P, Vasudevan, S.G, Lescar, J. | Deposit date: | 2008-09-15 | Release date: | 2008-11-25 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Insights Into RNA Unwinding and ATP Hydrolysis by the Flavivirus Ns3 Protein Embo J., 27, 2008
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2W4T
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![BU of 2w4t by Molmil](/molmil-images/mine/2w4t) | ISOMETRICALLY CONTRACTING INSECT ASYNCHRONOUS FLIGHT MUSCLE | Descriptor: | MYOSIN ESSENTIAL LIGHT CHAIN, STRIATED ADDUCTOR MUSCLE, MYOSIN HEAVY CHAIN, ... | Authors: | Wu, S, Liu, J, Reedy, M.C, Tregear, R.T, Winkler, H, Franzini-Armstrong, C, Sasaki, H, Lucaveche, C, Goldman, Y.E, Reedy, M.K, Taylor, K.A. | Deposit date: | 2008-12-02 | Release date: | 2010-01-19 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (35 Å) | Cite: | Electron Tomography of Cryofixed, Isometrically Contracting Insect Flight Muscle Reveals Novel Actin-Myosin Interactions Plos One, 5, 2010
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1MZ9
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![BU of 1mz9 by Molmil](/molmil-images/mine/1mz9) | |