4PKL
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![BU of 4pkl by Molmil](/molmil-images/mine/4pkl) | Bromodomain of Trypanosoma brucei BDF2 With IBET-151 | Descriptor: | 7-(3,5-DIMETHYL-1,2-OXAZOL-4-YL)-8-METHOXY-1-[(1R)-1-(PYRIDIN-2-YL)ETHYL]-1H,2H,3H-IMIDAZO[4,5-C]QUINOLIN-2-ONE, Bromodomain factor 2, CHLORIDE ION, ... | Authors: | Debler, E.W. | Deposit date: | 2014-05-15 | Release date: | 2015-11-18 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.251 Å) | Cite: | Bromodomain Proteins Contribute to Maintenance of Bloodstream Form Stage Identity in the African Trypanosome. Plos Biol., 13, 2015
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8OSZ
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![BU of 8osz by Molmil](/molmil-images/mine/8osz) | Structural and functional studies of geldanamycin amide synthase ShGdmF | Descriptor: | 3-aminophenol, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Ewert, W, Zeilinger, C, Kirschning, A, Preller, M. | Deposit date: | 2023-04-20 | Release date: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.26 Å) | Cite: | Structural and functional studies of geldanamycin amide synthase ShGdmF To Be Published
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4CTC
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![BU of 4ctc by Molmil](/molmil-images/mine/4ctc) | Structure of the Human Anaplastic Lymphoma Kinase in Complex with the inhibitor 7-amino-3-cyclopropyl-12-fluoro-1,10,16-trimethyl-16,17- dihydro-1H-8,4-(metheno)pyrazolo(4,3-h)(2,5,11) benzoxadiazacyclotetradecin-15(10H)-one | Descriptor: | (10R)-7-amino-3-cyclopropyl-12-fluoro-1,10,16-trimethyl-16,17-dihydro-1H-8,4-(metheno)pyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecin-15(10H)-one, ALK TYROSINE KINASE RECEPTOR | Authors: | McTigue, M.A, Deng, Y.L, Liu, W, Brooun, A, Stewart, A.E. | Deposit date: | 2014-03-12 | Release date: | 2014-05-28 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Discovery of (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 (Pf-06463922), a Macrocyclic Inhibitor of Alk/Ros1 with Pre-Clinical Brain Exposure and Broad Spectrum Potency Against Alk-Resistant Mutations. J.Med.Chem., 57, 2014
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7VQD
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![BU of 7vqd by Molmil](/molmil-images/mine/7vqd) | Structure of MA1831 from Methanosarcina acetivorans in complex with farnesyl pyrophosphate and geranylgeranyl pyrophosphate. | Descriptor: | Di-trans-poly-cis-decaprenylcistransferase, FARNESYL DIPHOSPHATE, NerylNeryl pyrophosphate, ... | Authors: | Zhang, L.L, Chen, C.C, Liu, W.D, Huang, J.W, Zhang, X.W, Liu, B.B, Guo, R.T. | Deposit date: | 2021-10-19 | Release date: | 2022-08-31 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Structural insights to a bi-functional isoprenyl diphosphate synthase that can catalyze head-to-tail and head-to-middle condensation. Int.J.Biol.Macromol., 214, 2022
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8OSV
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![BU of 8osv by Molmil](/molmil-images/mine/8osv) | Structural and functional studies of geldanamycin amide synthase ShGdmF | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Ewert, W, Zeilinger, C, Kirschning, A, Preller, M. | Deposit date: | 2023-04-20 | Release date: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.28 Å) | Cite: | Structural and functional studies of geldanamycin amide synthase ShGdmF To Be Published
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3RTP
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![BU of 3rtp by Molmil](/molmil-images/mine/3rtp) | Design and synthesis of brain penetrant selective JNK inhibitors with improved pharmacokinetic properties for the prevention of neurodegeneration | Descriptor: | Mitogen-activated protein kinase 10, N-[4-cyano-3-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-(2-oxo-3,4-dihydroquinolin-1(2H)-yl)acetamide | Authors: | Bowers, S, Truong, A.P, Neitz, R.J, Hom, R.K, Sealy, J.M, Probst, G.D, Quincy, Q, Peterson, B, Chan, W, Galemmo Jr, R.A, Konradi, A.W, Sham, H.L, Pan, H, Lin, M, Yao, N, Artis, D.R, Zhang, H, Chen, L, Dryer, M, Samant, B, Zmolek, W, Wong, K, Lorentzen, C, Goldbach, E, Tonn, G, Quinn, K.P, Sauer, J, Wright, S, Powell, K, Ruslim, L, Ren, Z, Bard, F, Yednock, T.A, Griswold-Prenne, I. | Deposit date: | 2011-05-03 | Release date: | 2013-05-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Design and synthesis of brain penetrant selective JNK inhibitors with improved pharmacokinetic properties for the prevention of neurodegeneration. Bioorg.Med.Chem.Lett., 21, 2011
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7E1V
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![BU of 7e1v by Molmil](/molmil-images/mine/7e1v) | Cryo-EM structure of apo hybrid respiratory supercomplex consisting of Mycobacterium tuberculosis complexIII and Mycobacterium smegmatis complexIV | Descriptor: | (2R)-2-(hexadecanoyloxy)-3-{[(S)-hydroxy{[(1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl (9S)-9-methyloctadecanoate, (2R)-3-(((2-aminoethoxy)(hydroxy)phosphoryl)oxy)-2-(palmitoyloxy)propyl (E)-octadec-9-enoate, CARDIOLIPIN, ... | Authors: | Zhou, S, Wang, W, Gao, Y, Gong, H, Rao, Z. | Deposit date: | 2021-02-03 | Release date: | 2021-10-13 | Last modified: | 2022-07-27 | Method: | ELECTRON MICROSCOPY (2.68 Å) | Cite: | Structure of Mycobacterium tuberculosis cytochrome bcc in complex with Q203 and TB47, two anti-TB drug candidates. Elife, 10, 2021
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2Z8S
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![BU of 2z8s by Molmil](/molmil-images/mine/2z8s) | Crystal structure of rhamnogalacturonan lyase YesW complexed with digalacturonic acid | Descriptor: | CALCIUM ION, YesW protein, alpha-D-galactopyranuronic acid-(1-4)-alpha-D-galactopyranuronic acid | Authors: | Ochiai, A, Itoh, T, Maruyama, Y, Kawamata, A, Mikami, B, Hashimoto, W, Murata, K. | Deposit date: | 2007-09-10 | Release date: | 2007-10-16 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | A Novel Structural Fold in Polysaccharide Lyases: BACILLUS SUBTILIS FAMILY 11 RHAMNOGALACTURONAN LYASE YesW WITH AN EIGHT-BLADED -PROPELLER J.Biol.Chem., 282, 2007
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7VQC
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![BU of 7vqc by Molmil](/molmil-images/mine/7vqc) | Structure of MA1831 from Methanosarcina acetivorans in complex with pyrophosphate | Descriptor: | Di-trans-poly-cis-decaprenylcistransferase, PYROPHOSPHATE 2-, SULFATE ION | Authors: | Zhang, L.L, Chen, C.C, Liu, W.D, Huang, J.W, Zhang, X.W, Liu, B.B, Guo, R.T. | Deposit date: | 2021-10-19 | Release date: | 2022-08-31 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Structural insights to a bi-functional isoprenyl diphosphate synthase that can catalyze head-to-tail and head-to-middle condensation. Int.J.Biol.Macromol., 214, 2022
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7E1X
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![BU of 7e1x by Molmil](/molmil-images/mine/7e1x) | Cryo-EM structure of hybrid respiratory supercomplex consisting of Mycobacterium tuberculosis complexIII and Mycobacterium smegmatis complexIV in presence of TB47 | Descriptor: | (2R)-2-(hexadecanoyloxy)-3-{[(S)-hydroxy{[(1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl (9S)-9-methyloctadecanoate, (2R)-3-(((2-aminoethoxy)(hydroxy)phosphoryl)oxy)-2-(palmitoyloxy)propyl (E)-octadec-9-enoate, 5-methoxy-2-methyl-~{N}-[[4-[4-[4-(trifluoromethyloxy)phenyl]piperidin-1-yl]phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide, ... | Authors: | Zhou, S, Wang, W, Gao, Y, Gong, H, Rao, Z. | Deposit date: | 2021-02-03 | Release date: | 2021-10-27 | Last modified: | 2022-07-27 | Method: | ELECTRON MICROSCOPY (2.93 Å) | Cite: | Structure of Mycobacterium tuberculosis cytochrome bcc in complex with Q203 and TB47, two anti-TB drug candidates. Elife, 10, 2021
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7E1W
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![BU of 7e1w by Molmil](/molmil-images/mine/7e1w) | Cryo-EM structure of hybrid respiratory supercomplex consisting of Mycobacterium tuberculosis complexIII and Mycobacterium smegmatis complexIV in the presence of Q203 | Descriptor: | (2R)-2-(hexadecanoyloxy)-3-{[(S)-hydroxy{[(1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl (9S)-9-methyloctadecanoate, (2R)-3-(((2-aminoethoxy)(hydroxy)phosphoryl)oxy)-2-(palmitoyloxy)propyl (E)-octadec-9-enoate, 6-chloranyl-2-ethyl-N-[[4-[4-[4-(trifluoromethyloxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide, ... | Authors: | Zhou, S, Wang, W, Gao, Y, Gong, H, Rao, Z. | Deposit date: | 2021-02-03 | Release date: | 2021-10-27 | Last modified: | 2022-07-27 | Method: | ELECTRON MICROSCOPY (2.67 Å) | Cite: | Structure of Mycobacterium tuberculosis cytochrome bcc in complex with Q203 and TB47, two anti-TB drug candidates. Elife, 10, 2021
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7VQB
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![BU of 7vqb by Molmil](/molmil-images/mine/7vqb) | Structure of MA1831 from Methanosarcina acetivorans in complex with farnesyl pyrophosphate and dimethylallyl diphosphate | Descriptor: | DIMETHYLALLYL DIPHOSPHATE, Di-trans-poly-cis-decaprenylcistransferase, FARNESYL DIPHOSPHATE, ... | Authors: | Zhang, L.L, Chen, C.C, Liu, W.D, Huang, J.W, Zhang, X.W, Liu, B.B, Guo, R.T. | Deposit date: | 2021-10-19 | Release date: | 2022-08-31 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Structural insights to a bi-functional isoprenyl diphosphate synthase that can catalyze head-to-tail and head-to-middle condensation. Int.J.Biol.Macromol., 214, 2022
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5IE2
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![BU of 5ie2 by Molmil](/molmil-images/mine/5ie2) | Crystal structure of a plant enzyme | Descriptor: | ACETIC ACID, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Fan, M.R, Li, M, Chang, W.R. | Deposit date: | 2016-02-24 | Release date: | 2016-12-07 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Crystal Structures of Arabidopsis thaliana Oxalyl-CoA Synthetase Essential for Oxalate Degradation Mol Plant, 9, 2016
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7VQA
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![BU of 7vqa by Molmil](/molmil-images/mine/7vqa) | Structure of MA1831 from Methanosarcina acetivorans in complex with dimethylallyl diphosphate. | Descriptor: | DIMETHYLALLYL DIPHOSPHATE, Di-trans-poly-cis-decaprenylcistransferase, MAGNESIUM ION, ... | Authors: | Zhang, L.L, Chen, C.C, Liu, W.D, Huang, J.W, Zhang, X.W, Liu, B.B, Guo, R.T. | Deposit date: | 2021-10-19 | Release date: | 2022-08-31 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Structural insights to a bi-functional isoprenyl diphosphate synthase that can catalyze head-to-tail and head-to-middle condensation. Int.J.Biol.Macromol., 214, 2022
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4Q13
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![BU of 4q13 by Molmil](/molmil-images/mine/4q13) | |
6U1Y
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![BU of 6u1y by Molmil](/molmil-images/mine/6u1y) | bcs1 AAA domain | Descriptor: | MAGNESIUM ION, Mitochondrial chaperone BCS1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | Authors: | Tang, W.K, Xia, D. | Deposit date: | 2019-08-17 | Release date: | 2020-02-05 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Structures of AAA protein translocase Bcs1 suggest translocation mechanism of a folded protein. Nat.Struct.Mol.Biol., 27, 2020
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5I7V
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![BU of 5i7v by Molmil](/molmil-images/mine/5i7v) | Crystal structure of B. pseudomallei FabI in complex with NAD and PT02 | Descriptor: | 2-phenoxy-5-propyl-phenol, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Hirschbeck, M.W, Eltschkner, S, Tonge, P.J, Kisker, C. | Deposit date: | 2016-02-18 | Release date: | 2017-02-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Rationalizing the Binding Kinetics for the Inhibition of the Burkholderia pseudomallei FabI1 Enoyl-ACP Reductase. Biochemistry, 56, 2017
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3NX2
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![BU of 3nx2 by Molmil](/molmil-images/mine/3nx2) | Enterobacter sp. Px6-4 Ferulic Acid Decarboxylase in complex with substrate analogues | Descriptor: | 3-(4-HYDROXY-3-METHOXYPHENYL)-2-PROPENOIC ACID, Ferulic acid decarboxylase | Authors: | Gu, W, Yang, J.K, Lou, Z.Y, Meng, Z.H, Zhang, K.-Q. | Deposit date: | 2010-07-12 | Release date: | 2011-02-16 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Structural Basis of Enzymatic Activity for the Ferulic Acid Decarboxylase (FADase) from Enterobacter sp. Px6-4 Plos One, 6, 2011
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7VQ9
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![BU of 7vq9 by Molmil](/molmil-images/mine/7vq9) | Structure of MA1831 from Methanosarcina acetivorans in complex with farnesyl thiopyrophosphate and isopentyl S-thiolodiphosphate | Descriptor: | 3-methylbut-3-enylsulfanyl(phosphonooxy)phosphinic acid, Di-trans-poly-cis-decaprenylcistransferase, MAGNESIUM ION, ... | Authors: | Zhang, L.L, Chen, C.C, Liu, W.D, Huang, J.W, Zhang, X.W, Liu, B.B, Guo, R.T. | Deposit date: | 2021-10-19 | Release date: | 2022-08-31 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Structural insights to a bi-functional isoprenyl diphosphate synthase that can catalyze head-to-tail and head-to-middle condensation. Int.J.Biol.Macromol., 214, 2022
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4Q3R
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![BU of 4q3r by Molmil](/molmil-images/mine/4q3r) | Crystal structure of Schistosoma mansoni arginase in complex with inhibitor ABHDP | Descriptor: | (R)-2-amino-6-borono-2-(1-(3,4-dichlorobenzyl)piperidin-4-yl)hexanoic acid, Arginase, CESIUM ION, ... | Authors: | Hai, Y, Edwards, J.E, Van Zandt, M.C, Hoffmann, K.F, Christianson, D.W. | Deposit date: | 2014-04-12 | Release date: | 2014-07-16 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.169 Å) | Cite: | Crystal Structure of Schistosoma mansoni Arginase, a Potential Drug Target for the Treatment of Schistosomiasis. Biochemistry, 53, 2014
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8CNO
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![BU of 8cno by Molmil](/molmil-images/mine/8cno) | |
4Q3U
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![BU of 4q3u by Molmil](/molmil-images/mine/4q3u) | Crystal structure of Schistosoma mansoni arginase in complex with inhibitor nor-NOHA | Descriptor: | Arginase, GLYCEROL, MANGANESE (II) ION, ... | Authors: | Hai, Y, Edwards, J.E, Van Zandt, M.C, Hoffmann, K.F, Christianson, D.W. | Deposit date: | 2014-04-12 | Release date: | 2014-07-16 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal Structure of Schistosoma mansoni Arginase, a Potential Drug Target for the Treatment of Schistosomiasis. Biochemistry, 53, 2014
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5INT
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![BU of 5int by Molmil](/molmil-images/mine/5int) | Crystal structure of the C-terminal Domain of Coenzyme A biosynthesis bifunctional protein CoaBC | Descriptor: | Phosphopantothenate--cysteine ligase | Authors: | Nocek, B, Zhou, M, Grimshaw, S, Kim, Y, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2016-03-07 | Release date: | 2016-04-06 | Last modified: | 2018-09-19 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Crystal structure of the C-terminal Domain of Coenzyme A biosynthesis bifunctional protein CoaBC To Be Published
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5I0F
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![BU of 5i0f by Molmil](/molmil-images/mine/5i0f) | Cycloalternan-degrading enzyme from Trueperella pyogenes in complex with covalent intermediate | Descriptor: | CALCIUM ION, Glycoside hydrolase family 31, TRIETHYLENE GLYCOL, ... | Authors: | Light, S.H, Minasov, G, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2016-02-03 | Release date: | 2016-12-14 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Transferase Versus Hydrolase: The Role of Conformational Flexibility in Reaction Specificity. Structure, 25, 2017
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5IQ8
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![BU of 5iq8 by Molmil](/molmil-images/mine/5iq8) | |