6MCY
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![BU of 6mcy by Molmil](/molmil-images/mine/6mcy) | Crystal structure of mouse Bak | Descriptor: | 1,2-ETHANEDIOL, Bcl-2 homologous antagonist/killer, FORMIC ACID | Authors: | Brouwer, J.M, Czabotar, P.E, Colman, P.M. | Deposit date: | 2018-09-03 | Release date: | 2019-09-11 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.748 Å) | Cite: | A small molecule interacts with VDAC2 to block mouse BAK-driven apoptosis. Nat.Chem.Biol., 15, 2019
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6ELA
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![BU of 6ela by Molmil](/molmil-images/mine/6ela) | Crystal structure of MMP12 in complex with inhibitor BE4. | Descriptor: | (2~{S})-2-[2-[4-(4-methoxyphenyl)phenyl]sulfanylphenyl]pentanedioic acid, 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, ... | Authors: | Ciccone, L, Tepshi, L, Nuti, E, Rossello, A, Stura, E.A. | Deposit date: | 2017-09-28 | Release date: | 2018-05-16 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.485 Å) | Cite: | Development of Thioaryl-Based Matrix Metalloproteinase-12 Inhibitors with Alternative Zinc-Binding Groups: Synthesis, Potentiometric, NMR, and Crystallographic Studies. J. Med. Chem., 61, 2018
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8SMG
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![BU of 8smg by Molmil](/molmil-images/mine/8smg) | Structure of SPO1 phage Tad2 in complex with 1''-2' gcADPR | Descriptor: | (1S,3R,4R,6R,9S,11R,14R,15S,16R,18R)-4-(6-amino-9H-purin-9-yl)-9,11,15,16,18-pentahydroxy-2,5,8,10,12,17-hexaoxa-9lambda~5~,11lambda~5~-diphosphatricyclo[12.2.1.1~3,6~]octadecane-9,11-dione, Gp34.65 | Authors: | Lu, A, Yirmiya, E, Leavitt, A, Avraham, C, Osterman, I, Garb, J, Antine, S.P, Mooney, S.E, Hobbs, S.J, Amitai, G, Sorek, R, Kranzusch, P.J. | Deposit date: | 2023-04-26 | Release date: | 2023-11-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Phages overcome bacterial immunity via diverse anti-defence proteins. Nature, 625, 2024
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8SMD
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![BU of 8smd by Molmil](/molmil-images/mine/8smd) | Structure of Clostridium botulinum prophage Tad1 in complex with 1''-3' gcADPR | Descriptor: | (2R,3R,3aS,5S,6R,7S,8R,11R,13S,15aR)-2-(6-amino-9H-purin-9-yl)-3,6,7,11,13-pentahydroxyoctahydro-2H,5H,11H,13H-5,8-epoxy-11lambda~5~,13lambda~5~-furo[2,3-g][1,3,5,9,2,4]tetraoxadiphosphacyclotetradecine-11,13-dione, ABC transporter ATPase | Authors: | Lu, A, Yirmiya, E, Leavitt, A, Avraham, C, Osterman, I, Garb, J, Antine, S.P, Mooney, S.E, Hobbs, S.J, Amitai, G, Sorek, R, Kranzusch, P.J. | Deposit date: | 2023-04-26 | Release date: | 2023-11-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Phages overcome bacterial immunity via diverse anti-defence proteins. Nature, 625, 2024
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8E00
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![BU of 8e00 by Molmil](/molmil-images/mine/8e00) | Symmetry expansion of yeast cytoplasmic dynein-1 bound to Lis1 in the chi conformation. | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Dynein heavy chain, ... | Authors: | Reimer, J.M, Lahiri, I, Leschziner, A.E. | Deposit date: | 2022-08-08 | Release date: | 2023-08-30 | Last modified: | 2023-09-27 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Lis1 relieves cytoplasmic dynein-1 autoinhibition by acting as a molecular wedge. Nat.Struct.Mol.Biol., 30, 2023
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7S6H
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![BU of 7s6h by Molmil](/molmil-images/mine/7s6h) | Human PARP1 deltaV687-E688 bound to NAD+ analog EB-47 and to a DNA double strand break. | Descriptor: | 1,2-ETHANEDIOL, 2-[4-[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]carbonylpiperazin-1-yl]-N-(1-oxidanylidene-2,3-dihydroisoindol-4-yl)ethanamide, DNA (5'-D(*CP*GP*AP*CP*G)-3'), ... | Authors: | Rouleau-Turcotte, E, Pascal, J.M. | Deposit date: | 2021-09-14 | Release date: | 2022-06-29 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Captured snapshots of PARP1 in the active state reveal the mechanics of PARP1 allostery. Mol.Cell, 82, 2022
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6UAZ
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![BU of 6uaz by Molmil](/molmil-images/mine/6uaz) | Crystal structure of a GH128 (subgroup III) curdlan-specific exo-beta-1,3-glucanase from Blastomyces gilchristii (BgGH128_III) in complex with glucose | Descriptor: | Glyco_hydro_cc domain-containing protein, beta-D-glucopyranose | Authors: | Costa, P.A.C.R, Santos, C.R, Domingues, M.N, Lima, E.A, Mandelli, F, Murakami, M.T. | Deposit date: | 2019-09-11 | Release date: | 2020-05-20 | Last modified: | 2020-08-05 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural insights into beta-1,3-glucan cleavage by a glycoside hydrolase family. Nat.Chem.Biol., 16, 2020
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6UB5
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![BU of 6ub5 by Molmil](/molmil-images/mine/6ub5) | Crystal structure (P21 form) of a GH128 (subgroup IV) endo-beta-1,3-glucanase from Lentinula edodes (LeGH128_IV) in complex with laminaritriose | Descriptor: | CHLORIDE ION, Endo-beta-1,3-glucanase, beta-D-glucopyranose-(1-3)-beta-D-glucopyranose, ... | Authors: | Santos, C.R, Lima, E.A, Mandelli, F, Murakami, M.T. | Deposit date: | 2019-09-11 | Release date: | 2020-05-20 | Last modified: | 2020-08-05 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Structural insights into beta-1,3-glucan cleavage by a glycoside hydrolase family. Nat.Chem.Biol., 16, 2020
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7AF2
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![BU of 7af2 by Molmil](/molmil-images/mine/7af2) | Salmonella typhimurium neuraminidase mutant (D62G) | Descriptor: | GLYCEROL, PHOSPHATE ION, Sialidase | Authors: | Salinger, M.T, Kuhn, P, Laver, W.G, Pape, T, Schneider, T.R, Sheldrick, G.M, Vimr, E.R, Garman, E.F. | Deposit date: | 2020-09-19 | Release date: | 2020-09-30 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (0.792 Å) | Cite: | Salmonella typhimurium neuraminidase mutant (D62G) To Be Published
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6XNN
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![BU of 6xnn by Molmil](/molmil-images/mine/6xnn) | Crystal Structure of Mouse STING CTD complex with SR-717. | Descriptor: | 4,5-difluoro-2-{[6-(1H-imidazol-1-yl)pyridazine-3-carbonyl]amino}benzoic acid, Stimulator of interferon genes protein | Authors: | Chin, E.N, Yu, C, Wolan, D.W, Petrassi, H.M, Lairson, L.L. | Deposit date: | 2020-07-03 | Release date: | 2020-08-26 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Antitumor activity of a systemic STING-activating non-nucleotide cGAMP mimetic. Science, 369, 2020
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7PP7
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![BU of 7pp7 by Molmil](/molmil-images/mine/7pp7) | Thunberia alata 16:0-ACP desaturase | Descriptor: | Acyl-[acyl-carrier-protein] 6-desaturase, FE (III) ION | Authors: | Guy, J.E, Whittle, E, Cai, Y, Chai, J, Lindqvist, Y, Shanklin, J. | Deposit date: | 2021-09-13 | Release date: | 2021-12-22 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Regioselectivity mechanism of the Thunbergia alata Delta 6-16:0-acyl carrier protein desaturase. Plant Physiol., 188, 2022
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7ARE
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![BU of 7are by Molmil](/molmil-images/mine/7are) | DNA origami pointer object v2 | Descriptor: | SCAFFOLD STRAND, STAPLE STRAND | Authors: | Thomas, M, Feigl, E, Kohler, F, Kube, M, Nagel-Yuksel, B, Willner, E.M, Funke, J.J, Gerling, T, Stommer, P, Honemann, M.N, Martin, T.G, Scheres, S.H.W, Dietz, H. | Deposit date: | 2020-10-24 | Release date: | 2020-11-18 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (7.4 Å) | Cite: | Revealing the structures of megadalton-scale DNA complexes with nucleotide resolution. Nat Commun, 11, 2020
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8C0B
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![BU of 8c0b by Molmil](/molmil-images/mine/8c0b) | CryoEM structure of Aspergillus nidulans UTP-glucose-1-phosphate uridylyltransferase | Descriptor: | UTP--glucose-1-phosphate uridylyltransferase | Authors: | Han, X, D Angelo, C, Otamendi, A, Cifuente, J.O, de Astigarraga, E, Ochoa-Lizarralde, B, Grininger, M, Routier, F.H, Guerin, M.E, Fuehring, J, Etxebeste, O, Connell, S.R. | Deposit date: | 2022-12-16 | Release date: | 2023-06-28 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (3.98 Å) | Cite: | CryoEM analysis of the essential native UDP-glucose pyrophosphorylase from Aspergillus nidulans reveals key conformations for activity regulation and function. Mbio, 14, 2023
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7NL0
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![BU of 7nl0 by Molmil](/molmil-images/mine/7nl0) | Cryo-EM structure of the Lin28B nucleosome core particle | Descriptor: | DNA (131-MER), Histone H2A type 1-B/E, Histone H2B type 1-J, ... | Authors: | Roberts, G.A, Ozkan, B, Gachulincova, I, O Dwyer, M.R, Hall-Ponsele, E, Saxena, M, Robinson, P.J, Soufi, A. | Deposit date: | 2021-02-19 | Release date: | 2021-08-11 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Dissecting OCT4 defines the role of nucleosome binding in pluripotency. Nat.Cell Biol., 23, 2021
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4XRY
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![BU of 4xry by Molmil](/molmil-images/mine/4xry) | Human Cytochrome P450 2D6 BACE1 Inhibitor 5 Complex | Descriptor: | (4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(1-methyl-1H-pyrazol-4-yl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine, Cytochrome P450 2D6, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Johnson, E.F, Fan, Y. | Deposit date: | 2015-01-21 | Release date: | 2015-05-20 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Utilizing Structures of CYP2D6 and BACE1 Complexes To Reduce Risk of Drug-Drug Interactions with a Novel Series of Centrally Efficacious BACE1 Inhibitors. J.Med.Chem., 58, 2015
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8CGT
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![BU of 8cgt by Molmil](/molmil-images/mine/8cgt) | STRUCTURE OF CYCLODEXTRIN GLYCOSYLTRANSFERASE COMPLEXED WITH A THIO-MALTOHEXAOSE | Descriptor: | CALCIUM ION, PROTEIN (CYCLODEXTRIN-GLYCOSYLTRANSFERASE), alpha-D-glucopyranose-(1-4)-4-thio-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-4-thio-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-4-thio-alpha-D-glucopyranose | Authors: | Schmidt, A.K, Schulz, G.E. | Deposit date: | 1998-09-27 | Release date: | 1998-10-14 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Substrate binding to a cyclodextrin glycosyltransferase and mutations increasing the gamma-cyclodextrin production. Eur.J.Biochem., 255, 1998
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8EFS
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![BU of 8efs by Molmil](/molmil-images/mine/8efs) | CryoEM of the soluble OPA1 tetramer from the apo helical assembly on a lipid membrane | Descriptor: | Dynamin-like 120 kDa protein, form S1 | Authors: | Nyenhuis, S.B, Wu, X, Stanton, A.E, Strub, M.P, Yim, Y.I, Canagarajah, B, Hinshaw, J.E. | Deposit date: | 2022-09-09 | Release date: | 2023-06-28 | Last modified: | 2023-09-13 | Method: | ELECTRON MICROSCOPY (9.68 Å) | Cite: | OPA1 helical structures give perspective to mitochondrial dysfunction. Nature, 620, 2023
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7B83
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![BU of 7b83 by Molmil](/molmil-images/mine/7b83) | Structure of SARS-CoV-2 Main Protease bound to pyrithione zinc | Descriptor: | 3C-like proteinase, 9-oxa-7-thia-1-azonia-8$l^{2}-zincabicyclo[4.3.0]nona-1,3,5-triene, CHLORIDE ION, ... | Authors: | Guenther, S, Reinke, P, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashour, A, White, T.A, Knoska, J, Pena Esperanza, G, Koua, F, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Paulraj, L.X, Ullah, N, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Doyle, J.J, Giseler, H, Melo, D, Dunkel, I, Lane, T.J, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A. | Deposit date: | 2020-12-12 | Release date: | 2021-01-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease. Science, 372, 2021
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7N86
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![BU of 7n86 by Molmil](/molmil-images/mine/7n86) | Crystal Structure of Human Protocadherin-24 EC1-2 Form II | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, CHLORIDE ION, ... | Authors: | Modak, D, Gray, M.E, Sotomayor, M. | Deposit date: | 2021-06-13 | Release date: | 2021-09-01 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.175 Å) | Cite: | Heterophilic and homophilic cadherin interactions in intestinal intermicrovillar links are species dependent. Plos Biol., 19, 2021
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7NCX
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![BU of 7ncx by Molmil](/molmil-images/mine/7ncx) | Crystal structure of GH30 (double mutant EE) from Thermothelomyces thermophila. | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ... | Authors: | Dimarogona, M, Nikolaivits, E, Topakas, E, Weiss, M, Feiler, C.G. | Deposit date: | 2021-01-29 | Release date: | 2021-09-08 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | Unique features of the bifunctional GH30 from Thermothelomyces thermophila revealed by structural and mutational studies Carbohydrate Polymers, 273, 2021
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6F3L
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![BU of 6f3l by Molmil](/molmil-images/mine/6f3l) | The crystal structure of Glycogen Phosphorylase in complex with 10b | Descriptor: | 6-[5-[(2~{S},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-1~{H}-1,2,4-triazol-3-yl]naphthalene-2-carboxylic acid, Glycogen phosphorylase, muscle form, ... | Authors: | Kyriakis, E, Barkas, T.A, Stravodimos, G.A, Skamnaki, V.T, Leonidas, D.D. | Deposit date: | 2017-11-28 | Release date: | 2018-02-28 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A multidisciplinary study of 3-( beta-d-glucopyranosyl)-5-substituted-1,2,4-triazole derivatives as glycogen phosphorylase inhibitors: Computation, synthesis, crystallography and kinetics reveal new potent inhibitors. Eur J Med Chem, 147, 2018
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8CAG
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![BU of 8cag by Molmil](/molmil-images/mine/8cag) | Hypoxanthine-guanine phosphoribosyltransferase from E. coli | Descriptor: | Hypoxanthine phosphoribosyltransferase, MAGNESIUM ION | Authors: | Timofeev, V.I, Shevtsov, M.B, Abramchik, Y.A, Kostromina, M.A, Zayats, E.A, Kuranova, I.P, Esipov, R.S. | Deposit date: | 2023-01-24 | Release date: | 2023-02-01 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Hypoxanthine-guanine phosphoribosyltransferase from E. coli To Be Published
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7AS5
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![BU of 7as5 by Molmil](/molmil-images/mine/7as5) | 126 helix bundle DNA nanostructure | Descriptor: | SCAFFOLD STRAND, STAPLE STRAND | Authors: | Kube, M, Kohler, F, Feigl, E, Nagel-Yuksel, B, Willner, E.M, Funke, J.J, Gerling, T, Stommer, P, Honemann, M.N, Martin, T.G, Scheres, S.H.W, Dietz, H. | Deposit date: | 2020-10-27 | Release date: | 2020-11-18 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (9.8 Å) | Cite: | Revealing the structures of megadalton-scale DNA complexes with nucleotide resolution. Nat Commun, 11, 2020
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7Q28
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![BU of 7q28 by Molmil](/molmil-images/mine/7q28) | |
7Q27
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![BU of 7q27 by Molmil](/molmil-images/mine/7q27) | |