3NKU
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![BU of 3nku by Molmil](/molmil-images/mine/3nku) | Crystal structure of the N-terminal domain of DrrA/SidM from Legionella pneumophila | Descriptor: | DI(HYDROXYETHYL)ETHER, DrrA, TRIETHYLENE GLYCOL | Authors: | Mueller, M.P, Peters, H, Blankenfeldt, W, Goody, R.S, Itzen, A. | Deposit date: | 2010-06-21 | Release date: | 2010-08-04 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The Legionella effector protein DrrA AMPylates the membrane traffic regulator Rab1b. Science, 329, 2010
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3N6O
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![BU of 3n6o by Molmil](/molmil-images/mine/3n6o) | Crystal structure of the GEF and P4M domain of DrrA/SidM from Legionella pneumophila | Descriptor: | SULFATE ION, guanine nucleotide exchange factor | Authors: | Schoebel, S, Blankenfeldt, W, Goody, R.S, Itzen, A. | Deposit date: | 2010-05-26 | Release date: | 2010-07-28 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | High-affinity binding of phosphatidylinositol 4-phosphate by Legionella pneumophila DrrA. Embo Rep., 11, 2010
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3MYM
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![BU of 3mym by Molmil](/molmil-images/mine/3mym) | Mutation of Methionine-86 in Dehaloperoxidase-hemoglobin: Effects of the Asp-His-Fe Triad in a 3/3 Globin | Descriptor: | CYANIDE ION, Dehaloperoxidase A, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | de Serrano, V.S, D'Antonio, E.L, Franzen, S, Bowden, E.F. | Deposit date: | 2010-05-10 | Release date: | 2011-04-20 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Functional consequences of the creation of an Asp-His-Fe triad in a 3/3 globin. Biochemistry, 50, 2011
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7OFU
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![BU of 7ofu by Molmil](/molmil-images/mine/7ofu) | Structure of SARS-CoV-2 Papain-like protease PLpro in complex with 3, 4-Dihydroxybenzoic acid, methyl ester | Descriptor: | CHLORIDE ION, GLYCEROL, PHOSPHATE ION, ... | Authors: | Srinivasan, V, Ewert, W, Werner, N, Falke, S, Guenther, S, Reinke, P, Sprenger, J, Brognaro, H, Ullah, N, Andaleeb, H, Perbandt, M, Alves Franca, B, Schwinzer, M, Wang, M, Wolf, M, Lieske, J, Koua, F, Ginn, H, Lane, T.J, Yefanov, O, Gelisio, L, Hakanpaeae, J, Saouane, S, Tolstikova, A, Groessler, M, Fleckenstein, H, Trost, F, Lorenzen, K, Schubert, R, Han, H, Schmidt, C, Brings, L, Galchenkova, M, Gevorkov, Y, Li, C, Perk, A, Awel, S, Wahab, A, Choudary, I, Turk, D, Hinrichs, W, Chapman, H.N, Meents, A, Betzel, C. | Deposit date: | 2021-05-05 | Release date: | 2021-05-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Antiviral activity of natural phenolic compounds in complex at an allosteric site of SARS-CoV-2 papain-like protease. Commun Biol, 5, 2022
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7OFS
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![BU of 7ofs by Molmil](/molmil-images/mine/7ofs) | Structure of SARS-CoV-2 Papain-like protease PLpro in complex with 4-(2-hydroxyethyl)phenol | Descriptor: | 4-(2-hydroxyethyl)phenol, CHLORIDE ION, GLYCEROL, ... | Authors: | Srinivasan, V, Werner, N, Falke, S, Guenther, S, Reinke, P, Ewert, W, Sprenger, J, Koua, F, Brognaro, H, Ullah, N, Andaleeb, H, Perbandt, M, Alves Franca, B, Schwinzer, M, Wang, M, Lieske, J, Ginn, H, Lane, T.J, Yefanov, O, Gelisio, L, Hakanpaeae, J, Saouane, S, Tolstikova, A, Groessler, M, Fleckenstein, H, Trost, F, Wolf, M, Lorenzen, K, Schubert, R, Han, H, Schmidt, C, Brings, L, Galchenkova, M, Gevorkov, Y, Li, C, Perk, A, Awel, S, Wahab, A, Choudary, I, Turk, D, Hinrichs, W, Chapman, H.N, Meents, A, Betzel, C. | Deposit date: | 2021-05-05 | Release date: | 2021-05-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Antiviral activity of natural phenolic compounds in complex at an allosteric site of SARS-CoV-2 papain-like protease. Commun Biol, 5, 2022
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7OFT
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![BU of 7oft by Molmil](/molmil-images/mine/7oft) | Structure of SARS-CoV-2 Papain-like protease PLpro in complex with p-hydroxybenzaldehyde | Descriptor: | CHLORIDE ION, P-HYDROXYBENZALDEHYDE, POTASSIUM ION, ... | Authors: | Srinivasan, V, Werner, N, Falke, S, Guenther, S, Reinke, P, Brognaro, H, Ullah, N, Andaleeb, H, Perbandt, M, Alves Franca, B, Schwinzer, M, Wang, M, Ewert, W, Sprenger, J, Lieske, J, Koua, F, Ginn, H, Lane, T.J, Wolf, M, Yefanov, O, Gelisio, L, Saouane, S, Tolstikova, A, Groessler, M, Fleckenstein, H, Trost, F, Lorenzen, K, Schubert, R, Han, H, Schmidt, C, Brings, L, Galchenkova, M, Gevorkov, Y, Li, C, Perk, A, Awel, S, Wahab, A, Choudary, I, Turk, D, Hinrichs, W, Chapman, H.N, Meents, A, Betzel, C. | Deposit date: | 2021-05-05 | Release date: | 2021-05-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Antiviral activity of natural phenolic compounds in complex at an allosteric site of SARS-CoV-2 papain-like protease. Commun Biol, 5, 2022
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3NFF
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![BU of 3nff by Molmil](/molmil-images/mine/3nff) | Crystal structure of extended Dimerization module of RNA polymerase I subcomplex A49/A34.5 | Descriptor: | RNA polymerase I subunit A34.5, RNA polymerase I subunit A49 | Authors: | Geiger, S.R, Lorenzen, K, Schreieck, A, Hanecker, P, Kostrewa, D, Heck, A.J.R, Cramer, P. | Deposit date: | 2010-06-10 | Release date: | 2010-09-08 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (3.24 Å) | Cite: | RNA Polymerase I Contains a TFIIF-Related DNA-Binding Subcomplex. Mol.Cell, 39, 2010
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3NKV
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![BU of 3nkv by Molmil](/molmil-images/mine/3nkv) | Crystal structure of Rab1b covalently modified with AMP at Y77 | Descriptor: | ADENOSINE MONOPHOSPHATE, BARIUM ION, MAGNESIUM ION, ... | Authors: | Mueller, M.P, Peters, H, Blankenfeldt, W, Goody, R.S, Itzen, A. | Deposit date: | 2010-06-21 | Release date: | 2010-08-04 | Last modified: | 2017-08-23 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The Legionella effector protein DrrA AMPylates the membrane traffic regulator Rab1b. Science, 329, 2010
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4IZ0
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![BU of 4iz0 by Molmil](/molmil-images/mine/4iz0) | Crystal structure of HCV NS5B polymerase in complex with 2,4,5-trichloro-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide | Descriptor: | 2,4,5-trichloro-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide, RNA-directed RNA polymerase | Authors: | Coulombe, R. | Deposit date: | 2013-01-29 | Release date: | 2013-04-17 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Discovery of a novel series of non-nucleoside thumb pocket 2 HCV NS5B polymerase inhibitors. Bioorg.Med.Chem.Lett., 23, 2013
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3L08
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![BU of 3l08 by Molmil](/molmil-images/mine/3l08) | Structure of Pi3K gamma with a potent inhibitor: GSK2126458 | Descriptor: | 2,4-difluoro-N-[2-methoxy-5-(4-pyridazin-4-ylquinolin-6-yl)pyridin-3-yl]benzenesulfonamide, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | Authors: | Elkins, P.A, Marrero, E.M. | Deposit date: | 2009-12-09 | Release date: | 2010-06-23 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Discovery of GSK2126458, a Highly Potent Inhibitor of PI3K and the Mammalian Target of Rapamycin. ACS Med Chem Lett, 1, 2010
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3NFH
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![BU of 3nfh by Molmil](/molmil-images/mine/3nfh) | Crystal structure of tandem winged helix domain of RNA polymerase I subunit A49 (P4) | Descriptor: | DNA-directed RNA polymerase I subunit RPA49 | Authors: | Geiger, S.R, Lorenzen, K, Schreieck, A, Hanecker, P, Kostrewa, D, Heck, A.J.R, Cramer, P. | Deposit date: | 2010-06-10 | Release date: | 2010-09-08 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | RNA Polymerase I Contains a TFIIF-Related DNA-Binding Subcomplex. Mol.Cell, 39, 2010
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3NFI
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![BU of 3nfi by Molmil](/molmil-images/mine/3nfi) | Crystal structure of tandem winged helix domain of RNA polymerase I subunit A49 | Descriptor: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, DNA-directed RNA polymerase I subunit RPA49 | Authors: | Geiger, S.R, Lorenzen, K, Schreieck, A, Hanecker, P, Kostrewa, D, Heck, A.J.R, Cramer, P. | Deposit date: | 2010-06-10 | Release date: | 2010-09-08 | Last modified: | 2015-03-25 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | RNA Polymerase I Contains a TFIIF-Related DNA-Binding Subcomplex. Mol.Cell, 39, 2010
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6SDS
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![BU of 6sds by Molmil](/molmil-images/mine/6sds) | HUMAN CARBONIC ANHYDRASE II IN COMPLEX WITH A SULFONAMIDE INHIBITOR | Descriptor: | Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ZINC ION, ... | Authors: | Alterio, V, De Simone, G, Esposito, D. | Deposit date: | 2019-07-29 | Release date: | 2020-06-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.26 Å) | Cite: | Phenyl(thio)phosphon(amid)ate Benzenesulfonamides as Potent and Selective Inhibitors of Human Carbonic Anhydrases II and VII Counteract Allodynia in a Mouse Model of Oxaliplatin-Induced Neuropathy. J.Med.Chem., 63, 2020
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1QYA
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![BU of 1qya by Molmil](/molmil-images/mine/1qya) | CRYSTAL STRUCTURE OF E. COLI PROTEIN YDDE | Descriptor: | HYPOTHETICAL PROTEIN yddE | Authors: | Grassick, A, Sulzenbacher, G, Roig-Zamboni, V, Campanacci, V, Cambillau, C, Bourne, Y. | Deposit date: | 2003-09-10 | Release date: | 2004-06-08 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of E. coli yddE protein reveals a striking homology with diaminopimelate epimerase Proteins, 55, 2004
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1QXB
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![BU of 1qxb by Molmil](/molmil-images/mine/1qxb) | NMR structure determination of the self complementary DNA Dodecamer CGCGAATT*CGCG in which a ribose is inserted between the 3'-OH of T8 and the 5'-phosphate group of C9 | Descriptor: | 5'-d(CpGpCpGpApApTpTpCpGpCpG)-3', beta-D-ribofuranose | Authors: | Nauwelaerts, K, Vastmans, K, Froeyen, M, Kempeneers, V, Rozenski, J, Rosemeyer, H, Van Aerschot, A, Busson, R, Efimtseva, E, Mikhailov, S, Lescrinier, E, Herdewijn, P. | Deposit date: | 2003-09-05 | Release date: | 2004-02-03 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Cleavage of DNA without loss of genetic information by incorporation of a disaccharide nucleoside. Nucleic Acids Res., 31, 2003
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1QY9
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![BU of 1qy9 by Molmil](/molmil-images/mine/1qy9) | Crystal structure of E. coli Se-MET protein YDDE | Descriptor: | GLYCEROL, HYDROXIDE ION, HYPOTHETICAL PROTEIN yddE | Authors: | Grassick, A, Sulzenbacher, G, Roig-Zamboni, V, Campanacci, V, Cambillau, C, Bourne, Y. | Deposit date: | 2003-09-10 | Release date: | 2004-06-08 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Crystal structure of E. coli yddE protein reveals a striking homology with diaminopimelate epimerase Proteins, 55, 2004
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6STG
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![BU of 6stg by Molmil](/molmil-images/mine/6stg) | Human Rab8a phosphorylated at Ser111 in complex with GPPNP | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | Authors: | Vieweg, S, Mulholland, K, Braeuning, B, Kachariya, N, Lai, Y, Toth, R, Sattler, M, Groll, M, Itzen, A, Muqit, M.M.K. | Deposit date: | 2019-09-10 | Release date: | 2020-04-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | PINK1-dependent phosphorylation of Serine111 within the SF3 motif of Rab GTPases impairs effector interactions and LRRK2-mediated phosphorylation at Threonine72. Biochem.J., 477, 2020
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1SRJ
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![BU of 1srj by Molmil](/molmil-images/mine/1srj) | |
1SJQ
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![BU of 1sjq by Molmil](/molmil-images/mine/1sjq) | NMR Structure of RRM1 from Human Polypyrimidine Tract Binding Protein Isoform 1 (PTB1) | Descriptor: | Polypyrimidine tract-binding protein 1 | Authors: | Simpson, P.J, Monie, T.P, Szendroi, A, Davydova, N, Tyzack, J.K, Conte, M.R, Read, C.M, Cary, P.D, Svergun, D.I, Konarev, P.V, Petoukhov, M.V, Curry, S, Matthews, S.J. | Deposit date: | 2004-03-04 | Release date: | 2004-09-14 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Structure and RNA Interactions of the N-Terminal RRM Domains of PTB Structure, 12, 2004
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7PXZ
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![BU of 7pxz by Molmil](/molmil-images/mine/7pxz) | Reduced form of SARS-CoV-2 Main Protease determined by XFEL radiation | Descriptor: | 3C-like proteinase nsp5, CHLORIDE ION | Authors: | Schubert, R, Reinke, P, Galchenkova, M, Oberthuer, D, Murillo, G.E.P, Kim, C, Bean, R, Turk, D, Hinrichs, W, Middendorf, P, Round, A, Schmidt, C, Mills, G, Kirkwood, H, Han, H, Koliyadu, J, Bielecki, J, Gelisio, L, Sikorski, M, Kloos, M, Vakilii, M, Yefanov, O.N, Vagovic, P, de-Wijn, R, Letrun, R, Guenther, S, White, T.A, Sato, T, Srinivasan, V, Kim, Y, Chretien, A, Han, S, Brognaro, H, Maracke, J, Knoska, J, Seychell, B.C, Brings, L, Norton-Baker, B, Geng, T, Dore, A.S, Uetrecht, C, Redecke, L, Beck, T, Lorenzen, K, Betzel, C, Mancuso, A.P, Bajt, S, Chapman, H.N, Meents, A, Lane, T.J. | Deposit date: | 2021-10-08 | Release date: | 2023-01-18 | Last modified: | 2024-07-31 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | SARS-CoV-2 M pro responds to oxidation by forming disulfide and NOS/SONOS bonds. Nat Commun, 15, 2024
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7PZQ
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![BU of 7pzq by Molmil](/molmil-images/mine/7pzq) | Oxidized form of SARS-CoV-2 Main Protease determined by XFEL radiation | Descriptor: | 3C-like proteinase nsp5, DIMETHYL SULFOXIDE | Authors: | Schubert, R, Reinke, P, Galchenkova, M, Oberthuer, D, Murillo, G.E.P, Kim, C, Bean, R, Turk, D, Hinrichs, W, Middendorf, P, Round, A, Schmidt, C, Mills, G, Kirkwood, H, Han, H, Koliyadu, J, Bielecki, J, Gelisio, L, Sikorski, M, Kloos, M, Vakilii, M, Yefanov, O.N, Vagovic, P, de-Wijn, R, Letrun, R, Guenther, S, White, T.A, Sato, T, Srinivasan, V, Kim, Y, Chretien, A, Han, S, Brognaro, H, Maracke, J, Knoska, J, Seychell, B.C, Brings, L, Norton-Baker, B, Geng, T, Dore, A.S, Uetrecht, C, Redecke, L, Beck, T, Lorenzen, K, Betzel, C, Mancuso, A.P, Bajt, S, Chapman, H.N, Meents, A, Lane, T.J. | Deposit date: | 2021-10-13 | Release date: | 2023-01-25 | Last modified: | 2024-07-31 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | SARS-CoV-2 M pro responds to oxidation by forming disulfide and NOS/SONOS bonds. Nat Commun, 15, 2024
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1J7N
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![BU of 1j7n by Molmil](/molmil-images/mine/1j7n) | Anthrax Toxin Lethal factor | Descriptor: | Lethal Factor precursor, SULFATE ION, ZINC ION | Authors: | Pannifer, A.D, Wong, T.Y, Schwarzenbacher, R, Renatus, M, Petosa, C, Collier, R.J, Bienkowska, J, Lacy, D.B, Park, S, Leppla, S.H, Hanna, P, Liddington, R.C. | Deposit date: | 2001-05-17 | Release date: | 2001-11-07 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of the anthrax lethal factor. Nature, 414, 2001
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1ILC
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![BU of 1ilc by Molmil](/molmil-images/mine/1ilc) | DNA Bending by an Adenine-Thymine Tract and Its Role in Gene Regulation. | Descriptor: | 5'-D(*AP*CP*CP*GP*AP*AP*TP*TP*CP*GP*GP*T)-3' | Authors: | Hizver, J, Rozenberg, H, Frolow, F, Rabinovich, D, Shakked, Z. | Deposit date: | 2001-05-08 | Release date: | 2002-05-08 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | DNA bending by an adenine--thymine tract and its role in gene regulation. Proc.Natl.Acad.Sci.USA, 98, 2001
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1SRH
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![BU of 1srh by Molmil](/molmil-images/mine/1srh) | |
5H5E
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![BU of 5h5e by Molmil](/molmil-images/mine/5h5e) | |