5OA6
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![BU of 5oa6 by Molmil](/molmil-images/mine/5oa6) | Crystal structure of ScGas2 in complex with compound 12 | Descriptor: | (2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{R},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{R},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-3,5-bis(oxidanyl)-6-[4-(3-quinolin-1-ium-1-ylpropyl)-1,2,3-triazol-1-yl]oxan-4-yl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-oxane-3,4,5-triol, 1,2-ETHANEDIOL, 1,3-beta-glucanosyltransferase GAS2, ... | Authors: | Delso, I, Valero-Gonzalez, J, Gomollon-Bel, F, Castro-Lopez, J, Fang, W, Navratilova, I, Van Aalten, D, Tejero, T, Merino, P, Hurtado-Guerrero, R. | Deposit date: | 2017-06-21 | Release date: | 2018-05-02 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Inhibitors against Fungal Cell Wall Remodeling Enzymes. ChemMedChem, 13, 2018
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1H10
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![BU of 1h10 by Molmil](/molmil-images/mine/1h10) | HIGH RESOLUTION STRUCTURE OF THE PLECKSTRIN HOMOLOGY DOMAIN OF PROTEIN KINASE B/AKT BOUND TO INS(1,3,4,5)-TETRAKISPHOPHATE | Descriptor: | INOSITOL-(1,3,4,5)-TETRAKISPHOSPHATE, RAC-ALPHA SERINE/THREONINE KINASE | Authors: | Thomas, C.C, Deak, M, Alessi, D.R, Van Aalten, D.M.F. | Deposit date: | 2002-07-01 | Release date: | 2003-06-27 | Last modified: | 2019-05-22 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | High Resolution Structure of the Pleckstrin Homology Domain of Protein Kinase B/Akt Bound to Phosphatidylinositol (3,4,5)-Trisphosphate Curr.Biol., 12, 2002
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2A3E
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![BU of 2a3e by Molmil](/molmil-images/mine/2a3e) | Crystal structure of Aspergillus fumigatus chitinase B1 in complex with allosamidin | Descriptor: | 2-acetamido-2-deoxy-beta-D-allopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-allopyranose, ALLOSAMIZOLINE, SULFATE ION, ... | Authors: | Rao, F.V, Andersen, O.A, Vora, K.A, DeMartino, J.A, van Aalten, D.M.F. | Deposit date: | 2005-06-24 | Release date: | 2005-09-27 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Methylxanthine drugs are chitinase inhibitors: investigation of inhibition and binding modes. Chem.Biol., 12, 2005
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2VKI
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![BU of 2vki by Molmil](/molmil-images/mine/2vki) | Structure of the PDK1 PH domain K465E mutant | Descriptor: | 3-PHOPSHOINOSITIDE DEPENDENT PROTEIN KINASE 1, GLYCEROL, SULFATE ION | Authors: | Komander, D, Bayascas, J.R, Deak, M, Alessi, D.R, van Aalten, D.M.F. | Deposit date: | 2007-12-19 | Release date: | 2008-05-13 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Mutation of the Pdk1 Ph Domain Inhibits Protein Kinase B/Akt, Leading to Small Size and Insulin Resistance. Mol.Cell.Biol., 28, 2008
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1UU8
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![BU of 1uu8 by Molmil](/molmil-images/mine/1uu8) | Structure of human PDK1 kinase domain in complex with BIM-1 | Descriptor: | 3-PHOSPHOINOSITIDE DEPENDENT PROTEIN KINASE-1, 3-{1-[3-(DIMETHYLAMINO)PROPYL]-1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE, GLYCEROL, ... | Authors: | Komander, D, Kular, G.S, Schuttelkopf, A.W, Deak, M, Prakash, K.R, Bain, J, Elliot, M, Garrido-Franco, M, Kozikowski, A.P, Alessi, D.R, Van Aalten, D.M.F. | Deposit date: | 2003-12-16 | Release date: | 2004-03-04 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Interactions of Ly333531 and Other Bisindolyl Maleimide Inhibitors with Pdk1 Structure, 12, 2004
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2A3A
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![BU of 2a3a by Molmil](/molmil-images/mine/2a3a) | Crystal structure of Aspergillus fumigatus chitinase B1 in complex with theophylline | Descriptor: | SULFATE ION, THEOPHYLLINE, chitinase | Authors: | Rao, F.V, Andersen, O.A, Vora, K.A, DeMartino, J.A, van Aalten, D.M.F. | Deposit date: | 2005-06-24 | Release date: | 2005-09-27 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Methylxanthine drugs are chitinase inhibitors: investigation of inhibition and binding modes. Chem.Biol., 12, 2005
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1UPQ
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![BU of 1upq by Molmil](/molmil-images/mine/1upq) | Crystal structure of the pleckstrin homology (PH) domain of PEPP1 | Descriptor: | PEPP1, SULFATE ION | Authors: | Milburn, C.C, Komander, D, Deak, M, Alessi, D.R, van Aalten, D.M.F. | Deposit date: | 2003-10-09 | Release date: | 2004-10-07 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Crystal Structure of the Pleckstrin Homology Domain of Pepp1 To be Published
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1UPK
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![BU of 1upk by Molmil](/molmil-images/mine/1upk) | Crystal structure of MO25 in complex with a C-terminal peptide of STRAD | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, MO25 PROTEIN, STE-20 RELATED ADAPTOR | Authors: | Milburn, C.C, Boudeau, J, Deak, M, Alessi, D.R, Van Aalten, D.M.F. | Deposit date: | 2003-10-07 | Release date: | 2004-01-22 | Last modified: | 2019-04-10 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Crystal Structure of Mo25 Alpha in Complex with the C-Terminus of the Pseudo Kinase Ste-20 Related Adaptor (Strad) Nat.Struct.Mol.Biol., 11, 2004
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1UU9
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![BU of 1uu9 by Molmil](/molmil-images/mine/1uu9) | Structure of human PDK1 kinase domain in complex with BIM-3 | Descriptor: | 3-PHOSPHOINOSITIDE DEPENDENT PROTEIN KINASE-1, 3-[1-(3-AMINOPROPYL)-1H-INDOL-3-YL]-4-(1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE, GLYCEROL, ... | Authors: | Komander, D, Kular, G.S, Schuttelkopf, A.W, Deak, M, Prakash, K.R, Bain, J, Elliot, M, Garrido-Franco, M, Kozikowski, A.P, Alessi, D.R, Van Aalten, D.M.F. | Deposit date: | 2003-12-16 | Release date: | 2004-03-04 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Interactions of Ly333531 and Other Bisindolyl Maleimide Inhibitors with Pdk1 Structure, 12, 2004
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1UU7
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![BU of 1uu7 by Molmil](/molmil-images/mine/1uu7) | Structure of human PDK1 kinase domain in complex with BIM-2 | Descriptor: | 3-(1H-INDOL-3-YL)-4-(1-{2-[(2S)-1-METHYLPYRROLIDINYL]ETHYL}-1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE, 3-PHOSPHOINOSITIDE DEPENDENT PROTEIN KINASE-1, GLYCEROL, ... | Authors: | Komander, D, Kular, G.S, Schuttelkopf, A.W, Deak, M, Prakash, K.R, Bain, J, Elliot, M, Garrido-Franco, M, Kozikowski, A.P, Alessi, D.R, Van Aalten, D.M.F. | Deposit date: | 2003-12-16 | Release date: | 2004-03-04 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Interactions of Ly333531 and Other Bisindolyl Maleimide Inhibitors with Pdk1 Structure, 12, 2004
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1UVR
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![BU of 1uvr by Molmil](/molmil-images/mine/1uvr) | Structure of human PDK1 kinase domain in complex with BIM-8 | Descriptor: | 3-PHOSPHOINOSITIDE DEPENDENT PROTEIN KINASE-1, 3-[1-(3-AMINOPROPYL)-1H-INDOL-3-YL]-4-(1-METHYL-1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE, GLYCEROL, ... | Authors: | Komander, D, Garrido-Franco, M, Kular, G.S, Schuttelkopf, A.W, Deak, M, Prakash, K.R, Bain, J, Elliot, M, Kozikowski, A.P, Alessi, D.R, Van Aalten, D.M.F. | Deposit date: | 2004-01-22 | Release date: | 2004-03-04 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | Interactions of Ly333531 and Other Bisindolyl Maleimide Inhibitors with Pdk1 Structure, 12, 2004
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1UU3
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![BU of 1uu3 by Molmil](/molmil-images/mine/1uu3) | Structure of human PDK1 kinase domain in complex with LY333531 | Descriptor: | (9R)-9-[(DIMETHYLAMINO)METHYL]-6,7,10,11-TETRAHYDRO-9H,18H-5,21:12,17-DIMETHENODIBENZO[E,K]PYRROLO[3,4-H][1,4,13]OXADIA ZACYCLOHEXADECINE-18,20-DIONE, 3-PHOSPHOINOSITIDE DEPENDENT PROTEIN KINASE-1, GLYCEROL, ... | Authors: | Komander, D, Kular, G.S, Schuttelkopf, A.W, Deak, M, Prakash, K.R, Bain, J, Elliot, M, Garrido-Franco, M, Kozikowski, A.P, Alessi, D.R, Van Aalten, D.M.F. | Deposit date: | 2003-12-15 | Release date: | 2004-03-04 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Interactions of Ly333531 and Other Bisindolyl Maleimide Inhibitors with Pdk1 Structure, 12, 2004
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1W1H
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![BU of 1w1h by Molmil](/molmil-images/mine/1w1h) | Crystal Structure of the PDK1 Pleckstrin Homology (PH) domain | Descriptor: | 3-PHOSPHOINOSITIDE DEPENDENT PROTEIN KINASE-1, GLYCEROL, SULFATE ION | Authors: | Komander, D, Deak, M, Alessi, D.R, Van Aalten, D.M.F. | Deposit date: | 2004-06-21 | Release date: | 2004-11-19 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Structural Insights Into the Regulation of Pdk1 by Phosphoinositides and Inositol Phosphates Embo J., 23, 2004
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2A3C
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![BU of 2a3c by Molmil](/molmil-images/mine/2a3c) | Crystal structure of Aspergillus fumigatus chitinase B1 in complex with pentoxifylline | Descriptor: | 3,7-DIMETHYL-1-(5-OXOHEXYL)-3,7-DIHYDRO-1H-PURINE-2,6-DIONE, SULFATE ION, chitinase | Authors: | Rao, F.V, Andersen, O.A, Vora, K.A, DeMartino, J.A, van Aalten, D.M.F. | Deposit date: | 2005-06-24 | Release date: | 2005-09-27 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Methylxanthine drugs are chitinase inhibitors: investigation of inhibition and binding modes. Chem.Biol., 12, 2005
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1UPR
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![BU of 1upr by Molmil](/molmil-images/mine/1upr) | Crystal structure of the PEPP1 pleckstrin homology domain in complex with Inositol 1,3,4,5-tetrakisphosphate | Descriptor: | INOSITOL-(1,3,4,5)-TETRAKISPHOSPHATE, PLECKSTRIN HOMOLOGY DOMAIN-CONTAINING FAMILY A MEMBER 4 | Authors: | Milburn, C.C, Komander, D, Deak, M, Alessi, D.R, Van Aalten, D.M.F. | Deposit date: | 2003-10-10 | Release date: | 2004-10-20 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Crystal Structure of the Pleckstrin Homology Domain of Pepp1 To be Published
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1UPL
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![BU of 1upl by Molmil](/molmil-images/mine/1upl) | Crystal structure of MO25 alpha | Descriptor: | MO25 PROTEIN | Authors: | Milburn, C.C, Boudeau, J, Deak, M, Alessi, D.R, Van Aalten, D.M.F. | Deposit date: | 2003-10-07 | Release date: | 2004-01-22 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal Structure of Mo25 Alpha in Complex with the C-Terminus of the Pseudo Kinase Ste-20 Related Adaptor (Strad) Nat.Struct.Mol.Biol., 11, 2004
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2A3B
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![BU of 2a3b by Molmil](/molmil-images/mine/2a3b) | Crystal structure of Aspergillus fumigatus chitinase B1 in complex with caffeine | Descriptor: | CAFFEINE, SULFATE ION, chitinase | Authors: | Rao, F.V, Andersen, O.A, Vora, K.A, DeMartino, J.A, van Aalten, D.M.F. | Deposit date: | 2005-06-24 | Release date: | 2005-09-27 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Methylxanthine drugs are chitinase inhibitors: investigation of inhibition and binding modes. Chem.Biol., 12, 2005
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1W1G
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![BU of 1w1g by Molmil](/molmil-images/mine/1w1g) | Crystal Structure of the PDK1 Pleckstrin Homology (PH) domain bound to DiC4-phosphatidylinositol (3,4,5)-trisphosphate | Descriptor: | (2R)-3-{[(S)-{[(2S,3R,5S,6S)-2,6-DIHYDROXY-3,4,5-TRIS(PHOSPHONOOXY)CYCLOHEXYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-2-(1-HYDROXY BUTOXY)PROPYL BUTYRATE, 3-PHOSPHOINOSITIDE DEPENDENT PROTEIN KINASE-1 | Authors: | Komander, D, Deak, M, Alessi, D.R, Van Aalten, D.M.F. | Deposit date: | 2004-06-21 | Release date: | 2004-11-19 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Structural Insights Into the Regulation of Pdk1 by Phosphoinositides and Inositol Phosphates Embo J., 23, 2004
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4CDR
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![BU of 4cdr by Molmil](/molmil-images/mine/4cdr) | Human O-GlcNAc transferase in complex with a bisubstrate inhibitor, Goblin1 | Descriptor: | GOBLIN1, SULFATE ION, UDP-N-ACETYLGLUCOSAMINE--PEPTIDE N-ACETYLGLUCOSAMINYLTRANSFERASE 110 KDA SUBUNIT, ... | Authors: | Schimpl, M, Gundogdu, M, van Aalten, D.M.F. | Deposit date: | 2013-11-05 | Release date: | 2013-12-04 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | Bisubstrate Udp-Peptide Conjugates as Human O-Glcnac Transferase Inhibitors. Biochem.J., 457, 2014
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5OXD
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![BU of 5oxd by Molmil](/molmil-images/mine/5oxd) | |
2J62
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![BU of 2j62 by Molmil](/molmil-images/mine/2j62) | Structure of a bacterial O-glcnacase in complex with glcnacstatin | Descriptor: | CHLORIDE ION, N-[(5R,6R,7R,8S)-6,7-DIHYDROXY-5-(HYDROXYMETHYL)-2-(2-PHENYLETHYL)-1,5,6,7,8,8A-HEXAHYDROIMIDAZO[1,2-A]PYRIDIN-8-YL]-2-METHYLPROPANAMIDE, O-GlcNAcase NagJ | Authors: | Dorfmueller, H.C, Borodkin, V.S, Schimpl, M, Shepherd, S.M, Shpiro, N.A, van Aalten, D.M.F. | Deposit date: | 2006-09-22 | Release date: | 2007-02-13 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | GlcNAcstatin: a picomolar, selective O-GlcNAcase inhibitor that modulates intracellular O-glcNAcylation levels. J. Am. Chem. Soc., 128, 2006
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1WCH
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![BU of 1wch by Molmil](/molmil-images/mine/1wch) | Crystal structure of PTPL1 human tyrosine phosphatase mutated in colorectal cancer - evidence for a second phosphotyrosine substrate recognition pocket | Descriptor: | PHOSPHATE ION, PROTEIN TYROSINE PHOSPHATASE, NON-RECEPTOR TYPE 13 | Authors: | Villa, F, Deak, M, Bloomberg, G.B, Alessi, D.R, Van Aalten, D.M.F. | Deposit date: | 2004-11-16 | Release date: | 2004-12-14 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Crystal Structure of Ptpl1/Fap-1 Human Tyrosine Phosphatase Mutated in Colorectal Cancer: Eveidence for a Second Phosphotyrosine Substrate Recognition Pocket J.Biol.Chem., 280, 2005
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5O51
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![BU of 5o51 by Molmil](/molmil-images/mine/5o51) | AfRom2 CNH domain | Descriptor: | Rho guanyl nucleotide exchange factor (Rom2), putative | Authors: | Wei, W, van Aalten, D. | Deposit date: | 2017-05-31 | Release date: | 2018-06-13 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Rom2 CNH domain from Aspergillus fumigatus is an atypical seven-bladed WD-40 protein To Be Published
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2C1G
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![BU of 2c1g by Molmil](/molmil-images/mine/2c1g) | Structure of Streptococcus pneumoniae peptidoglycan deacetylase (SpPgdA) | Descriptor: | ACETATE ION, DI(HYDROXYETHYL)ETHER, PEPTIDOGLYCAN GLCNAC DEACETYLASE, ... | Authors: | Blair, D.E, Schuttelkopf, A.W, MacRae, J.I, van Aalten, D.M.F. | Deposit date: | 2005-09-14 | Release date: | 2005-09-15 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structure and metal-dependent mechanism of peptidoglycan deacetylase, a streptococcal virulence factor. Proc. Natl. Acad. Sci. U.S.A., 102, 2005
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2W63
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![BU of 2w63 by Molmil](/molmil-images/mine/2w63) | |