5I2Y
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![BU of 5i2y by Molmil](/molmil-images/mine/5i2y) | Crystal Structure of TPP1 K170A | Descriptor: | Adrenocortical dysplasia protein homolog | Authors: | Nandakumar, J, Smith, E.M. | Deposit date: | 2016-02-09 | Release date: | 2016-11-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural and functional consequences of a disease mutation in the telomere protein TPP1. Proc.Natl.Acad.Sci.USA, 113, 2016
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1AIZ
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![BU of 1aiz by Molmil](/molmil-images/mine/1aiz) | STRUCTURE OF APO-AZURIN FROM ALCALIGENES DENITRIFICANS AT 1.8 ANGSTROMS RESOLUTION | Descriptor: | AZURIN, CADMIUM ION, SULFATE ION | Authors: | Baker, E.N, Anderson, B.F, Blackwell, K.A. | Deposit date: | 1993-11-11 | Release date: | 1994-01-31 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure of apo-azurin from Alcaligenes denitrificans at 1.8 A resolution. Acta Crystallogr.,Sect.D, 49, 1993
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3TFB
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![BU of 3tfb by Molmil](/molmil-images/mine/3tfb) | Transthyretin natural mutant A25T | Descriptor: | Transthyretin | Authors: | Azevedo, E.P.C, Pereira, H.M, Garratt, R.C, Kelly, J.W, Foguel, D, Palhano, F.L. | Deposit date: | 2011-08-15 | Release date: | 2011-12-07 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.033 Å) | Cite: | Dissecting the Structure, Thermodynamic Stability, and Aggregation Properties of the A25T Transthyretin (A25T-TTR) Variant Involved in Leptomeningeal Amyloidosis: Identifying Protein Partners That Co-Aggregate during A25T-TTR Fibrillogenesis in Cerebrospinal Fluid. Biochemistry, 50, 2011
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3THU
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![BU of 3thu by Molmil](/molmil-images/mine/3thu) | Crystal structure of an enolase from sphingomonas sp. ska58 (efi target efi-501683) with bound mg | Descriptor: | CHLORIDE ION, GLYCEROL, MAGNESIUM ION, ... | Authors: | Vetting, M.W, Toro, R, Bhosle, R, Wasserman, S.R, Morisco, L.L, Hillerich, B, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Zencheck, W.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2011-08-19 | Release date: | 2011-09-14 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of an enolase from sphingomonas sp. ska58 (efi target efi-501683) with bound mg to be published
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3TDH
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![BU of 3tdh by Molmil](/molmil-images/mine/3tdh) | Structure of the regulatory fragment of sccharomyces cerevisiae AMPK in complex with AMP | Descriptor: | ADENOSINE MONOPHOSPHATE, Carbon catabolite-derepressing protein kinase, Nuclear protein SNF4, ... | Authors: | Mayer, F.V, Heath, R, Underwood, E, Sanders, M.J, Carmena, D, McCartney, R, Leiper, F.C, Xiao, B, Jing, C, Walker, P.A, Haire, L.F, Ogrodowicz, R, Martin, S.R, Schmidt, M.C, Gamblin, S.J, Carling, D. | Deposit date: | 2011-08-11 | Release date: | 2011-11-09 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | ADP Regulates SNF1, the Saccharomyces cerevisiae Homolog of AMP-Activated Protein Kinase. Cell Metab, 14, 2011
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5I6E
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![BU of 5i6e by Molmil](/molmil-images/mine/5i6e) | Crystal structure of the central domain of yeast acetyl-CoA carboxylase | Descriptor: | Acetyl-CoA carboxylase, MALONATE ION | Authors: | Hunkeler, M, Stuttfeld, E, Hagmann, A, Imseng, S, Maier, T. | Deposit date: | 2016-02-16 | Release date: | 2016-04-20 | Last modified: | 2016-04-27 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | The dynamic organization of fungal acetyl-CoA carboxylase. Nat Commun, 7, 2016
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3TFS
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![BU of 3tfs by Molmil](/molmil-images/mine/3tfs) | Ternary complex structure of DNA polymerase beta with a gapped DNA substrate and a, b dAMP(CFH)PP in the active site: Stereoselective binding of (S) isomer | Descriptor: | 2'-deoxy-5'-O-[(S)-{(S)-fluoro[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}(hydroxy)phosphoryl]adenosine, CHLORIDE ION, DNA (5'-D(*CP*CP*GP*AP*CP*TP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), ... | Authors: | Chamberlain, B.T, Batra, V.K, Beard, W.A, Kadina, A.P, Shock, D.D, Kashemirov, B.A, McKenna, C.E, Goodman, M.F, Wilson, S.H. | Deposit date: | 2011-08-16 | Release date: | 2012-03-21 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Stereospecific Formation of a Ternary Complex of (S)-alpha, beta-Fluoromethylene-dATP with DNA Pol beta. Chembiochem, 13, 2012
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3TGL
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![BU of 3tgl by Molmil](/molmil-images/mine/3tgl) | STRUCTURE AND MOLECULAR MODEL REFINEMENT OF RHIZOMUCOR MIEHEI TRIACYLGLYCERIDE LIPASE: A CASE STUDY OF THE USE OF SIMULATED ANNEALING IN PARTIAL MODEL REFINEMENT | Descriptor: | TRIACYL-GLYCEROL ACYLHYDROLASE | Authors: | Brady, L, Brzozowski, A.M, Derewenda, Z.S, Dodson, E.J, Dodson, G.G, Tolley, S.P, Turkenburg, J.P, Christiansen, L, Huge-Jensen, B, Norskov, L, Thim, L. | Deposit date: | 1991-07-29 | Release date: | 1993-07-15 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | STRUCTURE AND MOLECULAR-MODEL REFINEMENT OF RHIZOMUCOR-MIEHEI TRIACYLGLYCERIDE LIPASE - A CASE-STUDY OF THE USE OF SIMULATED ANNEALING IN PARTIAL MODEL REFINEMENT. Acta Crystallogr.,Sect.B, 48, 1992
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3TI5
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![BU of 3ti5 by Molmil](/molmil-images/mine/3ti5) | Crystal structure of 2009 pandemic H1N1 neuraminidase complexed with Zanamivir | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, CALCIUM ION, ... | Authors: | Vavricka, C.J, Li, Q, Wu, Y, Qi, J, Wang, M, Liu, Y, Gao, F, Liu, J, Feng, E, He, J, Wang, J, Liu, H, Jiang, H, Gao, G.F. | Deposit date: | 2011-08-20 | Release date: | 2011-11-16 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural and functional analysis of laninamivir and its octanoate prodrug reveals group specific mechanisms for influenza NA inhibition Plos Pathog., 7, 2011
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3TJI
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![BU of 3tji by Molmil](/molmil-images/mine/3tji) | CRYSTAL STRUCTURE OF AN ENOLASE FROM ENTEROBACTER sp. 638 (EFI TARGET EFI-501662) with BOUND MG | Descriptor: | CHLORIDE ION, GLYCEROL, MAGNESIUM ION, ... | Authors: | Vetting, M.W, Toro, R, Bhosle, R, Wasserman, S.R, Morisco, L.L, Hillerich, B, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Zencheck, W.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2011-08-24 | Release date: | 2011-09-14 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of an enolase from enterobacter sp. 638 (efi target efi-501662) with boung mg to be published
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3TI1
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![BU of 3ti1 by Molmil](/molmil-images/mine/3ti1) | CDK2 in complex with SUNITINIB | Descriptor: | 1,2-ETHANEDIOL, Cyclin-dependent kinase 2, N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbo xamide | Authors: | Alam, R, Schonbrunn, E. | Deposit date: | 2011-08-19 | Release date: | 2012-08-22 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | A Novel Approach to the Discovery of Small-Molecule Ligands of CDK2. Chembiochem, 13, 2012
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3TI6
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![BU of 3ti6 by Molmil](/molmil-images/mine/3ti6) | Crystal structure of 2009 pandemic H1N1 neuraminidase complexed with oseltamivir | Descriptor: | (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ... | Authors: | Vavricka, C.J, Li, Q, Wu, Y, Qi, J, Wang, M, Liu, Y, Gao, F, Liu, J, Feng, E, He, J, Wang, J, Liu, H, Jiang, H, Gao, G.F. | Deposit date: | 2011-08-20 | Release date: | 2011-11-23 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Structural and functional analysis of laninamivir and its octanoate prodrug reveals group specific mechanisms for influenza NA inhibition Plos Pathog., 7, 2011
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3TOA
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![BU of 3toa by Molmil](/molmil-images/mine/3toa) | Human MOF crystal structure with active site lysine partially acetylated | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, ZINC ION, ... | Authors: | Yuan, H, Ding, E.C, Marmorstein, R. | Deposit date: | 2011-09-04 | Release date: | 2011-11-09 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (3.004 Å) | Cite: | MYST protein acetyltransferase activity requires active site lysine autoacetylation. Embo J., 31, 2011
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3TQW
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![BU of 3tqw by Molmil](/molmil-images/mine/3tqw) | Structure of a ABC transporter, periplasmic substrate-binding protein from Coxiella burnetii | Descriptor: | METHIONINE, Methionine-binding protein, SULFATE ION | Authors: | Cheung, J, Franklin, M.C, Rudolph, M, Cassidy, M, Gary, E, Burshteyn, F, Love, J. | Deposit date: | 2011-09-09 | Release date: | 2011-09-21 | Last modified: | 2017-11-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural genomics for drug design against the pathogen Coxiella burnetii. Proteins, 83, 2015
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3TJ5
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![BU of 3tj5 by Molmil](/molmil-images/mine/3tj5) | human vinculin head domain (Vh1, residues 1-258) in complex with the vinculin binding site of the surface cell antigen 4 (sca4-VBS-N; residues 412-434) from Rickettsia rickettsii | Descriptor: | Antigenic heat-stable 120 kDa protein, GLYCEROL, Vinculin | Authors: | Park, H, Lee, J.H, Gouin, E, Cossart, P, Izard, T. | Deposit date: | 2011-08-23 | Release date: | 2011-09-07 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | The rickettsia surface cell antigen 4 applies mimicry to bind to and activate vinculin. J.Biol.Chem., 286, 2011
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3TNQ
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![BU of 3tnq by Molmil](/molmil-images/mine/3tnq) | Structure and Allostery of the PKA RIIb Tetrameric Holoenzyme | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Protein kinase, ... | Authors: | Zhang, P, Smith-Nguyen, E.V, Keshwani, M.M, Deal, M.S, Kornev, A.P, Taylor, S.S. | Deposit date: | 2011-09-01 | Release date: | 2012-02-01 | Last modified: | 2012-09-26 | Method: | X-RAY DIFFRACTION (3.097 Å) | Cite: | Structure and allostery of the PKA RIIbeta tetrameric holoenzyme Science, 335, 2012
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3TO6
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![BU of 3to6 by Molmil](/molmil-images/mine/3to6) | |
1AID
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![BU of 1aid by Molmil](/molmil-images/mine/1aid) | STRUCTURE OF A NON-PEPTIDE INHIBITOR COMPLEXED WITH HIV-1 PROTEASE: DEVELOPING A CYCLE OF STRUCTURE-BASED DRUG DESIGN | Descriptor: | 4-(4-CHLORO-PHENYL)-1-{3-[2-(4-FLUORO-PHENYL)-[1,3]DITHIOLAN-2-YL]-PROPYL}-PIPERIDIN-4-OL, CHLORIDE ION, HUMAN IMMUNODEFICIENCY VIRUS PROTEASE | Authors: | Rutenber, E.E, Fauman, E.B, Keenan, R.J, Stroud, R.M. | Deposit date: | 1997-04-16 | Release date: | 1997-10-15 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure of a non-peptide inhibitor complexed with HIV-1 protease. Developing a cycle of structure-based drug design. J.Biol.Chem., 268, 1993
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4ZNV
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![BU of 4znv by Molmil](/molmil-images/mine/4znv) | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in complex with a 2-Methoxy-substituted OBHS derivative | Descriptor: | 2-methoxyphenyl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate, Estrogen receptor, Nuclear receptor-interacting peptide | Authors: | Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W. | Deposit date: | 2015-05-05 | Release date: | 2016-05-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.771 Å) | Cite: | Predictive features of ligand-specific signaling through the estrogen receptor. Mol.Syst.Biol., 12, 2016
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4Z7A
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![BU of 4z7a by Molmil](/molmil-images/mine/4z7a) | Structural and biochemical characterization of a non-functionally redundant M. tuberculosis (3,3) L,D-Transpeptidase, LdtMt5. | Descriptor: | ACETYL GROUP, DI(HYDROXYETHYL)ETHER, Mycobacterium tuberculosis (3,3)L,D-Transpeptidase type 5, ... | Authors: | Basta, L, Ghosh, A, Pan, Y, Jakoncic, J, Lloyd, E, Townsend, G, Lamichhane, G, Bianchet, M.A. | Deposit date: | 2015-04-06 | Release date: | 2015-09-02 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Loss of a Functionally and Structurally Distinct ld-Transpeptidase, LdtMt5, Compromises Cell Wall Integrity in Mycobacterium tuberculosis. J.Biol.Chem., 290, 2015
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4ZNS
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![BU of 4zns by Molmil](/molmil-images/mine/4zns) | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in complex with a 3-Fluoro-substituted OBHS derivative | Descriptor: | 3-fluorophenyl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate, Estrogen receptor, Nuclear receptor-interacting peptide | Authors: | Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W. | Deposit date: | 2015-05-05 | Release date: | 2016-05-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Predictive features of ligand-specific signaling through the estrogen receptor. Mol.Syst.Biol., 12, 2016
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1FTK
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![BU of 1ftk by Molmil](/molmil-images/mine/1ftk) | |
1FUV
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![BU of 1fuv by Molmil](/molmil-images/mine/1fuv) | |
1FVT
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![BU of 1fvt by Molmil](/molmil-images/mine/1fvt) | THE STRUCTURE OF CYCLIN-DEPENDENT KINASE 2 (CDK2) IN COMPLEX WITH AN OXINDOLE INHIBITOR | Descriptor: | 4-[(2Z)-2-(5-bromo-2-oxo-1,2-dihydro-3H-indol-3-ylidene)hydrazinyl]benzene-1-sulfonamide, CELL DIVISION PROTEIN KINASE 2 | Authors: | Davis, S.T, Benson, B.G, Bramson, H.N, Chapman, D.E, Dickerson, S.H, Dold, K.M, Eberwein, D.J, Edelstein, M, Frye, S.V, Gampe Jr, R.T, Griffin, R.J, Harris, P.A, Hassell, A.M, Holmes, W.D, Hunter, R.N, Knick, V.B, Lackey, K, Lovejoy, B, Luzzio, M.J, Murray, D, Parker, P, Rocque, W.J, Shewchuk, L, Veal, J.M, Walker, D.H, Kuyper, L.K. | Deposit date: | 2000-09-20 | Release date: | 2001-01-17 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Prevention of chemotherapy-induced alopecia in rats by CDK inhibitors. Science, 291, 2001
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1U68
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![BU of 1u68 by Molmil](/molmil-images/mine/1u68) | DHNA 7,8 DIHYDRONEOPTERIN COMPLEX | Descriptor: | 2-AMINO-7,8-DIHYDRO-6-(1,2,3-TRIHYDROXYPROPYL)-4(1H)-PTERIDINONE, Dihydroneopterin aldolase | Authors: | Sanders, W.J, Nienaber, V.L, Lerner, C.G, McCall, J.O, Merrick, S.M, Swanson, S.J, Harlan, J.E, Stoll, V.S, Stamper, G.F, Betz, S.F, Condroski, K.R, Meadows, R.P, Severin, J.M, Walter, K.A, Magdalinos, P, Jakob, C.G, Wagner, R, Beutel, B.A. | Deposit date: | 2004-07-29 | Release date: | 2004-10-19 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Discovery of potent inhibitors of dihydroneopterin aldolase using CrystaLEAD high-throughput X-ray crystallographic screening and structure-directed lead optimization. J.MED.CHEM., 47, 2004
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