4MKJ
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![BU of 4mkj by Molmil](/molmil-images/mine/4mkj) | Crystal structure of L-methionine gamma-lyase from Citrobacter freundii modified by allicine | Descriptor: | Methionine gamma-lyase, PENTAETHYLENE GLYCOL, SODIUM ION, ... | Authors: | Revtovich, S.V, Nikulin, A.D, Morozova, E.A, Zakomirdina, L.N, Demidkina, T.V. | Deposit date: | 2013-09-05 | Release date: | 2014-11-12 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.849 Å) | Cite: | Alliin is a suicide substrate of Citrobacter freundii methionine gamma-lyase: structural bases of inactivation of the enzyme. Acta Crystallogr.,Sect.D, 70, 2014
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1EAT
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![BU of 1eat by Molmil](/molmil-images/mine/1eat) | NONPEPTIDIC INHIBITORS OF HUMAN LEUKOCYTE ELASTASE. 5. DESIGN, SYNTHESIS, AND X-RAY CRYSTALLOGRAPHY OF A SERIES OF ORALLY ACTIVE 5-AMINO-PYRIMIDIN-6-ONE-CONTAINING TRIFLUOROMETHYLKETONES | Descriptor: | 2-[5-METHANESULFONYLAMINO-2-(4-AMINOPHENYL)-6-OXO-1,6-DIHYDRO-1-PYRIMIDINYL]-N-(3,3,3-TRIFLUORO-1-ISOPROPYL-2-OXOPROPYL)ACETAMIDE, PORCINE PANCREATIC ELASTASE, SODIUM ION, ... | Authors: | Ceccarelli, C. | Deposit date: | 1994-11-22 | Release date: | 1995-02-07 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Nonpeptidic inhibitors of human leukocyte elastase. 5. Design, synthesis, and X-ray crystallography of a series of orally active 5-aminopyrimidin-6-one-containing trifluoromethyl ketones. J.Med.Chem., 38, 1995
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4LVK
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![BU of 4lvk by Molmil](/molmil-images/mine/4lvk) | MobM Relaxase Domain (MOBV; Mob_Pre) bound to plasmid pMV158 oriT DNA (22nt+3'Phosphate). Mn-bound crystal structure at pH 4.6 | Descriptor: | ACTTTAT oligonucleotide, ATAAAGTATAGTGTGpo oligonucleotide, MANGANESE (II) ION, ... | Authors: | Pluta, R, Boer, D.R, Coll, M. | Deposit date: | 2013-07-26 | Release date: | 2014-09-24 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | Structural basis of a histidine-DNA nicking/joining mechanism for gene transfer and promiscuous spread of antibiotic resistance. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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1W4N
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![BU of 1w4n by Molmil](/molmil-images/mine/1w4n) | AGAO covalent complex with Tranylcypromine | Descriptor: | COPPER (II) ION, GLYCEROL, PHENYLETHYLAMINE OXIDASE, ... | Authors: | Duff, A.P, Trambaiolo, D.M, Langley, D.B, Juda, G.A, Shepard, E.M, Dooley, D.M, Freeman, H.C, Guss, J.M. | Deposit date: | 2004-07-27 | Release date: | 2005-12-08 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Complexes of the Copper-Containing Amine Oxidase from Arthrobacter Globiformis with the Inhibitors Benzylhydrazine and Tranylcypromine. Acta Crystallogr.,Sect.F, 64, 2008
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4KXW
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![BU of 4kxw by Molmil](/molmil-images/mine/4kxw) | Human transketolase in covalent complex with donor ketose D-xylulose-5-phosphate, crystal 2 | Descriptor: | 1,2-ETHANEDIOL, D-XYLITOL-5-PHOSPHATE, MAGNESIUM ION, ... | Authors: | Neumann, P, Luedtke, S, Ficner, R, Tittmann, K. | Deposit date: | 2013-05-28 | Release date: | 2013-08-21 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (0.97 Å) | Cite: | Sub-angstrom-resolution crystallography reveals physical distortions that enhance reactivity of a covalent enzymatic intermediate. Nat Chem, 5, 2013
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4KU0
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1EAS
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![BU of 1eas by Molmil](/molmil-images/mine/1eas) | NONPEPTIDIC INHIBITORS OF HUMAN LEUKOCYTE ELASTASE. 3. DESIGN, SYNTHESIS, X-RAY CRYSTALLOGRAPHIC ANALYSIS, AND STRUCTURE-ACTIVITY RELATIONSHIPS FOR A SERIES OF ORALLY ACTIVE 3-AMINO-6-PHENYLPYRIDIN-2-ONE TRIFLUOROMETHYL KETONES | Descriptor: | 3-[[(METHYLAMINO)SULFONYL]AMINO]-2-OXO-6-PHENYL-N-[3,3,3-TRIFLUORO-1-(1-METHYLETHYL)-2-OXOPHENYL]-1(2H)-PYRIDINE ACETAMIDE, PORCINE PANCREATIC ELASTASE, SODIUM ION, ... | Authors: | Ceccarelli, C. | Deposit date: | 1994-11-22 | Release date: | 1995-02-07 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Nonpeptidic inhibitors of human leukocyte elastase. 3. Design, synthesis, X-ray crystallographic analysis, and structure-activity relationships for a series of orally active 3-amino-6-phenylpyridin-2-one trifluoromethyl ketones. J.Med.Chem., 37, 1994
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1RV8
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![BU of 1rv8 by Molmil](/molmil-images/mine/1rv8) | Class II fructose-1,6-bisphosphate aldolase from Thermus aquaticus in complex with cobalt | Descriptor: | COBALT (II) ION, SODIUM ION, SULFATE ION, ... | Authors: | Izard, T, Sygusch, J. | Deposit date: | 2003-12-12 | Release date: | 2004-01-27 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Induced Fit Movements and Metal Cofactor Selectivity of Class II Aldolases: STRUCTURE OF THERMUS AQUATICUS FRUCTOSE-1,6-BISPHOSPHATE ALDOLASE. J.Biol.Chem., 279, 2004
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2DYS
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![BU of 2dys by Molmil](/molmil-images/mine/2dys) | Bovine heart cytochrome C oxidase modified by DCCD | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ... | Authors: | Shinzawa-Itoh, K, Aoyama, H, Muramoto, K, Kurauchi, T, Mizushima, T, Yamashita, E, Tsukihara, T, Yoshikawa, S. | Deposit date: | 2006-09-16 | Release date: | 2007-04-03 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structures and physiological roles of 13 integral lipids of bovine heart cytochrome c oxidase Embo J., 26, 2007
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4MJD
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![BU of 4mjd by Molmil](/molmil-images/mine/4mjd) | Crystal structure of ketosteroid isomerase fold protein Hmuk_0747 | Descriptor: | Ketosteroid isomerase fold protein Hmuk_0747, MAGNESIUM ION, SODIUM ION | Authors: | Chang, C, Holowicki, J, Bearden, J, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2013-09-03 | Release date: | 2013-09-18 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.28 Å) | Cite: | Crystal structure of ketosteroid isomerase fold protein Hmuk_0747 To be Published
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4LZD
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![BU of 4lzd by Molmil](/molmil-images/mine/4lzd) | Human DNA polymerase mu- Apoenzyme | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DNA-directed DNA/RNA polymerase mu, ... | Authors: | Moon, A.F, Pryor, J.M, Ramsden, D.A, Kunkel, T.A, Bebenek, K, Pedersen, L.C. | Deposit date: | 2013-07-31 | Release date: | 2014-02-05 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.849 Å) | Cite: | Sustained active site rigidity during synthesis by human DNA polymerase mu. Nat.Struct.Mol.Biol., 21, 2014
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2EIL
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![BU of 2eil by Molmil](/molmil-images/mine/2eil) | Cadmium ion binding structure of bovine heart cytochrome C oxidase in the fully oxidized state | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ... | Authors: | Muramoto, K, Hirata, K, Shinzawa-Itoh, K, Yoko-o, S, Yamashita, E, Aoyama, H, Tsukihara, T, Yoshikawa, S. | Deposit date: | 2007-03-13 | Release date: | 2007-05-29 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A histidine residue acting as a controlling site for dioxygen reduction and proton pumping by cytochrome c oxidase Proc.Natl.Acad.Sci.Usa, 104, 2007
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4M99
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4M60
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![BU of 4m60 by Molmil](/molmil-images/mine/4m60) | Crystal structure of macrolide glycosyltransferases OleD | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Oleandomycin glycosyltransferase, SODIUM ION | Authors: | Olmos Jr, J.L, Martinez III, E, Wang, F, Helmich, K.E, Singh, S, Xu, W, Bingman, C.A, Thorson, J.S, Phillips Jr, G.N, Enzyme Discovery for Natural Product Biosynthesis (NatPro) | Deposit date: | 2013-08-08 | Release date: | 2013-09-04 | Last modified: | 2019-07-17 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Crystal structure of macrolide glycosyltransferases OleD To be Published
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4MFZ
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![BU of 4mfz by Molmil](/molmil-images/mine/4mfz) | The crystal structure of acyltransferase in complex with decanoyl-CoA | Descriptor: | Dbv8 protein, SODIUM ION, SULFATE ION, ... | Authors: | Lyu, S.Y, Liu, Y.C, Chang, C.Y, Huang, C.J, Li, T.L. | Deposit date: | 2013-08-28 | Release date: | 2014-09-03 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Multiple complexes of long aliphatic N-acyltransferases lead to synthesis of 2,6-diacylated/2-acyl-substituted glycopeptide antibiotics, effectively killing vancomycin-resistant enterococcus J.Am.Chem.Soc., 136, 2014
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1K8X
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![BU of 1k8x by Molmil](/molmil-images/mine/1k8x) | Crystal Structure Of AlphaT183V Mutant Of Tryptophan Synthase From Salmonella Typhimurium | Descriptor: | PYRIDOXAL-5'-PHOSPHATE, SODIUM ION, TRYPTOPHAN SYNTHASE, ... | Authors: | Kulik, V, Weyand, M, Siedel, R, Niks, D, Arac, D, Dunn, M.F, Schlichting, I. | Deposit date: | 2001-10-26 | Release date: | 2002-12-18 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | On the Role of AlphaThr183 in the Allosteric Regulation and Catalytic Mechanism of Tryptophan Synthase J.Mol.Biol., 324, 2002
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1S6Q
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![BU of 1s6q by Molmil](/molmil-images/mine/1s6q) | CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE (RT) IN COMPLEX WITH JANSSEN-R147681 | Descriptor: | 4-[4-(2,4,6-TRIMETHYL-PHENYLAMINO)-PYRIMIDIN-2-YLAMINO]-BENZONITRILE, POL polyprotein [Contains: Reverse transcriptase] | Authors: | Das, K, Arnold, E. | Deposit date: | 2004-01-26 | Release date: | 2004-05-11 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Roles of Conformational and Positional Adaptability in Structure-Based Design of TMC125-R165335 (Etravirine) and Related Non-nucleoside Reverse Transcriptase Inhibitors That Are Highly Potent and Effective against Wild-Type and Drug-Resistant HIV-1 Variants. J.Med.Chem., 47, 2004
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4L7B
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![BU of 4l7b by Molmil](/molmil-images/mine/4l7b) | Structure of keap1 kelch domain with (1S,2R)-2-{[(1S)-1-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-3,4-dihydroisoquinolin-2(1H)-yl]carbonyl}cyclohexanecarboxylic acid | Descriptor: | (1S,2R)-2-{[(1S)-1-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-3,4-dihydroisoquinolin-2(1H)-yl]carbonyl}cyclohexanecarboxylic acid, ACETATE ION, Kelch-like ECH-associated protein 1, ... | Authors: | Jnoff, E, Brookfield, F, Albrecht, C, Barker, J.J, Barker, O, Beaumont, E, Bromidge, S, Brooks, M, Ceska, T, Courade, J.P, Crabbe, T, Duclos, S, Fryatt, T, Jigorel, E, Kwong, J, Sands, Z, Smith, M.A. | Deposit date: | 2013-06-13 | Release date: | 2014-02-19 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Binding Mode and Structure-Activity Relationships around Direct Inhibitors of the Nrf2-Keap1 Complex. Chemmedchem, 9, 2014
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4L8B
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![BU of 4l8b by Molmil](/molmil-images/mine/4l8b) | Crystal structure of the H2Db in complex with the NP-N5H peptide | Descriptor: | Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, H-2 class I histocompatibility antigen, ... | Authors: | Rossjohn, J, Gras, S. | Deposit date: | 2013-06-16 | Release date: | 2013-10-16 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Acute emergence and reversion of influenza A virus quasispecies within CD8(+) T cell antigenic peptides. Nat Commun, 4, 2013
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1S3P
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4LIZ
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![BU of 4liz by Molmil](/molmil-images/mine/4liz) | Crystal structure of coactosin from Entamoeba histolytica | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Actin-binding protein, cofilin/tropomyosin family protein, ... | Authors: | Gourinath, S, Kumar, N. | Deposit date: | 2013-07-04 | Release date: | 2014-07-23 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (1.499 Å) | Cite: | EhCoactosin stabilizes actin filaments in the protist parasite Entamoeba histolytica. Plos Pathog., 10, 2014
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1CKD
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![BU of 1ckd by Molmil](/molmil-images/mine/1ckd) | T43V MUTANT HUMAN LYSOZYME | Descriptor: | PROTEIN (LYSOZYME), SODIUM ION | Authors: | Takano, K, Yamagata, Y, Funahashi, J, Yutani, K. | Deposit date: | 1999-04-22 | Release date: | 1999-04-30 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Contribution of intra- and intermolecular hydrogen bonds to the conformational stability of human lysozyme(,). Biochemistry, 38, 1999
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4JII
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![BU of 4jii by Molmil](/molmil-images/mine/4jii) | Crystal Structure Of AKR1B10 Complexed With NADP+ And Zopolrestat | Descriptor: | 3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID, Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Zhang, L, Zheng, X, Zhang, H, Zhao, Y, Chen, K, Zhai, J, Hu, X, Structural Genomics Consortium (SGC) | Deposit date: | 2013-03-06 | Release date: | 2013-10-23 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Inhibitor selectivity between aldo-keto reductase superfamily members AKR1B10 and AKR1B1: Role of Trp112 (Trp111). Febs Lett., 587, 2013
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4JL7
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![BU of 4jl7 by Molmil](/molmil-images/mine/4jl7) | Crystal Structure of the Chemokine Receptor CXCR2 in Complex with the First PDZ Domain of NHERF1 | Descriptor: | CHLORIDE ION, Na(+)/H(+) exchange regulatory cofactor NHE-RF1 | Authors: | Lu, G, Wu, Y, Jiang, Y, Brunzelle, J, Sirinupong, N, Li, C, Yang, Z. | Deposit date: | 2013-03-12 | Release date: | 2013-10-23 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.16 Å) | Cite: | Structural Insights into Neutrophilic Migration Revealed by the Crystal Structure of the Chemokine Receptor CXCR2 in Complex with the First PDZ Domain of NHERF1. Plos One, 8, 2013
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4JST
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![BU of 4jst by Molmil](/molmil-images/mine/4jst) | Structure of Clostridium thermocellum polynucleotide kinase bound to UTP | Descriptor: | MAGNESIUM ION, Metallophosphoesterase, SODIUM ION, ... | Authors: | Das, U, Wang, L.K, Smith, P, Shuman, S. | Deposit date: | 2013-03-22 | Release date: | 2013-08-28 | Last modified: | 2013-12-18 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Structural and biochemical analysis of the phosphate donor specificity of the polynucleotide kinase component of the bacterial pnkphen1 RNA repair system. Biochemistry, 52, 2013
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