3BF6
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![BU of 3bf6 by Molmil](/molmil-images/mine/3bf6) | Thrombin:suramin complex | Descriptor: | 8,8'-[CARBONYLBIS[IMINO-3,1-PHENYLENECARBONYLIMINO(4-METHYL-3,1-PHENYLENE)CARBONYLIMINO]]BIS-1,3,5-NAPHTHALENETRISULFONIC ACID, PHE-PRO-ARG, Thrombin, ... | Authors: | Lima, L.M.T.R, Polikarpov, I, Monteiro, R.Q. | Deposit date: | 2007-11-20 | Release date: | 2007-12-25 | Last modified: | 2015-07-15 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural and thermodynamic analysis of thrombin:suramin interaction in solution and crystal phases. Biochim.Biophys.Acta, 1794, 2009
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1TB6
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![BU of 1tb6 by Molmil](/molmil-images/mine/1tb6) | 2.5A Crystal Structure of the Antithrombin-Thrombin-Heparin Ternary Complex | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2,3,4,6-tetra-O-sulfonato-alpha-D-glucopyranose-(1-4)-2,3,6-tri-O-sulfo-alpha-D-glucopyranose-(1-4)-2,3,6-tri-O-sulfonato-beta-D-glucopyranose-(1-4)-2,3-di-O-methyl-6-O-sulfonato-alpha-D-glucopyranose-(1-4)-2,3,6-tri-O-methyl-beta-D-glucopyranose-(1-4)-2,3,6-tri-O-methyl-alpha-D-glucopyranose-(1-4)-2,3,6-tri-O-methyl-beta-D-glucopyranose-(1-4)-2,3,6-tri-O-methyl-alpha-D-glucopyranose-(1-4)-2,3,6-tri-O-methyl-beta-D-glucopyranose-(1-4)-2,3,6-tri-O-methyl-alpha-D-glucopyranose-(1-4)-2,3,6-tri-O-methyl-beta-D-glucopyranose-(1-4)-2,3-di-O-methyl-6-O-sulfonato-alpha-D-glucopyranose-(1-4)-2,3-di-O-methyl-beta-D-glucopyranuronic acid-(1-4)-2,3,6-tri-O-sulfo-alpha-D-glucopyranose-(1-4)-2,3-di-O-methyl-alpha-L-idopyranuronic acid-(1-4)-methyl 3-O-methyl-2,6-di-O-sulfo-alpha-D-glucopyranoside, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Li, W, Johnson, D.J, Esmon, C.T, Huntington, J.A. | Deposit date: | 2004-05-19 | Release date: | 2004-08-17 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure of the antithrombin-thrombin-heparin ternary complex reveals the antithrombotic mechanism of heparin. Nat.Struct.Mol.Biol., 11, 2004
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1TMU
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![BU of 1tmu by Molmil](/molmil-images/mine/1tmu) | |
2PKS
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![BU of 2pks by Molmil](/molmil-images/mine/2pks) | Thrombin in complex with inhibitor | Descriptor: | 4-({[4-(3-METHYLBENZOYL)PYRIDIN-2-YL]AMINO}METHYL)BENZENECARBOXIMIDAMIDE, Hirudin, SODIUM ION, ... | Authors: | Xue, Y. | Deposit date: | 2007-04-18 | Release date: | 2008-04-22 | Last modified: | 2017-10-18 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Design, synthesis and biological evaluation of thrombin inhibitors based on a pyridine scaffold. Org.Biomol.Chem., 5, 2007
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6Z8X
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![BU of 6z8x by Molmil](/molmil-images/mine/6z8x) | X-ray structure of the complex between human alpha thrombin and a thrombin binding aptamer variant (TBA-3Leu), which contains leucyl amide in the side chain of Thy3 at N3. | Descriptor: | D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, POTASSIUM ION, Prothrombin, ... | Authors: | Troisi, R, Timofeev, E.N, Sica, F. | Deposit date: | 2020-06-02 | Release date: | 2021-01-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | Expanding the recognition interface of the thrombin-binding aptamer HD1 through modification of residues T3 and T12. Mol Ther Nucleic Acids, 23, 2021
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2J0T
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![BU of 2j0t by Molmil](/molmil-images/mine/2j0t) | Crystal Structure of the Catalytic Domain of MMP-1 in Complex with the Inhibitory Domain of TIMP-1 | Descriptor: | CALCIUM ION, INTERSTITIAL COLLAGENASE, METALLOPROTEINASE INHIBITOR 1, ... | Authors: | Iyer, S, Wei, S, Brew, K, Acharya, K.R. | Deposit date: | 2006-08-04 | Release date: | 2006-10-18 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.54 Å) | Cite: | Crystal Structure of the Catalytic Domain of Matrix Metalloproteinase-1 in Complex with the Inhibitory Domain of Tissue Inhibitor of Metalloproteinase-1. J.Biol.Chem., 282, 2007
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3P70
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![BU of 3p70 by Molmil](/molmil-images/mine/3p70) | Structural basis of thrombin-mediated factor V activation: essential role of the hirudin-like sequence Glu666-Glu672 for processing at the heavy chain-B domain junction | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BENZAMIDINE, ... | Authors: | Corral-Rodriguez, M.A, Bock, P.E, Hernandez-Carvajal, E, Gutierrez-Gallego, R, Fuentes-Prior, P. | Deposit date: | 2010-10-11 | Release date: | 2011-09-28 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Structural basis of thrombin-mediated factor V activation: the Glu666-Glu672 sequence is critical for processing at the heavy chain-B domain junction. Blood, 117, 2011
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8ASE
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![BU of 8ase by Molmil](/molmil-images/mine/8ase) | Crystal structure of Thrombin in complex with macrocycle T3 | Descriptor: | (8~{S},14~{S},18~{E})-8-[(4-chlorophenyl)methyl]-3,21-dithia-7,10,16-triazatricyclo[21.2.2.1^{10,14}]octacosa-1(26),18,23(27),24-tetraene-6,9,15-trione, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Chinellato, M, Angelini, A, Nielsen, A, Heinis, C, Cendron, L. | Deposit date: | 2022-08-19 | Release date: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Crystal structure of Thrombin in complex with optimized macrocycles T1 and T3 To Be Published
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4LZ4
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![BU of 4lz4 by Molmil](/molmil-images/mine/4lz4) | X-ray structure of the complex between human thrombin and the TBA deletion mutant lacking thymine 3 nucleobase | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, POTASSIUM ION, ... | Authors: | Pica, A, Russo Krauss, I, Merlino, A, Sica, F. | Deposit date: | 2013-07-31 | Release date: | 2014-01-08 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.56 Å) | Cite: | Dissecting the contribution of thrombin exosite I in the recognition of thrombin binding aptamer. Febs J., 280, 2013
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8ASF
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![BU of 8asf by Molmil](/molmil-images/mine/8asf) | Crystal structure of Thrombin in complex with macrocycle T1 | Descriptor: | 5-chloranyl-~{N}-[[(9~{S},15~{R})-8,14,17-tris(oxidanylidene)-3,20-dithia-7,13,16-triazatetracyclo[20.2.2.1^{5,7}.1^{9,13}]octacosa-1(25),22(26),23-trien-15-yl]methyl]thiophene-2-carboxamide, Thrombin heavy chain, Thrombin light chain | Authors: | Chinellato, M, Angelini, A, Nielsen, A, Heinis, C, Cendron, L. | Deposit date: | 2022-08-19 | Release date: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | Crystal structure of Thrombin in complex with optimized macrocycles T1 and T3 To Be Published
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4BOH
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![BU of 4boh by Molmil](/molmil-images/mine/4boh) | Madanins (MEROPS I53) are cleaved by thrombin and factor Xa | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, SODIUM ION, SULFATE ION, ... | Authors: | Figueiredo, A.C, deSanctis, D, Pereira, P.J.B. | Deposit date: | 2013-05-20 | Release date: | 2013-09-04 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.595 Å) | Cite: | The Tick-Derived Anticoagulant Madanin is Processed by Thrombin and Factor Xa. Plos One, 8, 2013
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3HKJ
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![BU of 3hkj by Molmil](/molmil-images/mine/3hkj) | Crystal structure of human thrombin mutant W215A/E217A in complex with the extracellular fragment of human PAR1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Proteinase-activated receptor 1, Thrombin heavy chain, ... | Authors: | Gandhi, P.S, Page, M.J, Chen, Z, Bush-Pelc, L, Di Cera, E. | Deposit date: | 2009-05-23 | Release date: | 2009-07-07 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Mechanism of the Anticoagulant Activity of Thrombin Mutant W215A/E217A. J.Biol.Chem., 284, 2009
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4AZ2
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![BU of 4az2 by Molmil](/molmil-images/mine/4az2) | Human thrombin - inhibitor complex | Descriptor: | (R)-N-((S)-1-CARBAMIMIDOYL-PIPERIDIN-3-YLMETHYL)-2-(NAPHTHALENE-2-SULFONYLAMINO)-3-PHENYL-PROPIONAMIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose, HIRUDIN-3A', ... | Authors: | Banner, D.W, D'Arcy, A, Winkler, F.K, Hilpert, K. | Deposit date: | 2012-06-22 | Release date: | 2012-08-15 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Design and Synthesis of Potent and Highly Selective Thrombin Inhibitors. J.Med.Chem., 37, 1994
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4AYY
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![BU of 4ayy by Molmil](/molmil-images/mine/4ayy) | Human thrombin - inhibitor complex | Descriptor: | (R)-1-[(S)-3-[((S)-1-Carbamimidoyl-piperidin-3-ylmethyl)-carbamoyl]-2-(naphthalene-2-sulfonylamino)-propionyl]-4-methyl-piperidine-2-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, HIRUDIN-3A', ... | Authors: | Banner, D.W, D'Arcy, A, Winkler, F.K, Hilpert, K. | Deposit date: | 2012-06-22 | Release date: | 2012-08-15 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Design and Synthesis of Potent and Highly Selective Thrombin Inhibitors. J.Med.Chem., 37, 1994
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1HDT
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![BU of 1hdt by Molmil](/molmil-images/mine/1hdt) | |
1BMM
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![BU of 1bmm by Molmil](/molmil-images/mine/1bmm) | |
1P8V
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![BU of 1p8v by Molmil](/molmil-images/mine/1p8v) | CRYSTAL STRUCTURE OF THE COMPLEX OF PLATELET RECEPTOR GPIB-ALPHA AND ALPHA-THROMBIN AT 2.6A | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIISOPROPYL PHOSPHONATE, ... | Authors: | Dumas, J.J, Kumar, R, Seehra, J, Somers, W.S, Mosyak, L. | Deposit date: | 2003-05-07 | Release date: | 2003-07-22 | Last modified: | 2021-10-27 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal Structure of the GpIbalpha-Thrombin Complex Essential for Platelet Aggregation Science, 301, 2003
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2CLT
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![BU of 2clt by Molmil](/molmil-images/mine/2clt) | Crystal structure of the active form (full-length) of human fibroblast collagenase. | Descriptor: | CALCIUM ION, INTERSTITIAL COLLAGENASE, ZINC ION | Authors: | Iyer, S, Visse, R, Nagase, H, Acharya, K.R. | Deposit date: | 2006-04-29 | Release date: | 2006-08-09 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.67 Å) | Cite: | Crystal Structure of an Active Form of Human Mmp-1. J.Mol.Biol., 362, 2006
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1C4Y
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![BU of 1c4y by Molmil](/molmil-images/mine/1c4y) | SELECTIVE NON-ELECTROPHILIC THROMBIN INHIBITORS | Descriptor: | 2-(2,2-DIPHENYL-ETHYL)-7-METHYL-1,3-DIOXO-2,3,5,8-TETRAHYDRO-1H-[1,2,4] TRIAZOLO[1,2-A]PYRIDAZINE-5-CARBOXYLIC ACID [4-(2-AMINO-3H-IMIDAZOL-4-YL)-CYCLOHEXYL]-AMIDE, HIRUGEN, THROMBIN:LONG CHAIN, ... | Authors: | Krishnan, R, Mochalkin, I, Arni, R.K, Tulinsky, A. | Deposit date: | 1999-10-05 | Release date: | 2000-10-09 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structure of thrombin complexed with selective non-electrophilic inhibitors having cyclohexyl moieties at P1. Acta Crystallogr.,Sect.D, 56, 2000
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3EE0
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![BU of 3ee0 by Molmil](/molmil-images/mine/3ee0) | Crystal Structure of the W215A/E217A Mutant of Human Thrombin (space group P2(1)2(1)2(1)) | Descriptor: | Thrombin heavy chain, Thrombin light chain | Authors: | Gandhi, P.S, Page, M.J, Chen, Z, Bush-Pelc, L, Di Cera, E. | Deposit date: | 2008-09-03 | Release date: | 2009-07-07 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Molecular Basis for the Kinetic Differences of the W215A/E217A Mutant of Human and Murine Thrombin To be Published
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1HAP
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![BU of 1hap by Molmil](/molmil-images/mine/1hap) | COMPLEX OF HUMAN ALPHA-THROMBIN WITH A 15MER OLIGONUCLEOTIDE GGTTGGTGTGGTTGG (BASED ON X-RAY MODEL OF DNA) | Descriptor: | 5'-D(*GP*GP*TP*TP*GP*GP*TP*GP*TP*GP*GP*TP*TP*GP*G)-3', D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, Thrombin heavy chain, ... | Authors: | Padmanabhan, K, Tulinsky, A. | Deposit date: | 1995-10-03 | Release date: | 1996-04-03 | Last modified: | 2013-02-27 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | An ambiguous structure of a DNA 15-mer thrombin complex. Acta Crystallogr.,Sect.D, 52, 1996
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1HAO
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![BU of 1hao by Molmil](/molmil-images/mine/1hao) | COMPLEX OF HUMAN ALPHA-THROMBIN WITH A 15MER OLIGONUCLEOTIDE GGTTGGTGTGGTTGG (BASED ON NMR MODEL OF DNA) | Descriptor: | ALPHA-THROMBIN heavy chain, ALPHA-THROMBIN light chain, D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, ... | Authors: | Tulinsky, A, Padmanabhan, K. | Deposit date: | 1995-10-03 | Release date: | 1996-04-03 | Last modified: | 2013-02-27 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | An ambiguous structure of a DNA 15-mer thrombin complex. Acta Crystallogr.,Sect.D, 52, 1996
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6PXQ
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![BU of 6pxq by Molmil](/molmil-images/mine/6pxq) | Crystal structure of human thrombin mutant D194A | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Thrombin heavy chain, Thrombin light chain | Authors: | Stojanovski, B, Chen, Z, Koester, S.K, Pelc, L.A, Di Cera, E. | Deposit date: | 2019-07-26 | Release date: | 2019-12-18 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Role of the I16-D194 ionic interaction in the trypsin fold. Sci Rep, 9, 2019
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6GN7
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![BU of 6gn7 by Molmil](/molmil-images/mine/6gn7) | X-ray structure of the complex between human alpha thrombin and NU172, a duplex/quadruplex 26-mer DNA aptamer, in the presence of sodium ions. | Descriptor: | D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, GLYCEROL, N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Troisi, R, Russo Krauss, I, Sica, F. | Deposit date: | 2018-05-30 | Release date: | 2018-10-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Several structural motifs cooperate in determining the highly effective anti-thrombin activity of NU172 aptamer. Nucleic Acids Res., 46, 2018
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4AYV
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![BU of 4ayv by Molmil](/molmil-images/mine/4ayv) | Human thrombin - inhibitor complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, HIRUDIN-3A', SODIUM ION, ... | Authors: | Banner, D.W, D'Arcy, A, Winkler, F.K, Hilpert, K. | Deposit date: | 2012-06-22 | Release date: | 2012-08-15 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Design and Synthesis of Potent and Highly Selective Thrombin Inhibitors. J.Med.Chem., 37, 1994
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