1HT8
| THE 2.7 ANGSTROM RESOLUTION MODEL OF OVINE COX-1 COMPLEXED WITH ALCLOFENAC | Descriptor: | (3-CHLORO-4-PROPOXY-PHENYL)-ACETIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, PROSTAGLANDIN H2 SYNTHASE-1, ... | Authors: | Selinsky, B.S, Gupta, K, Sharkey, C.T, Loll, P.J. | Deposit date: | 2000-12-29 | Release date: | 2001-04-11 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.69 Å) | Cite: | Structural analysis of NSAID binding by prostaglandin H2 synthase: time-dependent and time-independent inhibitors elicit identical enzyme conformations. Biochemistry, 40, 2001
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1HT5
| THE 2.75 ANGSTROM RESOLUTION MODEL OF OVINE COX-1 COMPLEXED WITH METHYL ESTER FLURBIPROFEN | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, FLURBIPROFEN METHYL ESTER, PROSTAGLANDIN H2 SYNTHASE-1, ... | Authors: | Selinsky, B.S, Gupta, K, Sharkey, C.T, Loll, P.J. | Deposit date: | 2000-12-28 | Release date: | 2001-04-11 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Structural analysis of NSAID binding by prostaglandin H2 synthase: time-dependent and time-independent inhibitors elicit identical enzyme conformations. Biochemistry, 40, 2001
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4GM7
| Structure of cinnamic acid bound bovine lactoperoxidase at 2.6A resolution. | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Pandey, N, Singh, A.K, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2012-08-15 | Release date: | 2012-09-19 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure of cinnamic acid bound bovine lactoperoxidase at 2.6A resolution To be Published
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1IGX
| Crystal Structure of Eicosapentanoic Acid Bound in the Cyclooxygenase Channel of Prostaglandin Endoperoxide H Synthase-1. | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5,8,11,14,17-EICOSAPENTAENOIC ACID, ... | Authors: | Malkowski, M.G, Thuresson, E.D, Smith, W.L, Garavito, R.M. | Deposit date: | 2001-04-18 | Release date: | 2001-12-12 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structure of eicosapentaenoic and linoleic acids in the cyclooxygenase site of prostaglandin endoperoxide H synthase-1. J.Biol.Chem., 276, 2001
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1IGZ
| Crystal Structure of Linoleic acid Bound in the Cyclooxygenase Channel of Prostaglandin Endoperoxide H Synthase-1. | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, LINOLEIC ACID, ... | Authors: | Malkowski, M.G, Thuresson, E.D, Smith, W.L, Garavito, R.M. | Deposit date: | 2001-04-18 | Release date: | 2001-12-12 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structure of eicosapentaenoic and linoleic acids in the cyclooxygenase site of prostaglandin endoperoxide H synthase-1. J.Biol.Chem., 276, 2001
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4HHR
| Crystal Structure of fatty acid alpha-dioxygenase (Arabidopsis thaliana) | Descriptor: | Alpha-dioxygenase, CALCIUM ION, CHLORIDE ION, ... | Authors: | Goulah, C.C, Zhu, G, Koszelak-Rosenblum, M, Malkowski, M.G. | Deposit date: | 2012-10-10 | Release date: | 2013-02-20 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | The crystal structure of alpha-Dioxygenase provides insight into diversity in the cyclooxygenase-peroxidase superfamily. Biochemistry, 52, 2013
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4HHS
| Crystal Structure of fatty acid alpha-dioxygenase (Arabidopsis thaliana) | Descriptor: | Alpha-dioxygenase, CALCIUM ION, CHLORIDE ION, ... | Authors: | Goulah, C.C, Zhu, G, Koszelak-Rosenblum, M, Malkowski, M.G. | Deposit date: | 2012-10-10 | Release date: | 2013-02-20 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The crystal structure of alpha-Dioxygenase provides insight into diversity in the cyclooxygenase-peroxidase superfamily. Biochemistry, 52, 2013
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7JXT
| Ovine COX-1 in complex with the subtype-selective derivative 2a | Descriptor: | 2-[4,5-bis(2-chlorophenyl)-1H-imidazol-2-yl]-6-(prop-2-en-1-yl)phenyl methoxyacetate, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Ko, Y, Iaselli, M, Miciaccia, M, Friedrich, L, Schneider, G, Scilimati, A, Cingolani, G. | Deposit date: | 2020-08-27 | Release date: | 2021-09-01 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.35 Å) | Cite: | Learning from Nature: From a Marine Natural Product to Synthetic Cyclooxygenase-1 Inhibitors by Automated De Novo Design. Adv Sci, 8, 2021
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7LAE
| CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH Compound-4 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 7-{[1-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}-1H-[1,2,3]triazolo[4,5-b]pyridin-5-amine, ... | Authors: | Khan, J.A. | Deposit date: | 2021-01-06 | Release date: | 2021-04-21 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.97 Å) | Cite: | Small molecule and macrocyclic pyrazole derived inhibitors of myeloperoxidase (MPO). Bioorg.Med.Chem.Lett., 42, 2021
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7LAN
| CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH COMPOUND-30 AKA 7-[(3~{S},4~{R},6~{R})-4-benzyl-2-oxa-7,13,14-triazatetracyclo[14.3.1.1^{3,6}.1^{11,14}]docosa-1(19),11(21),12,16(20),17-pentaen-10-yl]-3~{H}-triazolo[4,5-b]pyridin-5-amine | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 7-[(3R,4S,6S,10R)-4-benzyl-2-oxa-7,13,14-triazatetracyclo[14.3.1.1~3,6~.1~11,14~]docosa-1(20),11(21),12,16,18-pentaen-10-yl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine, ... | Authors: | Khan, J.A. | Deposit date: | 2021-01-06 | Release date: | 2021-04-21 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Small molecule and macrocyclic pyrazole derived inhibitors of myeloperoxidase (MPO). Bioorg.Med.Chem.Lett., 42, 2021
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7LAL
| CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH COMPOUND-18 AKA 7-(3-(2,3-DIHYDRO-1H-INDEN-1-YLAMINO)-1-PHENYLPROPYL)-1H-[1,2,3]TRIAZOLO[4,5-B]PYRIDIN-5-AMINE | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 7-[(1R)-3-{[(1R)-2,3-dihydro-1H-inden-1-yl]amino}-1-phenylpropyl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine, ... | Authors: | Khan, J.A. | Deposit date: | 2021-01-06 | Release date: | 2021-04-21 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Small molecule and macrocyclic pyrazole derived inhibitors of myeloperoxidase (MPO). Bioorg.Med.Chem.Lett., 42, 2021
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7LAG
| CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH Compound-14 AKA 7-({1-[(3-phenoxyphenyl)methyl]-1H-pyrazol-4-yl}methyl)-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 7-({1-[(3-phenoxyphenyl)methyl]-1H-pyrazol-4-yl}methyl)-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine, ... | Authors: | Khan, J.A. | Deposit date: | 2021-01-06 | Release date: | 2021-04-21 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Small molecule and macrocyclic pyrazole derived inhibitors of myeloperoxidase (MPO). Bioorg.Med.Chem.Lett., 42, 2021
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1MHL
| CRYSTAL STRUCTURE OF HUMAN MYELOPEROXIDASE ISOFORM C CRYSTALLIZED IN SPACE GROUP P2(1) AT PH 5.5 AND 20 DEG C | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CHLORIDE ION, ... | Authors: | Fenna, R.E, Zeng, J, Davey, C. | Deposit date: | 1995-06-09 | Release date: | 1996-01-06 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structure of the green heme in myeloperoxidase. Arch.Biochem.Biophys., 316, 1995
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4KSZ
| Crystal structure of bovine lactoperoxidase complexed with cystiene at 1.98A resolution | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Singh, R.P, Singh, N, Singh, A.K, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2013-05-19 | Release date: | 2013-07-10 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Crystal structure of bovine lactoperoxidase complexed with cystiene at 1.98A resolution To be Published
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5U6X
| COX-1:P6 COMPLEX STRUCTURE | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(5-chlorofuran-2-yl)-5-methyl-4-phenyl-1,2-oxazole, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Cingolani, G, Panella, A, Perrone, M.G, Vitale, P, Smith, W.L, Scilimati, A. | Deposit date: | 2016-12-09 | Release date: | 2017-08-09 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.93 Å) | Cite: | Structural basis for selective inhibition of Cyclooxygenase-1 (COX-1) by diarylisoxazoles mofezolac and 3-(5-chlorofuran-2-yl)-5-methyl-4-phenylisoxazole (P6). Eur J Med Chem, 138, 2017
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3BXI
| Structure of the complex of bovine lactoperoxidase with its catalyzed product hypothiocyanate ion at 2.3A resolution | Descriptor: | 1-(OXIDOSULFANYL)METHANAMINE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Singh, A.K, Singh, N, Sharma, S, Shin, K, Takase, M, Kaur, P, Srinivasan, A, Singh, T.P. | Deposit date: | 2008-01-14 | Release date: | 2008-03-25 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Inhibition of lactoperoxidase by its own catalytic product: crystal structure of the hypothiocyanate-inhibited bovine lactoperoxidase at 2.3-A resolution. Biophys.J., 96, 2009
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5UZU
| Immune evasion by a Staphylococcal Peroxidase Inhibitor that blocks myeloperoxidase | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | de Jong, N, Geisbrecht, B.V, van Strijp, J, Haas, P, Nijland, R, Ramyar, K, Fevre, C, Guerra, F, Voyich-Kane, J, van Kessel, C, Garcia, B. | Deposit date: | 2017-02-27 | Release date: | 2017-07-26 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.403 Å) | Cite: | Immune evasion by a staphylococcal inhibitor of myeloperoxidase. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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3ERI
| First structural evidence of substrate specificity in mammalian peroxidases: Crystal structures of substrate complexes with lactoperoxidases from two different species | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Singh, A.K, Singh, N, Sheikh, I.A, Sinha, M, Bhushan, A, Kaur, P, Srinivasan, A, Sharma, S, Singh, T.P. | Deposit date: | 2008-10-02 | Release date: | 2009-03-31 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural Evidence of Substrate Specificity in Mammalian Peroxidases: STRUCTURE OF THE THIOCYANATE COMPLEX WITH LACTOPEROXIDASE AND ITS INTERACTIONS AT 2.4 A RESOLUTION J.Biol.Chem., 284, 2009
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3ERH
| First structural evidence of substrate specificity in mammalian peroxidases: Crystal structures of substrate complexes with lactoperoxidases from two different species | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, IODIDE ION, ... | Authors: | Sheikh, I.A, Singh, N, Singh, A.K, Sinha, M, Singh, S.B, Bhushan, A, Kaur, P, Srinivasan, A, Sharma, S, Singh, T.P. | Deposit date: | 2008-10-02 | Release date: | 2009-03-31 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural Evidence of Substrate Specificity in Mammalian Peroxidases: STRUCTURE OF THE THIOCYANATE COMPLEX WITH LACTOPEROXIDASE AND ITS INTERACTIONS AT 2.4 A RESOLUTION J.Biol.Chem., 284, 2009
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5WBE
| COX-1:MOFEZOLAC COMPLEX STRUCTURE | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Mofezolac, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Cingolani, G, Panella, A, Perrone, M.G, Vitale, P, Smith, W.L, Scilimati, A. | Deposit date: | 2017-06-28 | Release date: | 2017-07-26 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Structural basis for selective inhibition of Cyclooxygenase-1 (COX-1) by diarylisoxazoles mofezolac and 3-(5-chlorofuran-2-yl)-5-methyl-4-phenylisoxazole (P6). Eur J Med Chem, 138, 2017
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5WDJ
| CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH COMPOUND-6 AKA 7-(BENZYLOXY)-1H-[1,2, 3]TRIAZOLO[4,5-D]PYRIMIDIN-5-AMINE | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 7-(benzyloxy)-1H-[1,2,3]triazolo[4,5-d]pyrimidin-5-amine, CALCIUM ION, ... | Authors: | Khan, J.A. | Deposit date: | 2017-07-05 | Release date: | 2018-04-18 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Triazolopyrimidines identified as reversible myeloperoxidase inhibitors. Medchemcomm, 8, 2017
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5WV3
| Crystal structure of bovine lactoperoxidase with a partial Glu258-heme linkage at 2.07 A resolution. | Descriptor: | 1-(OXIDOSULFANYL)METHANAMINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Singh, P.K, Sirohi, H.V, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2016-12-21 | Release date: | 2017-02-15 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Structural basis of activation of mammalian heme peroxidases Prog. Biophys. Mol. Biol., 133, 2018
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3F9P
| Crystal structure of myeloperoxidase from human leukocytes | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, CALCIUM ION, ... | Authors: | Carpena, X, Fita, I, Obinger, C. | Deposit date: | 2008-11-14 | Release date: | 2009-07-14 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.93 Å) | Cite: | Essential role of proximal histidine-asparagine interaction in Mammalian peroxidases. J.Biol.Chem., 284, 2009
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3FAQ
| Crystal structure of lactoperoxidase complex with cyanide | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CYANIDE ION, ... | Authors: | Sheikh, I.A, Singh, N, Sharma, S, Kaur, P, Srinivasan, A, Singh, T.P. | Deposit date: | 2008-11-18 | Release date: | 2009-03-31 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural Evidence of Substrate Specificity in Mammalian Peroxidases: STRUCTURE OF THE THIOCYANATE COMPLEX WITH LACTOPEROXIDASE AND ITS INTERACTIONS AT 2.4 A RESOLUTION J.Biol.Chem., 284, 2009
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3FNL
| Crystal Structure of the Complex of Buffalo Lactoperoxidase with Salicylhydroxamic Acid at 2.48 A Resolution | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, IODIDE ION, ... | Authors: | Sheikh, I.A, Vikram, G, Singh, N, Sinha, M, Bhushan, A, Sharma, S, Kaur, P, Singh, T.P. | Deposit date: | 2008-12-25 | Release date: | 2009-01-27 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Crystal Structure of the Complex of Buffalo Lactoperoxidase with Salicylhydroxamic Acid at 2.48 A Resolution To be Published
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