3A3U
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![BU of 3a3u by Molmil](/molmil-images/mine/3a3u) | Crystal structure of MqnD (TTHA1568), a menaquinone biosynthetic enzyme from Thermus thermophilus HB8 | 分子名称: | 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, L(+)-TARTARIC ACID, Menaquinone biosynthetic enzyme, ... | 著者 | Arai, R, Nishino, A, Nagano, K, Uchikubo-Kamo, T, Katsura, K, Nishimoto, M, Toyama, M, Terada, T, Kuramitsu, S, Murayama, K, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | 登録日 | 2009-06-20 | 公開日 | 2009-07-14 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Crystal structure of MqnD (TTHA1568), a menaquinone biosynthetic enzyme from Thermus thermophilus HB8. J.Struct.Biol., 168, 2009
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1FFF
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![BU of 1fff by Molmil](/molmil-images/mine/1fff) | STRUCTURAL IMPLICATIONS OF DRUG RESISTANT MUTANTS OF HIV-1 PROTEASE : HIGH RESOLUTION CRYSTAL STRUCTURES OF THE MUTANT PROTEASE/SUBSTRATE ANALOG COMPLEXES. | 分子名称: | N-[(2R)-2-({N~5~-[amino(iminio)methyl]-L-ornithyl-L-valyl}amino)-4-methylpentyl]-L-phenylalanyl-L-alpha-glutamyl-L-alanyl-L-norleucinamide, PROTEASE RETROPEPSIN | 著者 | Mahalingam, B, Louis, J.M, Harrison, R.W, Weber, I.T. | 登録日 | 2000-07-25 | 公開日 | 2001-06-01 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structural implications of drug-resistant mutants of HIV-1 protease: high-resolution crystal structures of the mutant protease/substrate analogue complexes. Proteins, 43, 2001
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6MJX
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![BU of 6mjx by Molmil](/molmil-images/mine/6mjx) | human cGAS catalytic domain bound with cGAMP | 分子名称: | Cyclic GMP-AMP synthase, ZINC ION, cGAMP | 著者 | Lama, L, Adura, C, Xie, W, Tomita, D, Kamei, T, Kuryavyi, V, Gogakos, T, Steinberg, J.I, Miller, M, Ramos-Espiritu, L, Asano, Y, Hashizume, S, Aida, J, Imaeda, T, Okamoto, R, Jennings, A.J, Michinom, M, Kuroita, T, Stamford, A, Gao, P, Meinke, P, Glickman, J.F, Patel, D.J, Tuschl, T. | 登録日 | 2018-09-23 | 公開日 | 2019-05-29 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Development of human cGAS-specific small-molecule inhibitors for repression of dsDNA-triggered interferon expression. Nat Commun, 10, 2019
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1U99
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2IZB
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![BU of 2izb by Molmil](/molmil-images/mine/2izb) | APOSTREPTAVIDIN PH 3.12 I4122 STRUCTURE | 分子名称: | FORMIC ACID, STREPTAVIDIN, SULFATE ION | 著者 | Katz, B.A. | 登録日 | 1997-08-13 | 公開日 | 1998-09-16 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | Binding of biotin to streptavidin stabilizes intersubunit salt bridges between Asp61 and His87 at low pH. J.Mol.Biol., 274, 1997
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2IZK
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![BU of 2izk by Molmil](/molmil-images/mine/2izk) | STREPTAVIDIN-GLYCOLURIL PH 2.58 I4122 COMPLEX | 分子名称: | ACETATE ION, GLYCOLURIL, STREPTAVIDIN, ... | 著者 | Katz, B.A. | 登録日 | 1997-08-13 | 公開日 | 1998-09-16 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | Binding of biotin to streptavidin stabilizes intersubunit salt bridges between Asp61 and His87 at low pH. J.Mol.Biol., 274, 1997
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6MJU
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![BU of 6mju by Molmil](/molmil-images/mine/6mju) | human cGAS catalytic domain bound with the inhibitor G108 | 分子名称: | 1-[6,7-dichloro-9-(1H-pyrazol-4-yl)-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl]-2-hydroxyethan-1-one, Cyclic GMP-AMP synthase, ZINC ION | 著者 | Lama, L, Adura, C, Xie, W, Tomita, D, Kamei, T, Kuryavyi, V, Gogakos, T, Steinberg, J.I, Miller, M, Ramos-Espiritu, L, Asano, Y, Hashizume, S, Aida, J, Imaeda, T, Okamoto, R, Jennings, A.J, Michinom, M, Kuroita, T, Stamford, A, Gao, P, Meinke, P, Glickman, J.F, Patel, D.J, Tuschl, T. | 登録日 | 2018-09-22 | 公開日 | 2019-05-29 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | Development of human cGAS-specific small-molecule inhibitors for repression of dsDNA-triggered interferon expression. Nat Commun, 10, 2019
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1FEJ
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![BU of 1fej by Molmil](/molmil-images/mine/1fej) | STRUCTURAL IMPLICATIONS OF DRUG RESISTANT MUTANTS OF HIV-1 PROTEASE: HIGH RESOLUTION CRYSTAL STRUCTURES OF THE MUTANT PROTEASE/SUBSTRATE ANALOG COMPLEXES | 分子名称: | N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide, PROTEASE RETROPEPSIN | 著者 | Mahalingam, B, Louis, J.M, Harrison, R.W, Weber, I.T. | 登録日 | 2000-07-21 | 公開日 | 2001-06-01 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | 主引用文献 | Structural implications of drug-resistant mutants of HIV-1 protease: high-resolution crystal structures of the mutant protease/substrate analogue complexes. Proteins, 43, 2001
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6N9O
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![BU of 6n9o by Molmil](/molmil-images/mine/6n9o) | Crystal structure of human GSDMD | 分子名称: | Gasdermin-D | 著者 | Liu, Z, Wang, C, Yang, J, Xiao, T.S. | 登録日 | 2018-12-03 | 公開日 | 2019-06-05 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (3.5 Å) | 主引用文献 | Crystal Structures of the Full-Length Murine and Human Gasdermin D Reveal Mechanisms of Autoinhibition, Lipid Binding, and Oligomerization. Immunity, 51, 2019
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6N9N
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![BU of 6n9n by Molmil](/molmil-images/mine/6n9n) | Crystal structure of murine GSDMD | 分子名称: | Gasdermin-D | 著者 | Liu, Z, Wang, C, Yang, J, Xiao, T.S. | 登録日 | 2018-12-03 | 公開日 | 2019-06-05 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | 主引用文献 | Crystal Structures of the Full-Length Murine and Human Gasdermin D Reveal Mechanisms of Autoinhibition, Lipid Binding, and Oligomerization. Immunity, 51, 2019
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1FG6
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![BU of 1fg6 by Molmil](/molmil-images/mine/1fg6) | STRUCTURAL IMPLICATIONS OF DRUG RESISTANT MUTANTS OF HIV-1 PROTEASE: HIGH RESOLUTION CRYSTAL STRUCTURES OF THE MUTANT PROTEASE/SUBSTRATE ANALOG COMPLEXES | 分子名称: | N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide, PROTEASE RETROPEPSIN | 著者 | Mahalingam, B, Louis, J.M, Harrison, R.W, Weber, I.T. | 登録日 | 2000-07-25 | 公開日 | 2001-06-01 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Structural implications of drug-resistant mutants of HIV-1 protease: high-resolution crystal structures of the mutant protease/substrate analogue complexes. Proteins, 43, 2001
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2IEN
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![BU of 2ien by Molmil](/molmil-images/mine/2ien) | Crystal structure analysis of HIV-1 protease with a potent non-peptide inhibitor (UIC-94017) | 分子名称: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, ACETIC ACID, CHLORIDE ION, ... | 著者 | Tie, Y, Boross, P.I, Wang, Y.F, Gaddis, L, Manna, D, Hussain, A.K, Leshchenko, S, Ghosh, A.K, Louis, J.M, Harrison, R.W, Weber, I.T. | 登録日 | 2006-09-19 | 公開日 | 2006-10-03 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | High Resolution Crystal Structures of HIV-1 Protease with a Potent Non-Peptide Inhibitor (Uic-94017) Active Against Multi-Drug-Resistant Clinical Strains. J.Mol.Biol., 338, 2004
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3OOA
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![BU of 3ooa by Molmil](/molmil-images/mine/3ooa) | |
1FF0
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![BU of 1ff0 by Molmil](/molmil-images/mine/1ff0) | STRUCTURAL IMPLICATIONS OF DRUG RESISTANT MUTANTS OF HIV-1 PROTEASE: HIGH RESOLUTION CRYSTAL STRUCTURES OF THE MUTANT PROTEASE/SUBSTRATE ANALOG COMPLEXES. | 分子名称: | N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide, PROTEASE RETROPEPSIN | 著者 | Mahalingam, B, Louis, J.M, Harrison, R.W, Weber, I.T. | 登録日 | 2000-07-24 | 公開日 | 2001-06-01 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Structural implications of drug-resistant mutants of HIV-1 protease: high-resolution crystal structures of the mutant protease/substrate analogue complexes. Proteins, 43, 2001
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7KXS
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![BU of 7kxs by Molmil](/molmil-images/mine/7kxs) | Computational design of constitutively active cGAS | 分子名称: | Cyclic GMP-AMP synthase, ZINC ION | 著者 | Dowling, Q, Volkman, H.E, Gray, E.E, Ovchinnikov, S, Cambier, S, Bera, A.K, Bick, M, Kang, A, Stetson, D.B, King, N.P. | 登録日 | 2020-12-04 | 公開日 | 2021-12-08 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Computational design of constitutively active cGAS. Nat.Struct.Mol.Biol., 30, 2023
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3OO7
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![BU of 3oo7 by Molmil](/molmil-images/mine/3oo7) | |
7LOS
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![BU of 7los by Molmil](/molmil-images/mine/7los) | SARS-CoV-2 papain-like protease (PLpro) bound to inhibitor XR8-65 | 分子名称: | 5-(azetidin-3-ylamino)-2-methyl-~{N}-[(1~{R})-1-[3-[5-[[[(3~{R})-oxolan-3-yl]amino]methyl]thiophen-2-yl]phenyl]ethyl]benzamide, CHLORIDE ION, Non-structural protein 3, ... | 著者 | Ratia, K.M, Xiong, R, Thatcher, G.R. | 登録日 | 2021-02-10 | 公開日 | 2021-02-24 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Potent, Novel SARS-CoV-2 PLpro Inhibitors Block Viral Replication in Monkey and Human Cell Cultures. Biorxiv, 2021
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7LLF
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![BU of 7llf by Molmil](/molmil-images/mine/7llf) | SARS-CoV-2 papain-like protease (PLpro) bound to inhibitor XR8-83 | 分子名称: | 5-[(azetidin-3-yl)amino]-N-[(1R)-1-{3-[5-({[(1R,3S)-3-hydroxycyclopentyl]amino}methyl)thiophen-2-yl]phenyl}ethyl]-2-methylbenzamide, BORIC ACID, GLYCEROL, ... | 著者 | Ratia, K.M, Xiong, R, Thatcher, G.R. | 登録日 | 2021-02-03 | 公開日 | 2021-02-24 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Potent, Novel SARS-CoV-2 PLpro Inhibitors Block Viral Replication in Monkey and Human Cell Cultures. Biorxiv, 2021
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7LLZ
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![BU of 7llz by Molmil](/molmil-images/mine/7llz) | SARS-CoV-2 papain-like protease (PLpro) bound to inhibitor XR8-69 | 分子名称: | N-[(1R)-1-(3-{5-[(acetylamino)methyl]thiophen-2-yl}phenyl)ethyl]-5-[(azetidin-3-yl)amino]-2-methylbenzamide, Non-structural protein 3, SULFATE ION, ... | 著者 | Ratia, K.M, Xiong, R, Thatcher, G.R. | 登録日 | 2021-02-04 | 公開日 | 2021-02-24 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Potent, Novel SARS-CoV-2 PLpro Inhibitors Block Viral Replication in Monkey and Human Cell Cultures. Biorxiv, 2021
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7LBR
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![BU of 7lbr by Molmil](/molmil-images/mine/7lbr) | SARS-CoV-2 papain-like protease (PLpro) bound to inhibitor XR8-89 | 分子名称: | 5-[(azetidin-3-yl)amino]-N-[(1R)-1-{3-[5-({[(1S,3R)-3-hydroxycyclopentyl]amino}methyl)thiophen-2-yl]phenyl}ethyl]-2-methylbenzamide, GLYCEROL, Non-structural protein 3, ... | 著者 | Ratia, K.M, Xiong, R, Thatcher, G.R. | 登録日 | 2021-01-08 | 公開日 | 2021-02-24 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Potent, Novel SARS-CoV-2 PLpro Inhibitors Block Viral Replication in Monkey and Human Cell Cultures. Biorxiv, 2021
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7LBS
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![BU of 7lbs by Molmil](/molmil-images/mine/7lbs) | SARS-CoV-2 papain-like protease (PLpro) bound to inhibitor XR8-24 | 分子名称: | 5-[(azetidin-3-yl)amino]-2-methyl-N-[(1R)-1-(3-{5-[(pyrrolidin-1-yl)methyl]thiophen-2-yl}phenyl)ethyl]benzamide, BORIC ACID, GLYCEROL, ... | 著者 | Ratia, K.M, Xiong, R, Thatcher, G.R. | 登録日 | 2021-01-08 | 公開日 | 2021-02-24 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Potent, Novel SARS-CoV-2 PLpro Inhibitors Block Viral Replication in Monkey and Human Cell Cultures. Biorxiv, 2021
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1U8V
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![BU of 1u8v by Molmil](/molmil-images/mine/1u8v) | Crystal Structure of 4-Hydroxybutyryl-CoA Dehydratase from Clostridium aminobutyricum: Radical catalysis involving a [4Fe-4S] cluster and flavin | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, Gamma-aminobutyrate metabolism dehydratase/isomerase, IRON/SULFUR CLUSTER | 著者 | Martins, B.M, Dobbek, H, Cinkaya, I, Buckel, W, Messerschmidt, A. | 登録日 | 2004-08-07 | 公開日 | 2004-12-21 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Crystal structure of 4-hydroxybutyryl-CoA dehydratase: radical catalysis involving a [4Fe-4S] cluster and flavin. Proc.Natl.Acad.Sci.USA, 101, 2004
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3R3D
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![BU of 3r3d by Molmil](/molmil-images/mine/3r3d) | Crystal structure of Arthrobacter sp. strain SU 4-hydroxybenzoyl CoA thioesterase mutant T77S complexed with 4-hydroxyphenacyl CoA | 分子名称: | 4-HYDROXYPHENACYL COENZYME A, 4-hydroxybenzoyl-CoA thioesterase | 著者 | Holden, H.M, Thoden, J.B, Song, F, Zhuang, Z, Trujillo, M, Dunaway-Mariano, D. | 登録日 | 2011-03-15 | 公開日 | 2012-03-28 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | The Catalytic Mechanism of the Hotdog-fold Enzyme Superfamily 4-Hydroxybenzoyl-CoA Thioesterase from Arthrobacter sp. Strain SU. Biochemistry, 51, 2012
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3R36
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![BU of 3r36 by Molmil](/molmil-images/mine/3r36) | Crystal structure of Arthrobacter sp. strain SU 4-hydroxybenzoyl CoA thioesterase mutant E73Q complexed with 4-hydroxybenzoic acid | 分子名称: | 4-hydroxybenzoyl-CoA thioesterase, P-HYDROXYBENZOIC ACID | 著者 | Holden, H.M, Thoden, J.B, Song, F, Zhuang, Z, Trujillo, M, Dunaway-Mariano, D. | 登録日 | 2011-03-15 | 公開日 | 2012-03-28 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | The Catalytic Mechanism of the Hotdog-fold Enzyme Superfamily 4-Hydroxybenzoyl-CoA Thioesterase from Arthrobacter sp. Strain SU. Biochemistry, 51, 2012
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7JO9
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![BU of 7jo9 by Molmil](/molmil-images/mine/7jo9) | 1:1 cGAS-nucleosome complex | 分子名称: | Cyclic GMP-AMP synthase, DNA (145-MER), Histone H2A type 1, ... | 著者 | Boyer, J.A, Spangler, C.J, Strauss, J.D, Cesmat, A.P, Liu, P, McGinty, R.K, Zhang, Q. | 登録日 | 2020-08-06 | 公開日 | 2020-09-16 | 最終更新日 | 2024-03-06 | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | 主引用文献 | Structural basis of nucleosome-dependent cGAS inhibition. Science, 370, 2020
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