1S8C
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![BU of 1s8c by Molmil](/molmil-images/mine/1s8c) | Crystal structure of human heme oxygenase in a complex with biliverdine | Descriptor: | BILIVERDINE IX ALPHA, Heme oxygenase 1 | Authors: | Lad, L, Friedman, J, Li, H, Bhaskar, B, Ortiz de Montellano, P.R, Poulos, T.L. | Deposit date: | 2004-02-02 | Release date: | 2004-08-03 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Crystal Structure of Human Heme Oxygenase-1 in a Complex with Biliverdin Biochemistry, 43, 2004
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6AYG
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![BU of 6ayg by Molmil](/molmil-images/mine/6ayg) | Human Apo-TRPML3 channel at pH 4.8 | Descriptor: | Mucolipin-3 | Authors: | Zhou, X, Li, M, Su, D, Jia, Q, Li, H, Li, X, Yang, J. | Deposit date: | 2017-09-08 | Release date: | 2017-11-08 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (4.65 Å) | Cite: | Cryo-EM structures of the human endolysosomal TRPML3 channel in three distinct states. Nat. Struct. Mol. Biol., 24, 2017
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6AYE
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![BU of 6aye by Molmil](/molmil-images/mine/6aye) | Human apo-TRPML3 channel at pH 7.4 | Descriptor: | Mucolipin-3 | Authors: | Zhou, X, Li, M, Su, D, Jia, Q, Li, H, Li, X, Yang, J. | Deposit date: | 2017-09-08 | Release date: | 2017-11-08 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (4.06 Å) | Cite: | Cryo-EM structures of the human endolysosomal TRPML3 channel in three distinct states. Nat. Struct. Mol. Biol., 24, 2017
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3DQR
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![BU of 3dqr by Molmil](/molmil-images/mine/3dqr) | Structure of neuronal NOS D597N/M336V mutant heme domain in complex with a inhibitor (+-)-N1-{cis-4'-[(6"-aminopyridin-2"-yl)methyl]pyrrolidin-3'-yl}ethane-1,2-diamine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, N-{(3S,4S)-4-[(6-aminopyridin-2-yl)methyl]pyrrolidin-3-yl}ethane-1,2-diamine, ... | Authors: | Igarashi, J, Li, H, Poulos, T.L. | Deposit date: | 2008-07-09 | Release date: | 2009-03-31 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structures of constitutive nitric oxide synthases in complex with de novo designed inhibitors. J.Med.Chem., 52, 2009
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6WB9
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![BU of 6wb9 by Molmil](/molmil-images/mine/6wb9) | Structure of the S. cerevisiae ER membrane complex | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, ER membrane protein complex subunit 1, ... | Authors: | Bai, L, Li, H. | Deposit date: | 2020-03-26 | Release date: | 2020-06-03 | Last modified: | 2020-09-02 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structure of the ER membrane complex, a transmembrane-domain insertase. Nature, 584, 2020
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2NSE
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![BU of 2nse by Molmil](/molmil-images/mine/2nse) | BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE SUBSTRATE COMPLEX | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ARGININE, CACODYLATE ION, ... | Authors: | Raman, C.S, Li, H, Martasek, P, Kral, V, Masters, B.S.S, Poulos, T.L. | Deposit date: | 1998-08-13 | Release date: | 1999-05-25 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Crystal structure of constitutive endothelial nitric oxide synthase: a paradigm for pterin function involving a novel metal center. Cell(Cambridge,Mass.), 95, 1998
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5XVF
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![BU of 5xvf by Molmil](/molmil-images/mine/5xvf) | Crystal Structure of PAK4 in complex with inhibitor CZH062 | Descriptor: | 2-(4-azanylpiperidin-1-yl)-6-chloranyl-N-(1-methylimidazol-4-yl)quinazolin-4-amine, Serine/threonine-protein kinase PAK 4 | Authors: | Zhao, F, Li, H. | Deposit date: | 2017-06-27 | Release date: | 2018-02-07 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.655 Å) | Cite: | Structure-Based Design of 6-Chloro-4-aminoquinazoline-2-carboxamide Derivatives as Potent and Selective p21-Activated Kinase 4 (PAK4) Inhibitors. J. Med. Chem., 61, 2018
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8GI9
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![BU of 8gi9 by Molmil](/molmil-images/mine/8gi9) | Cation channelrhodopsin from Hyphochytrium catenoides (HcCCR) embedded in peptidisc | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, CHOLESTEROL, Cation Channelrhodopsin, ... | Authors: | Morizumi, T, Kim, K, Li, H, Spudich, J.L, Ernst, O.P. | Deposit date: | 2023-03-13 | Release date: | 2023-07-26 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (2.84 Å) | Cite: | Structures of channelrhodopsin paralogs in peptidiscs explain their contrasting K + and Na + selectivities. Nat Commun, 14, 2023
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8GI8
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![BU of 8gi8 by Molmil](/molmil-images/mine/8gi8) | Kalium channelrhodopsin 1 from Hyphochytrium catenoides (HcKCR1) embedded in peptidisc | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, CHOLESTEROL, Kalium Channelrhodopsin 1, ... | Authors: | Morizumi, T, Kim, K, Li, H, Spudich, J.L, Ernst, O.P. | Deposit date: | 2023-03-13 | Release date: | 2023-07-26 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (2.88 Å) | Cite: | Structures of channelrhodopsin paralogs in peptidiscs explain their contrasting K + and Na + selectivities. Nat Commun, 14, 2023
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5JSG
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![BU of 5jsg by Molmil](/molmil-images/mine/5jsg) | Crystal structure of Spindlin1 bound to compound EML405 | Descriptor: | CHLORIDE ION, MAGNESIUM ION, Spindlin-1, ... | Authors: | Su, X, Li, H. | Deposit date: | 2016-05-08 | Release date: | 2017-05-10 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Developing Spindlin1 small-molecule inhibitors by using protein microarrays Nat. Chem. Biol., 13, 2017
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2OIW
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![BU of 2oiw by Molmil](/molmil-images/mine/2oiw) | The structure of a predicted thioesterase from Bacillus stearothermophilus | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, putative 4-hydroxybenzoyl-CoA thioesterase | Authors: | Cuff, M.E, Li, H, Moy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2007-01-11 | Release date: | 2007-02-20 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The structure of a predicted thioesterase from Bacillus stearothermophilus TO BE PUBLISHED
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7E74
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![BU of 7e74 by Molmil](/molmil-images/mine/7e74) | |
3N69
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![BU of 3n69 by Molmil](/molmil-images/mine/3n69) | Structure of endothelial nitric oxide synthase N368D/V106M double mutant heme domain complexed with 6,6'-(2,2'-(pyridine-3,5-diyl)bis(ethane-2,1-diyl))bis(4-methylpyridin-2-amine) | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6,6'-(pyridine-3,5-diyldiethane-2,1-diyl)bis(4-methylpyridin-2-amine), ACETATE ION, ... | Authors: | Delker, S.L, Li, H, Poulos, T.L. | Deposit date: | 2010-05-25 | Release date: | 2011-02-09 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Role of zinc in isoform-selective inhibitor binding to neuronal nitric oxide synthase . Biochemistry, 49, 2010
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3N5P
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![BU of 3n5p by Molmil](/molmil-images/mine/3n5p) | Structure of endothelial nitric oxide synthase heme domain complexed with 4-(2-(6-(2-(6-amino-4-methylpyridin-2-yl)ethyl)pyridin-2-yl)ethyl)-6-methylpyridin-2-amine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-(2-{6-[2-(2-amino-6-methylpyridin-4-yl)ethyl]pyridin-2-yl}ethyl)-4-methylpyridin-2-amine, ACETATE ION, ... | Authors: | Delker, S.L, Li, H, Poulos, T.L. | Deposit date: | 2010-05-25 | Release date: | 2011-02-09 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Role of zinc in isoform-selective inhibitor binding to neuronal nitric oxide synthase . Biochemistry, 49, 2010
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2P0N
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![BU of 2p0n by Molmil](/molmil-images/mine/2p0n) | NMB1532 protein from Neisseria meningitidis, unknown function | Descriptor: | BETA-MERCAPTOETHANOL, CHLORIDE ION, GLYCEROL, ... | Authors: | Osipiuk, J, Li, H, Bargassa, M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2007-02-28 | Release date: | 2007-03-27 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.41 Å) | Cite: | X-ray crystal structure of NMB1532 protein of unknown function from Neisseria meningitidis. To be Published
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3N5R
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![BU of 3n5r by Molmil](/molmil-images/mine/3n5r) | Structure of endothelial nitric oxide synthase heme domain complexed with 4-(3-(2-(6-amino-4-methylpyridin-2-yl)ethyl)phenethyl)-6-methylpyridin-2-amine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-(2-{3-[2-(2-amino-6-methylpyridin-4-yl)ethyl]phenyl}ethyl)-4-methylpyridin-2-amine, ACETATE ION, ... | Authors: | Delker, S.L, Li, H, Poulos, T.L. | Deposit date: | 2010-05-25 | Release date: | 2011-02-09 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | Role of zinc in isoform-selective inhibitor binding to neuronal nitric oxide synthase . Biochemistry, 49, 2010
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3N6E
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![BU of 3n6e by Molmil](/molmil-images/mine/3n6e) | Structure of endothelial nitric oxide synthase N368D mutant heme domain complexed with 6,6'-(2,2'-(5-amino-1,3-phenylene)bis(ethane-2,1-diyl))bis(4-methylpyridin-2-amine) | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6,6'-[(5-aminobenzene-1,3-diyl)diethane-2,1-diyl]bis(4-methylpyridin-2-amine), ACETATE ION, ... | Authors: | Delker, S.L, Li, H, Poulos, T.L. | Deposit date: | 2010-05-25 | Release date: | 2011-02-09 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Role of zinc in isoform-selective inhibitor binding to neuronal nitric oxide synthase . Biochemistry, 49, 2010
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3N6G
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![BU of 3n6g by Molmil](/molmil-images/mine/3n6g) | Structure of endothelial nitric oxide synthase N368D single mutant heme domain complexed with 4-(2-(5-(2-(6-amino-4-methylpyridin-2-yl)ethyl)pyridin-3-yl)ethyl)-6-methylpyridin-2-amine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-(2-{5-[2-(2-amino-6-methylpyridin-4-yl)ethyl]pyridin-3-yl}ethyl)-4-methylpyridin-2-amine, ACETATE ION, ... | Authors: | Delker, S.L, Li, H, Poulos, T.L. | Deposit date: | 2010-05-25 | Release date: | 2011-02-09 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Role of zinc in isoform-selective inhibitor binding to neuronal nitric oxide synthase . Biochemistry, 49, 2010
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3DQT
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![BU of 3dqt by Molmil](/molmil-images/mine/3dqt) | Structure of endothelial NOS heme domain in complex with a inhibitor (+-)-N1-{trans-4'-[(6"-amino-4"-methylpyridin-2"-yl)methyl]pyrrolidin-3'-yl}-N2-(3'-chlorobenzyl)ethane-1,2-diamine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, CACODYLATE ION, ... | Authors: | Igarashi, J, Li, H, Poulos, T.L. | Deposit date: | 2008-07-09 | Release date: | 2009-03-31 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.54 Å) | Cite: | Crystal structures of constitutive nitric oxide synthases in complex with de novo designed inhibitors. J.Med.Chem., 52, 2009
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8V2F
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![BU of 8v2f by Molmil](/molmil-images/mine/8v2f) | Crystal structure of IRAK4 kinase domain with compound 9 | Descriptor: | CHLORIDE ION, GLYCEROL, Interleukin-1 receptor-associated kinase 4, ... | Authors: | Weiss, M.M, Zheng, X, Browne, C.M, Campbell, V, Chen, D, Enerson, B, Fei, X, Huang, X, Klaus, C.R, Li, H, Mayo, M, McDonald, A.A, Paul, A, Sharma, K, Shi, Y, Slavin, A, Walter, D.M, Yuan, K, Zhang, Y, Zhu, X, Kelleher, J, Ji, N, Walker, D, Mainolfi, N. | Deposit date: | 2023-11-22 | Release date: | 2024-07-03 | Last modified: | 2024-07-24 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Discovery of KT-413, a Targeted Protein Degrader of IRAK4 and IMiD Substrates Targeting MYD88 Mutant Diffuse Large B-Cell Lymphoma. J.Med.Chem., 67, 2024
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5JSJ
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![BU of 5jsj by Molmil](/molmil-images/mine/5jsj) | Crystal structure of Spindlin1 bound to compound EML631 | Descriptor: | CHLORIDE ION, MAGNESIUM ION, Spindlin-1, ... | Authors: | Su, X, Li, H. | Deposit date: | 2016-05-08 | Release date: | 2017-05-24 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.348 Å) | Cite: | Developing Spindlin1 small-molecule inhibitors by using protein microarrays Nat. Chem. Biol., 13, 2017
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8V1O
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![BU of 8v1o by Molmil](/molmil-images/mine/8v1o) | Crystal structure of IRAK4 kinase domain with compound 4 | Descriptor: | CHLORIDE ION, GLYCEROL, Interleukin-1 receptor-associated kinase 4, ... | Authors: | Weiss, M.M, Zheng, X, Browne, C.M, Campbell, V, Chen, D, Enerson, B, Fei, X, Huang, X, Klaus, C.R, Li, H, Mayo, M, McDonald, A.A, Paul, A, Sharma, K, Shi, Y, Slavin, A, Walter, D.M, Yuan, K, Zhang, Y, Zhu, X, Kelleher, J, Ji, N, Walker, D, Mainolfi, N. | Deposit date: | 2023-11-21 | Release date: | 2024-07-03 | Last modified: | 2024-07-24 | Method: | X-RAY DIFFRACTION (2.92 Å) | Cite: | Discovery of KT-413, a Targeted Protein Degrader of IRAK4 and IMiD Substrates Targeting MYD88 Mutant Diffuse Large B-Cell Lymphoma. J.Med.Chem., 67, 2024
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8V2L
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![BU of 8v2l by Molmil](/molmil-images/mine/8v2l) | Crystal structure of IRAK4 kinase domain with compound 8 | Descriptor: | 1,2-ETHANEDIOL, Interleukin-1 receptor-associated kinase 4, N-{2-[4-(hydroxymethyl)phenyl]-6-(2-hydroxypropan-2-yl)-2H-indazol-5-yl}-6-(trifluoromethyl)pyridine-2-carboxamide | Authors: | Weiss, M.M, Zheng, X, Browne, C.M, Campbell, V, Chen, D, Enerson, B, Fei, X, Huang, X, Klaus, C.R, Li, H, Mayo, M, McDonald, A.A, Paul, A, Sharma, K, Shi, Y, Slavin, A, Walter, D.M, Yuan, K, Zhang, Y, Zhu, X, Kelleher, J, Ji, N, Walker, D, Mainolfi, N. | Deposit date: | 2023-11-22 | Release date: | 2024-07-03 | Last modified: | 2024-07-24 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Discovery of KT-413, a Targeted Protein Degrader of IRAK4 and IMiD Substrates Targeting MYD88 Mutant Diffuse Large B-Cell Lymphoma. J.Med.Chem., 67, 2024
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3N6B
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![BU of 3n6b by Molmil](/molmil-images/mine/3n6b) | Structure of endothelial nitric oxide synthase H373S single mutant heme domain complexed with 6,6'-(2,2'-(pyridine-3,5-diyl)bis(ethane-2,1-diyl))bis(4-methylpyridin-2-amine) | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6,6'-(pyridine-3,5-diyldiethane-2,1-diyl)bis(4-methylpyridin-2-amine), CACODYLIC ACID, ... | Authors: | Delker, S.L, Li, H, Poulos, T.L. | Deposit date: | 2010-05-25 | Release date: | 2011-02-09 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Role of zinc in isoform-selective inhibitor binding to neuronal nitric oxide synthase . Biochemistry, 49, 2010
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3N5T
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![BU of 3n5t by Molmil](/molmil-images/mine/3n5t) | Structure of endothelial nitric oxide synthase heme domain complexed with 6,6'-(2,2'-(pyridine-3,5-diyl)bis(ethane-2,1-diyl))bis(4-methylpyridin-2-amine) | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6,6'-(pyridine-3,5-diyldiethane-2,1-diyl)bis(4-methylpyridin-2-amine), ACETATE ION, ... | Authors: | Delker, S.L, Li, H, Poulos, T.L. | Deposit date: | 2010-05-25 | Release date: | 2011-02-09 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.52 Å) | Cite: | Role of zinc in isoform-selective inhibitor binding to neuronal nitric oxide synthase . Biochemistry, 49, 2010
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