5KZQ
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![BU of 5kzq by Molmil](/molmil-images/mine/5kzq) | Metabotropic Glutamate Receptor in complex with antagonist (1~{S},2~{R},3~{S},4~{S},5~{R},6~{R})-2-azanyl-3-[[3,4-bis(fluoranyl)phenyl]sulfanylmethyl]-4-oxidanyl-bicyclo[3.1.0]hexane-2,6-dicarboxylic acid | Descriptor: | (1~{S},2~{R},3~{S},4~{S},5~{R},6~{R})-2-azanyl-3-[[3,4-bis(fluoranyl)phenyl]sulfanylmethyl]-4-oxidanyl-bicyclo[3.1.0]hexane-2,6-dicarboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, Metabotropic glutamate receptor 2 | Authors: | Chappell, M.D, Li, R, Smith, S.C, Dressman, B.A, Tromiczak, E.G, Tripp, A.E, Blanco, M.-J, Vetman, T, Quimby, S.J, Matt, J, Britton, T, Fivush, A.M, Schkeryantz, J.M, Mayhugh, D, Erickson, J.A, Bures, M, Jaramillo, C, Carpintero, M, de Diego, J.E, Barberis, M, Garcia-Cerrada, S, Soriano, J.F, Antonysamy, S, Atwell, S, MacEwan, I, Condon, B, Bradley, C, Wang, J, Zhang, A, Conners, K, Groshong, C, Wasserman, S.R, Koss, J.W, Witkin, J.M, Li, X, Overshiner, C, Wafford, K.A, Seidel, W, Wang, X.-S, Heinz, B.A, Swanson, S, Catlow, J, Bedwell, D, Monn, J.A, Mitch, C.H, Ornstein, P. | Deposit date: | 2016-07-25 | Release date: | 2016-12-28 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Discovery of (1S,2R,3S,4S,5R,6R)-2-Amino-3-[(3,4-difluorophenyl)sulfanylmethyl]-4-hydroxy-bicyclo[3.1.0]hexane-2,6-dicarboxylic Acid Hydrochloride (LY3020371HCl): A Potent, Metabotropic Glutamate 2/3 Receptor Antagonist with Antidepressant-Like Activity. J. Med. Chem., 59, 2016
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5KZN
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![BU of 5kzn by Molmil](/molmil-images/mine/5kzn) | Metabotropic Glutamate Receptor | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, MAGNESIUM ION, Metabotropic glutamate receptor 2 | Authors: | Chappell, M.D, Li, R, Smith, S.C, Dressman, B.A, Tromiczak, E.G, Tripp, A.E, Blanco, M.-J, Vetman, T, Quimby, S.J, Matt, J, Britton, T, Fivush, A.M, Schkeryantz, J.M, Mayhugh, D, Erickson, J.A, Bures, M, Jaramillo, C, Carpintero, M, de Diego, J.E, Barberis, M, Garcia-Cerrada, S, Soriano, J.F, Antonysamy, S, Atwell, S, MacEwan, I, Condon, B, Bradley, C, Wang, J, Zhang, A, Conners, K, Groshong, C, Wasserman, S.R, Koss, J.W, Witkin, J.M, Li, X, Overshiner, C, Wafford, K.A, Seidel, W, Wang, X.-S, Heinz, B.A, Swanson, S, Catlow, J, Bedwell, D, Monn, J.A, Mitch, C.H, Ornstein, P. | Deposit date: | 2016-07-25 | Release date: | 2016-12-28 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Discovery of (1S,2R,3S,4S,5R,6R)-2-Amino-3-[(3,4-difluorophenyl)sulfanylmethyl]-4-hydroxy-bicyclo[3.1.0]hexane-2,6-dicarboxylic Acid Hydrochloride (LY3020371HCl): A Potent, Metabotropic Glutamate 2/3 Receptor Antagonist with Antidepressant-Like Activity. J. Med. Chem., 59, 2016
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1KS5
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![BU of 1ks5 by Molmil](/molmil-images/mine/1ks5) | Structure of Aspergillus niger endoglucanase | Descriptor: | Endoglucanase A | Authors: | Khademi, S, Zhang, D, Swanson, S.M, Wartenberg, A, Witte, C, Meyer, E.F. | Deposit date: | 2002-01-10 | Release date: | 2003-01-21 | Last modified: | 2017-02-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Determination of the structure of an endoglucanase from Aspergillus niger and its mode of inhibition by palladium chloride. Acta Crystallogr.,Sect.D, 58, 2002
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1KS4
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![BU of 1ks4 by Molmil](/molmil-images/mine/1ks4) | The structure of Aspergillus niger endoglucanase-palladium complex | Descriptor: | Endoglucanase A, PALLADIUM ION | Authors: | Khademi, S, Zhang, D, Swanson, S.M, Wartenberg, A, Witte, C, Meyer, E.F. | Deposit date: | 2002-01-10 | Release date: | 2003-01-21 | Last modified: | 2017-02-01 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Determination of the structure of an endoglucanase from Aspergillus niger and its mode of inhibition by palladium chloride. Acta Crystallogr.,Sect.D, 58, 2002
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1U68
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![BU of 1u68 by Molmil](/molmil-images/mine/1u68) | DHNA 7,8 DIHYDRONEOPTERIN COMPLEX | Descriptor: | 2-AMINO-7,8-DIHYDRO-6-(1,2,3-TRIHYDROXYPROPYL)-4(1H)-PTERIDINONE, Dihydroneopterin aldolase | Authors: | Sanders, W.J, Nienaber, V.L, Lerner, C.G, McCall, J.O, Merrick, S.M, Swanson, S.J, Harlan, J.E, Stoll, V.S, Stamper, G.F, Betz, S.F, Condroski, K.R, Meadows, R.P, Severin, J.M, Walter, K.A, Magdalinos, P, Jakob, C.G, Wagner, R, Beutel, B.A. | Deposit date: | 2004-07-29 | Release date: | 2004-10-19 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Discovery of potent inhibitors of dihydroneopterin aldolase using CrystaLEAD high-throughput X-ray crystallographic screening and structure-directed lead optimization. J.MED.CHEM., 47, 2004
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1U7H
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![BU of 1u7h by Molmil](/molmil-images/mine/1u7h) | Structure and a Proposed Mechanism for Ornithine Cyclodeaminase from Pseudomonas putida | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SODIUM ION, ... | Authors: | Alam, S, Goodman, J.L, Wang, S, Ruzicka, F.J, Frey, P.A, Wedekind, J.E. | Deposit date: | 2004-08-03 | Release date: | 2004-11-09 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Ornithine Cyclodeaminase: Structure, Mechanism of Action, and Implications for
the u-Crystallin Family; Biochemistry, 43, 2004
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6EEE
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![BU of 6eee by Molmil](/molmil-images/mine/6eee) | X-ray crystal structure of Pf-M17 in complex with inhibitor (6k) and regulatory zinc ion | Descriptor: | (1R,2r,3S,5R,7R)-N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]tricyclo[3.3.1.1~3,7~]decane-2-carboxamide, 1,2-ETHANEDIOL, CARBONATE ION, ... | Authors: | Drinkwater, N, McGowan, S. | Deposit date: | 2018-08-13 | Release date: | 2018-12-26 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Hydroxamic Acid Inhibitors Provide Cross-Species Inhibition of Plasmodium M1 and M17 Aminopeptidases. J. Med. Chem., 62, 2019
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7YS6
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![BU of 7ys6 by Molmil](/molmil-images/mine/7ys6) | Cryo-EM structure of the Serotonin 6 (5-HT6) receptor-DNGs-scFv16 complex | Descriptor: | 5-hydroxytryptamine receptor 6, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | Authors: | Zhao, Q.Y, Wang, Y.F, He, L, Wang, S, Cong, Y. | Deposit date: | 2022-08-11 | Release date: | 2023-03-29 | Last modified: | 2023-10-11 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structural insights into constitutive activity of 5-HT 6 receptor. Proc.Natl.Acad.Sci.USA, 120, 2023
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6EE3
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![BU of 6ee3 by Molmil](/molmil-images/mine/6ee3) | X-ray crystal structure of Pf-M1 in complex with inhibitor (6k) and catalytic zinc ion | Descriptor: | (1R,2r,3S,5R,7R)-N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]tricyclo[3.3.1.1~3,7~]decane-2-carboxamide, GLYCEROL, M1 family aminopeptidase, ... | Authors: | Drinkwater, N, McGowan, S. | Deposit date: | 2018-08-13 | Release date: | 2018-12-26 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Hydroxamic Acid Inhibitors Provide Cross-Species Inhibition of Plasmodium M1 and M17 Aminopeptidases. J. Med. Chem., 62, 2019
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6EED
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![BU of 6eed by Molmil](/molmil-images/mine/6eed) | X-ray crystal structure of Pf-M1 in complex with inhibitor (6p) and catalytic zinc ion | Descriptor: | (2R)-2-[(cyclohexylacetyl)amino]-N-hydroxy-2-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)acetamide, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Drinkwater, N, McGowan, S. | Deposit date: | 2018-08-13 | Release date: | 2018-12-26 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Hydroxamic Acid Inhibitors Provide Cross-Species Inhibition of Plasmodium M1 and M17 Aminopeptidases. J. Med. Chem., 62, 2019
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6EA2
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![BU of 6ea2 by Molmil](/molmil-images/mine/6ea2) | |
6EAB
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![BU of 6eab by Molmil](/molmil-images/mine/6eab) | |
6EAA
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![BU of 6eaa by Molmil](/molmil-images/mine/6eaa) | |
6EA1
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![BU of 6ea1 by Molmil](/molmil-images/mine/6ea1) | X-ray crystal structure of Pf-M1 in complex with inhibitor (6da) and catalytic zinc ion | Descriptor: | (2R)-2,3,3,3-tetrafluoro-N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]propanamide, GLYCEROL, M1 family aminopeptidase, ... | Authors: | Drinkwater, N, McGowan, S. | Deposit date: | 2018-08-02 | Release date: | 2018-12-26 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.815 Å) | Cite: | Hydroxamic Acid Inhibitors Provide Cross-Species Inhibition of Plasmodium M1 and M17 Aminopeptidases. J. Med. Chem., 62, 2019
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6EE4
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![BU of 6ee4 by Molmil](/molmil-images/mine/6ee4) | X-ray crystal structure of Pf-M1 in complex with inhibitor (6m) and catalytic zinc ion | Descriptor: | (2R)-2-[(cyclopropylacetyl)amino]-N-hydroxy-2-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)acetamide, GLYCEROL, M1 family aminopeptidase, ... | Authors: | Drinkwater, N, McGowan, S. | Deposit date: | 2018-08-13 | Release date: | 2018-12-26 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Hydroxamic Acid Inhibitors Provide Cross-Species Inhibition of Plasmodium M1 and M17 Aminopeptidases. J. Med. Chem., 62, 2019
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7N3O
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![BU of 7n3o by Molmil](/molmil-images/mine/7n3o) | Cryo-EM structure of the Cas12k-sgRNA complex | Descriptor: | Cas12k, Single guide RNA | Authors: | Chang, L, Li, Z, Xiao, R, Wang, S, Han, R. | Deposit date: | 2021-06-01 | Release date: | 2021-09-01 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Structural basis of target DNA recognition by CRISPR-Cas12k for RNA-guided DNA transposition. Mol.Cell, 81, 2021
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7N3P
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![BU of 7n3p by Molmil](/molmil-images/mine/7n3p) | Cryo-EM structure of the Cas12k-sgRNA-dsDNA complex | Descriptor: | Cas12k, DNA (5'-D(*CP*AP*TP*GP*AP*CP*TP*TP*CP*TP*CP*AP*AP*CP*CP*GP*AP*GP*TP*TP*T)-3'), DNA (5'-D(P*AP*AP*AP*CP*TP*CP*GP*GP*TP*T)-3'), ... | Authors: | Chang, L, Li, Z, Xiao, R, Wang, S, Han, R. | Deposit date: | 2021-06-01 | Release date: | 2021-09-01 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.65 Å) | Cite: | Structural basis of target DNA recognition by CRISPR-Cas12k for RNA-guided DNA transposition. Mol.Cell, 81, 2021
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8TQO
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![BU of 8tqo by Molmil](/molmil-images/mine/8tqo) | Eukaryotic translation initiation factor 2B tetramer | Descriptor: | Translation initiation factor eIF-2B subunit beta, Translation initiation factor eIF-2B subunit delta, Translation initiation factor eIF-2B subunit epsilon, ... | Authors: | Wang, L, Lawrence, R, Sangwan, S, Anand, A, Shoemaker, S, Deal, A, Marqusee, S, Watler, P. | Deposit date: | 2023-08-08 | Release date: | 2023-12-06 | Last modified: | 2024-04-10 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | A helical fulcrum in eIF2B coordinates allosteric regulation of stress signaling. Nat.Chem.Biol., 20, 2024
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8TQZ
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![BU of 8tqz by Molmil](/molmil-images/mine/8tqz) | Eukaryotic translation initiation factor 2B with a mutation (L516A) in the delta subunit | Descriptor: | Translation initiation factor eIF-2B subunit alpha, Translation initiation factor eIF-2B subunit beta, Translation initiation factor eIF-2B subunit delta, ... | Authors: | Wang, L, Lawrence, R, Sangwan, S, Anand, A, Shoemaker, S, Deal, A, Marqusee, S, Watler, P. | Deposit date: | 2023-08-08 | Release date: | 2023-12-06 | Last modified: | 2024-04-10 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | A helical fulcrum in eIF2B coordinates allosteric regulation of stress signaling. Nat.Chem.Biol., 20, 2024
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3X0X
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![BU of 3x0x by Molmil](/molmil-images/mine/3x0x) | Crystal structure of apo-DszC from Rhodococcus erythropolis D-1 | Descriptor: | DszC | Authors: | Guan, L.J, Lee, W.C, Wang, S.P, Ohtsuka, J, Tanokura, M. | Deposit date: | 2014-10-23 | Release date: | 2015-02-25 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Crystal structures of apo-DszC and FMN-bound DszC from Rhodococcus erythropolis D-1. Febs J., 282, 2015
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4WKN
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![BU of 4wkn by Molmil](/molmil-images/mine/4wkn) | Crystal structure of Helicobacter pylori 5'-methylthioadenosine/S-adenosyl homocysteine nucleosidase (MTAN) complexed with methylthio-DADMe-Immucillin-A | Descriptor: | (3R,4S)-1-[(4-AMINO-5H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)METHYL]-4-[(METHYLSULFANYL)METHYL]PYRROLIDIN-3-OL, Aminodeoxyfutalosine nucleosidase | Authors: | Cameron, S.A, Wang, S, Almo, S.C, Schramm, V.L. | Deposit date: | 2014-10-02 | Release date: | 2015-11-25 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | New Antibiotic Candidates against Helicobacter pylori. J.Am.Chem.Soc., 137, 2015
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4WKO
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![BU of 4wko by Molmil](/molmil-images/mine/4wko) | Crystal structure of Helicobacter pylori 5'-methylthioadenosine/S-adenosyl homocysteine nucleosidase (MTAN) complexed with hydroxybutylthio-DADMe-Immucillin-A | Descriptor: | (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-{[(4-hydroxybutyl)sulfanyl]methyl}pyrrolidin-3-ol, Aminodeoxyfutalosine nucleosidase | Authors: | Cameron, S.A, Wang, S, Almo, S.C, Schramm, V.L. | Deposit date: | 2014-10-02 | Release date: | 2015-11-25 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | New Antibiotic Candidates against Helicobacter pylori. J.Am.Chem.Soc., 137, 2015
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4WKP
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![BU of 4wkp by Molmil](/molmil-images/mine/4wkp) | Crystal structure of Helicobacter pylori 5'-methylthioadenosine/S-adenosyl homocysteine nucleosidase (MTAN) complexed with 2-(2-hydroxyethoxy)ethylthiomethyl-DADMe-Immucillin-A | Descriptor: | (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-(2-{[2-(2-hydroxyethoxy)ethyl]sulfanyl}ethyl)pyrrolidin-3-ol, Aminodeoxyfutalosine nucleosidase, SULFATE ION | Authors: | Cameron, S.A, Wang, S, Almo, S.C, Schramm, V.L. | Deposit date: | 2014-10-02 | Release date: | 2015-11-25 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | New Antibiotic Candidates against Helicobacter pylori. J.Am.Chem.Soc., 137, 2015
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2DUT
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![BU of 2dut by Molmil](/molmil-images/mine/2dut) | |
4Z09
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![BU of 4z09 by Molmil](/molmil-images/mine/4z09) | Crystal structure of FVO strain Plasmodium falciparum AMA1 in complex with the RON2hp [Thr2040Ala] peptide | Descriptor: | Apical membrane antigen 1, GLYCEROL, Rhoptry neck protein 2 | Authors: | Wang, G, McGowan, S, Norton, R.S, Scanlon, M.J. | Deposit date: | 2015-03-26 | Release date: | 2016-08-03 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-Activity Studies of beta-Hairpin Peptide Inhibitors of the Plasmodium falciparum AMA1-RON2 Interaction. J.Mol.Biol., 428, 2016
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