5Y8Z
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![BU of 5y8z by Molmil](/molmil-images/mine/5y8z) | Crystal Structure Analysis of the BRD4 | Descriptor: | 1,2-ETHANEDIOL, 5-bromanyl-N-(3,6-dimethyl-1,2-benzoxazol-5-yl)-2-methoxy-benzenesulfonamide, Bromodomain-containing protein 4, ... | Authors: | Xu, Y, Zhang, Y, Song, M, Wang, C. | Deposit date: | 2017-08-22 | Release date: | 2018-06-13 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Structure-Based Discovery and Optimization of Benzo[ d]isoxazole Derivatives as Potent and Selective BET Inhibitors for Potential Treatment of Castration-Resistant Prostate Cancer (CRPC) J. Med. Chem., 61, 2018
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5Y8C
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![BU of 5y8c by Molmil](/molmil-images/mine/5y8c) | Crystal Structure Analysis of the BRD4 | Descriptor: | 1,2-ETHANEDIOL, 5-chloranyl-2-methoxy-N-(6-methoxy-3-methyl-1,2-benzoxazol-5-yl)benzenesulfonamide, Bromodomain-containing protein 4, ... | Authors: | Xu, Y, Zhang, Y, Song, M, Wang, C. | Deposit date: | 2017-08-21 | Release date: | 2018-06-13 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Structure-Based Discovery and Optimization of Benzo[ d]isoxazole Derivatives as Potent and Selective BET Inhibitors for Potential Treatment of Castration-Resistant Prostate Cancer (CRPC) J. Med. Chem., 61, 2018
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8W6C
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![BU of 8w6c by Molmil](/molmil-images/mine/8w6c) | CryoEM structure of NaDC1 with Citrate | Descriptor: | 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, CHOLESTEROL HEMISUCCINATE, CITRIC ACID, ... | Authors: | Chi, X, Chen, Y, Li, Y, Dai, L, Zhang, Y, Shen, Y, Chen, Y, Shi, T, Yang, H, Wang, Z, Yan, R. | Deposit date: | 2023-08-28 | Release date: | 2024-04-17 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Cryo-EM structures of the human NaS1 and NaDC1 transporters revealed the elevator transport and allosteric regulation mechanism. Sci Adv, 10, 2024
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7XHE
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![BU of 7xhe by Molmil](/molmil-images/mine/7xhe) | Crystal structure of CBP bromodomain liganded with CCS151 | Descriptor: | (6S)-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-1-methylsulfonylpyrrolidin-3-yl]benzimidazol-2-yl]-1-(3-fluoranyl-4-methoxy-phenyl)piperidin-2-one, 1,2-ETHANEDIOL, CREB-binding protein | Authors: | Xu, H, Xiang, Q, Wang, C, Zhang, C, Luo, G, Wu, X, Zhang, Y, Xu, Y. | Deposit date: | 2022-04-08 | Release date: | 2022-07-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Structural insights revealed by the cocrystal structure of CCS1477 in complex with CBP bromodomain Biochem.Biophys.Res.Commun., 623, 2022
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7XH6
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![BU of 7xh6 by Molmil](/molmil-images/mine/7xh6) | Crystal structure of CBP bromodomain liganded with CCS1477 | Descriptor: | (6S)-1-[3,4-bis(fluoranyl)phenyl]-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-methoxycyclohexyl)benzimidazol-2-yl]piperidin-2-one, CREB-binding protein, DIMETHYL SULFOXIDE, ... | Authors: | Xu, H, Xiang, Q, Wang, C, Zhang, C, Luo, G, Wu, X, Zhang, Y, Xu, Y. | Deposit date: | 2022-04-07 | Release date: | 2022-07-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural insights revealed by the cocrystal structure of CCS1477 in complex with CBP bromodomain Biochem.Biophys.Res.Commun., 623, 2022
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8W6O
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![BU of 8w6o by Molmil](/molmil-images/mine/8w6o) | NaS1 in IN/IN state | Descriptor: | CHOLESTEROL, SODIUM ION, Solute carrier family 13 member 1 | Authors: | Chi, X, Chen, Y, Li, Y, Zhang, Y, Shen, Y, Chen, Y, Wang, Z, Yan, R. | Deposit date: | 2023-08-29 | Release date: | 2024-04-17 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Cryo-EM structures of the human NaS1 and NaDC1 transporters revealed the elevator transport and allosteric regulation mechanism. Sci Adv, 10, 2024
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7XI0
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![BU of 7xi0 by Molmil](/molmil-images/mine/7xi0) | Crystal structure of CBP bromodomain liganded with CCS150 | Descriptor: | (6S)-1-(3-chloranyl-4-methoxy-phenyl)-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-1-methylsulfonylpyrrolidin-3-yl]benzimidazol-2-yl]piperidin-2-one, CREB-binding protein, GLYCEROL | Authors: | Xu, H, Xiang, Q, Wang, C, Zhang, C, Luo, G, Wu, X, Zhang, Y, Xu, Y. | Deposit date: | 2022-04-11 | Release date: | 2022-07-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Structural insights revealed by the cocrystal structure of CCS1477 in complex with CBP bromodomain Biochem.Biophys.Res.Commun., 623, 2022
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8W6G
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![BU of 8w6g by Molmil](/molmil-images/mine/8w6g) | NaDC1 with inhibitor ACA | Descriptor: | 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, 2-[[(~{E})-3-(4-pentylphenyl)prop-2-enoyl]amino]benzoic acid, CHOLESTEROL HEMISUCCINATE, ... | Authors: | Chi, X, Chen, Y, Li, Y, Zhang, Y, Shen, Y, Chen, Y, Wang, Z, Yan, R. | Deposit date: | 2023-08-28 | Release date: | 2024-04-17 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Cryo-EM structures of the human NaS1 and NaDC1 transporters revealed the elevator transport and allosteric regulation mechanism. Sci Adv, 10, 2024
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8W6H
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![BU of 8w6h by Molmil](/molmil-images/mine/8w6h) | NaS1 with sulfate - IN/IN state | Descriptor: | CHOLESTEROL, SODIUM ION, SULFATE ION, ... | Authors: | Chi, X, Chen, Y, Li, Y, Zhang, Y, Shen, Y, Chen, Y, Wang, Z, Yan, R. | Deposit date: | 2023-08-28 | Release date: | 2024-04-17 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Cryo-EM structures of the human NaS1 and NaDC1 transporters revealed the elevator transport and allosteric regulation mechanism. Sci Adv, 10, 2024
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8W6T
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![BU of 8w6t by Molmil](/molmil-images/mine/8w6t) | NaS1 in IN/OUT state | Descriptor: | Solute carrier family 13 member 1 | Authors: | Chi, X, Chen, Y, Li, Y, Zhang, Y, Shen, Y, Chen, Y, Wang, Z, Yan, R. | Deposit date: | 2023-08-29 | Release date: | 2024-04-17 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Cryo-EM structures of the human NaS1 and NaDC1 transporters revealed the elevator transport and allosteric regulation mechanism. Sci Adv, 10, 2024
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8W6N
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![BU of 8w6n by Molmil](/molmil-images/mine/8w6n) | NaS1 with sulfate in IN/OUT state | Descriptor: | SODIUM ION, SULFATE ION, Solute carrier family 13 member 1 | Authors: | Chi, X, Chen, Y, Li, Y, Zhang, Y, Shen, Y, Chen, Y, Wang, Z, Yan, R. | Deposit date: | 2023-08-29 | Release date: | 2024-04-17 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Cryo-EM structures of the human NaS1 and NaDC1 transporters revealed the elevator transport and allosteric regulation mechanism. Sci Adv, 10, 2024
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8W6D
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![BU of 8w6d by Molmil](/molmil-images/mine/8w6d) | CryoEM structure of NaDC1 in apo state | Descriptor: | 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, CHOLESTEROL HEMISUCCINATE, SODIUM ION, ... | Authors: | Chi, X, Chen, Y, Li, Y, Zhang, Y, Shen, Y, Chen, Y, Wang, Z, Yan, R. | Deposit date: | 2023-08-28 | Release date: | 2024-04-17 | Method: | ELECTRON MICROSCOPY (2.5 Å) | Cite: | Cryo-EM structures of the human NaS1 and NaDC1 transporters revealed the elevator transport and allosteric regulation mechanism. Sci Adv, 10, 2024
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5X58
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![BU of 5x58 by Molmil](/molmil-images/mine/5x58) | Prefusion structure of SARS-CoV spike glycoprotein, conformation 1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | Authors: | Yuan, Y, Cao, D, Zhang, Y, Ma, J, Qi, J, Wang, Q, Lu, G, Wu, Y, Yan, J, Shi, Y, Zhang, X, Gao, G.F. | Deposit date: | 2017-02-15 | Release date: | 2017-05-03 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Cryo-EM structures of MERS-CoV and SARS-CoV spike glycoproteins reveal the dynamic receptor binding domains Nat Commun, 8, 2017
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5X59
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![BU of 5x59 by Molmil](/molmil-images/mine/5x59) | Prefusion structure of MERS-CoV spike glycoprotein, three-fold symmetry | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, S protein | Authors: | Yuan, Y, Cao, D, Zhang, Y, Ma, J, Qi, J, Wang, Q, Lu, G, Wu, Y, Yan, J, Shi, Y, Zhang, X, Gao, G.F. | Deposit date: | 2017-02-15 | Release date: | 2017-05-03 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Cryo-EM structures of MERS-CoV and SARS-CoV spike glycoproteins reveal the dynamic receptor binding domains Nat Commun, 8, 2017
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6O5W
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![BU of 6o5w by Molmil](/molmil-images/mine/6o5w) | Crystal structure of MORC3 CW domain fused with viral influenza A NS1 peptide | Descriptor: | NS1-linked peptide,MORC family CW-type zinc finger protein 3, ZINC ION | Authors: | Ahn, J, Zhang, Y, Vann, K.R, Kutateleadze, T. | Deposit date: | 2019-03-04 | Release date: | 2019-05-08 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.412 Å) | Cite: | MORC3 Is a Target of the Influenza A Viral Protein NS1. Structure, 27, 2019
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4LKJ
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![BU of 4lkj by Molmil](/molmil-images/mine/4lkj) | The structure of hemagglutinin L226Q mutant (H3 numbering) from a avian-origin H7N9 influenza virus (A/Anhui/1/2013) in complex with avian receptor analog 3'SLNLN | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, hemagglutinin | Authors: | Shi, Y, Zhang, W, Wang, F, Qi, J, Song, H, Wu, Y, Gao, F, Zhang, Y, Fan, Z, Gong, W, Wang, D, Shu, Y, Wang, Y, Yan, J, Gao, G.F. | Deposit date: | 2013-07-07 | Release date: | 2013-11-06 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.798 Å) | Cite: | Structures and receptor binding of hemagglutinins from human-infecting H7N9 influenza viruses Science, 342, 2013
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4LKI
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![BU of 4lki by Molmil](/molmil-images/mine/4lki) | The structure of hemagglutinin L226Q mutant from a avian-origin H7N9 influenza virus (A/Anhui/1/2013) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, hemagglutinin | Authors: | Shi, Y, Zhang, W, Wang, F, Qi, J, Song, H, Wu, Y, Gao, F, Zhang, Y, Fan, Z, Gong, W, Wang, D, Shu, Y, Wang, Y, Yan, J, Gao, G.F. | Deposit date: | 2013-07-07 | Release date: | 2013-11-06 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structures and receptor binding of hemagglutinins from human-infecting H7N9 influenza viruses Science, 342, 2013
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4LKG
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![BU of 4lkg by Molmil](/molmil-images/mine/4lkg) | The structure of hemagglutinin from a avian-origin H7N9 influenza virus (A/Shanghai/1/2013) in complex with avian receptor analog 3'SLNLN | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Shi, Y, Zhang, W, Wang, F, Qi, J, Song, H, Wu, Y, Gao, F, Zhang, Y, Fan, Z, Gong, W, Wang, D, Shu, Y, Wang, Y, Yan, J, Gao, G.F. | Deposit date: | 2013-07-07 | Release date: | 2013-11-06 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.994 Å) | Cite: | Structures and receptor binding of hemagglutinins from human-infecting H7N9 influenza viruses Science, 342, 2013
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5YQX
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![BU of 5yqx by Molmil](/molmil-images/mine/5yqx) | Crystal Structure Analysis of the BRD4 | Descriptor: | (2R)-2-(cyclopropylmethyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-4H-1,4-benzoxazin-3-one, 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ... | Authors: | Xue, X, Zhang, Y, Wang, C, Song, M. | Deposit date: | 2017-11-08 | Release date: | 2018-11-28 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Benzoxazinone-containing 3,5-dimethylisoxazole derivatives as BET bromodomain inhibitors for treatment of castration-resistant prostate cancer. Eur.J.Med.Chem., 152, 2018
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4LKK
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![BU of 4lkk by Molmil](/molmil-images/mine/4lkk) | The structure of hemagglutinin L226Q mutant (H3 numbering) from a avian-origin H7N9 influenza virus (A/Anhui/1/2013) in complex with human receptor analog 6'SLNLN | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose, hemagglutinin | Authors: | Shi, Y, Zhang, W, Wang, F, Qi, J, Song, H, Wu, Y, Gao, F, Zhang, Y, Fan, Z, Gong, W, Wang, D, Shu, Y, Wang, Y, Yan, J, Gao, G.F. | Deposit date: | 2013-07-07 | Release date: | 2013-11-06 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.491 Å) | Cite: | Structures and receptor binding of hemagglutinins from human-infecting H7N9 influenza viruses Science, 342, 2013
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4LKH
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![BU of 4lkh by Molmil](/molmil-images/mine/4lkh) | The structure of hemagglutinin from a avian-origin H7N9 influenza virus (A/Shanghai/1/2013) in complex with human receptor analog 6'SLNLN | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, N-acetyl-alpha-neuraminic acid, hemagglutinin | Authors: | Shi, Y, Zhang, W, Wang, F, Qi, J, Song, H, Wu, Y, Gao, F, Zhang, Y, Fan, Z, Gong, W, Wang, D, Shu, Y, Wang, Y, Yan, J, Gao, G.F. | Deposit date: | 2013-07-07 | Release date: | 2013-11-06 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.099 Å) | Cite: | Structures and receptor binding of hemagglutinins from human-infecting H7N9 influenza viruses Science, 342, 2013
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5YMR
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![BU of 5ymr by Molmil](/molmil-images/mine/5ymr) | The Crystal Structure of IseG | Descriptor: | 2-hydroxyethylsulfonic acid, Formate acetyltransferase, GLYCEROL | Authors: | Lin, L, Zhang, J, Xing, M, Hua, G, Guo, C, Hu, Y, Wei, Y, Ang, E, Zhao, H, Zhang, Y, Yuchi, Z. | Deposit date: | 2017-10-22 | Release date: | 2019-03-20 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Radical-mediated C-S bond cleavage in C2 sulfonate degradation by anaerobic bacteria. Nat Commun, 10, 2019
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1Q7C
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![BU of 1q7c by Molmil](/molmil-images/mine/1q7c) | The structure of betaketoacyl-[ACP] reductase Y151F mutant in complex with NADPH fragment | Descriptor: | 3-oxoacyl-[acyl-carrier protein] reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Price, A.C, Zhang, Y.-M, Rock, C.O, White, S.M. | Deposit date: | 2003-08-17 | Release date: | 2004-02-17 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Cofactor-Induced Conformational Rearrangements Establish a Catalytically Competent Active Site and a
Proton Relay Conduit in FabG Structure, 12, 2004
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3L0C
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![BU of 3l0c by Molmil](/molmil-images/mine/3l0c) | |
3L0B
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![BU of 3l0b by Molmil](/molmil-images/mine/3l0b) | Crystal structure of SCP1 phosphatase D206A mutant phosphoryl-intermediate | Descriptor: | 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1, MAGNESIUM ION | Authors: | Zhang, M, Zhang, Y. | Deposit date: | 2009-12-09 | Release date: | 2010-03-23 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structural and functional analysis of the phosphoryl transfer reaction mediated by the human small C-terminal domain phosphatase, Scp1. Protein Sci., 19, 2010
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