5WB6
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![BU of 5wb6 by Molmil](/molmil-images/mine/5wb6) | FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl [(11S)-11-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-6-fluoro-2-oxo-1,3,4,10,11,13-hexahydro-2H-5,9:15,12-di(azeno)-1,13-benzodiazacycloheptadecin-18-yl]carbamate | 分子名称: | 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ... | 著者 | Sheriff, S. | 登録日 | 2017-06-28 | 公開日 | 2017-08-02 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Macrocyclic factor XIa inhibitors. Bioorg. Med. Chem. Lett., 27, 2017
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3JZN
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![BU of 3jzn by Molmil](/molmil-images/mine/3jzn) | Structure of EED in apo form | 分子名称: | Polycomb protein EED | 著者 | Xu, C, Bian, C.B, Ouyang, H, Qiu, W, MacKenzie, F, Min, J, Structural Genomics Consortium (SGC) | 登録日 | 2009-09-23 | 公開日 | 2009-12-15 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Binding of different histone marks differentially regulates the activity and specificity of polycomb repressive complex 2 (PRC2). Proc.Natl.Acad.Sci.USA, 107, 2010
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7SBQ
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![BU of 7sbq by Molmil](/molmil-images/mine/7sbq) | One RBD-up 1 of pre-fusion SARS-CoV-2 Kappa variant spike protein | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Zhang, J, Xiao, T.S, Cai, Y.F, Peng, H.Q, Volloch, S.R, Chen, B. | 登録日 | 2021-09-25 | 公開日 | 2021-11-03 | 最終更新日 | 2021-12-22 | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | 主引用文献 | Membrane fusion and immune evasion by the spike protein of SARS-CoV-2 Delta variant. Science, 374, 2021
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7SBP
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![BU of 7sbp by Molmil](/molmil-images/mine/7sbp) | Closed state of pre-fusion SARS-CoV-2 Kappa variant spike protein | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Zhang, J, Xiao, T.S, Cai, Y.F, Peng, H.Q, Volloch, S.R, Chen, B. | 登録日 | 2021-09-25 | 公開日 | 2021-11-03 | 最終更新日 | 2021-12-22 | 実験手法 | ELECTRON MICROSCOPY (3.44 Å) | 主引用文献 | Membrane fusion and immune evasion by the spike protein of SARS-CoV-2 Delta variant. Science, 374, 2021
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7SBR
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![BU of 7sbr by Molmil](/molmil-images/mine/7sbr) | One RBD-up 2 of pre-fusion SARS-CoV-2 Kappa variant spike protein | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Zhang, J, Xiao, T.S, Cai, Y.F, Peng, H.Q, Volloch, S.R, Chen, B. | 登録日 | 2021-09-25 | 公開日 | 2021-11-03 | 最終更新日 | 2021-12-22 | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | 主引用文献 | Membrane fusion and immune evasion by the spike protein of SARS-CoV-2 Delta variant. Science, 374, 2021
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7SBO
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![BU of 7sbo by Molmil](/molmil-images/mine/7sbo) | One RBD-up 2 of pre-fusion SARS-CoV-2 Delta variant spike protein | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Zhang, J, Xiao, T.S, Cai, Y.F, Peng, H.Q, Volloch, S.R, Chen, B. | 登録日 | 2021-09-25 | 公開日 | 2021-11-03 | 最終更新日 | 2021-12-22 | 実験手法 | ELECTRON MICROSCOPY (3.44 Å) | 主引用文献 | Membrane fusion and immune evasion by the spike protein of SARS-CoV-2 Delta variant. Science, 374, 2021
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7SBT
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![BU of 7sbt by Molmil](/molmil-images/mine/7sbt) | One RBD-up 2 of pre-fusion SARS-CoV-2 Gamma variant spike protein | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Zhang, J, Xiao, T.S, Cai, Y.F, Peng, H.Q, Volloch, S.R, Chen, B. | 登録日 | 2021-09-25 | 公開日 | 2021-11-10 | 最終更新日 | 2021-12-22 | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | 主引用文献 | Membrane fusion and immune evasion by the spike protein of SARS-CoV-2 Delta variant. Science, 374, 2021
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7SBK
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![BU of 7sbk by Molmil](/molmil-images/mine/7sbk) | Closed state of pre-fusion SARS-CoV-2 Delta variant spike protein | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Zhang, J, Xiao, T.S, Cai, Y.F, Peng, H.Q, Volloch, S.R, Chen, B. | 登録日 | 2021-09-25 | 公開日 | 2021-11-03 | 最終更新日 | 2021-12-22 | 実験手法 | ELECTRON MICROSCOPY (3.44 Å) | 主引用文献 | Membrane fusion and immune evasion by the spike protein of SARS-CoV-2 Delta variant. Science, 374, 2021
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7SBS
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![BU of 7sbs by Molmil](/molmil-images/mine/7sbs) | One RBD-up 1 of pre-fusion SARS-CoV-2 Gamma variant spike protein | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Zhang, J, Xiao, T.S, Cai, Y.F, Peng, H.Q, Volloch, S.R, Chen, B. | 登録日 | 2021-09-25 | 公開日 | 2021-11-03 | 最終更新日 | 2021-12-22 | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | 主引用文献 | Membrane fusion and immune evasion by the spike protein of SARS-CoV-2 Delta variant. Science, 374, 2021
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7SBL
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![BU of 7sbl by Molmil](/molmil-images/mine/7sbl) | One RBD-up 1 of pre-fusion SARS-CoV-2 Delta variant spike protein | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Zhang, J, Xiao, T.S, Cai, Y.F, Peng, H.Q, Volloch, S.R, Chen, B. | 登録日 | 2021-09-25 | 公開日 | 2021-11-10 | 最終更新日 | 2021-12-22 | 実験手法 | ELECTRON MICROSCOPY (3.44 Å) | 主引用文献 | Membrane fusion and immune evasion by the spike protein of SARS-CoV-2 Delta variant. Science, 374, 2021
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7N4S
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![BU of 7n4s by Molmil](/molmil-images/mine/7n4s) | Bruton's tyrosine kinase in complex with compound 65 | 分子名称: | (3R,3'R)-3-anilino-1'-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)[1,3'-bipiperidin]-2-one, Tyrosine-protein kinase BTK | 著者 | Metrick, C.M, Marcotte, D.J. | 登録日 | 2021-06-04 | 公開日 | 2022-05-18 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Utilizing structure based drug design and metabolic soft spot identification to optimize the in vitro potency and in vivo pharmacokinetic properties leading to the discovery of novel reversible Bruton's tyrosine kinase inhibitors. Bioorg.Med.Chem., 44, 2021
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7N4R
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![BU of 7n4r by Molmil](/molmil-images/mine/7n4r) | Bruton's tyrosine kinase in complex with compound 21 | 分子名称: | DIMETHYL SULFOXIDE, N-{2-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethyl}-N~2~-phenylglycinamide, Tyrosine-protein kinase BTK | 著者 | Metrick, C.M, Marcotte, D.J. | 登録日 | 2021-06-04 | 公開日 | 2022-05-18 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | 主引用文献 | Utilizing structure based drug design and metabolic soft spot identification to optimize the in vitro potency and in vivo pharmacokinetic properties leading to the discovery of novel reversible Bruton's tyrosine kinase inhibitors. Bioorg.Med.Chem., 44, 2021
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7N4Q
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![BU of 7n4q by Molmil](/molmil-images/mine/7n4q) | Bruton's tyrosine kinase in complex with compound 45 | 分子名称: | (2R)-2-(3-chloro-5-fluoroanilino)-2-cyclopropyl-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]acetamide, Tyrosine-protein kinase BTK | 著者 | Metrick, C.M, Marcotte, D.J. | 登録日 | 2021-06-04 | 公開日 | 2022-05-18 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Utilizing structure based drug design and metabolic soft spot identification to optimize the in vitro potency and in vivo pharmacokinetic properties leading to the discovery of novel reversible Bruton's tyrosine kinase inhibitors. Bioorg.Med.Chem., 44, 2021
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7OIL
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![BU of 7oil by Molmil](/molmil-images/mine/7oil) | mPI3Kd in complex with compound 58 | 分子名称: | 2-[(1S)-1-cyclopropylethyl]-5-[4-methyl-2-[[6-(2-oxidanylidenepyrrolidin-1-yl)pyridin-2-yl]amino]-1,3-thiazol-5-yl]-7-methylsulfonyl-3H-isoindol-1-one, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, SODIUM ION | 著者 | Petersen, J. | 登録日 | 2021-05-11 | 公開日 | 2021-07-14 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Discovery of AZD8154, a Dual PI3K gamma delta Inhibitor for the Treatment of Asthma. J.Med.Chem., 64, 2021
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7OI4
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![BU of 7oi4 by Molmil](/molmil-images/mine/7oi4) | mPI3Kd in complex with compound 12 | 分子名称: | N-[5-[2-[(1S)-1-cyclopropylethyl]-7-[[4-[(dimethylamino)methyl]phenyl]sulfamoyl]-1-oxidanylidene-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]ethanamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | 著者 | Petersen, J. | 登録日 | 2021-05-11 | 公開日 | 2021-07-14 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Discovery of AZD8154, a Dual PI3K gamma delta Inhibitor for the Treatment of Asthma. J.Med.Chem., 64, 2021
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7OIS
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![BU of 7ois by Molmil](/molmil-images/mine/7ois) | mPI3Kd in complex with compound 7 | 分子名称: | N-[5-[2-[(1S)-1-cyclopropylethyl]-7-[(3-methylsulfonylphenyl)sulfamoyl]-1-oxidanylidene-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]ethanamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, SODIUM ION | 著者 | Petersen, J. | 登録日 | 2021-05-12 | 公開日 | 2021-07-14 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Discovery of AZD8154, a Dual PI3K gamma delta Inhibitor for the Treatment of Asthma. J.Med.Chem., 64, 2021
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7OIJ
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![BU of 7oij by Molmil](/molmil-images/mine/7oij) | mPI3Kd in complex with an inhibitor | 分子名称: | 6-[[5-[2-[(1S)-1-cyclopropylethyl]-7-(methylsulfamoyl)-1-oxidanylidene-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]amino]-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, SODIUM ION, ... | 著者 | Petersen, J. | 登録日 | 2021-05-11 | 公開日 | 2021-07-14 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Discovery of AZD8154, a Dual PI3K gamma delta Inhibitor for the Treatment of Asthma. J.Med.Chem., 64, 2021
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7PB2
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![BU of 7pb2 by Molmil](/molmil-images/mine/7pb2) | Crystal structure of JDI TCR in complex with HLA-A*11:01 bound to KRAS G12D peptide (VVVGADGVGK) | 分子名称: | Beta-2-microglobulin, KRAS G12D peptide (VVVGADGVGK), MHC class I antigen, ... | 著者 | Coles, C.H, Karuppiah, V, Robinson, R.A. | 登録日 | 2021-07-30 | 公開日 | 2022-07-20 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (3.41 Å) | 主引用文献 | Therapeutic high affinity T cell receptor targeting a KRASG12D cancer neoantigen Nat Commun, 13, 2022
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7OW5
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![BU of 7ow5 by Molmil](/molmil-images/mine/7ow5) | |
7OW6
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![BU of 7ow6 by Molmil](/molmil-images/mine/7ow6) | |
7OW3
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![BU of 7ow3 by Molmil](/molmil-images/mine/7ow3) | |
7OW4
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![BU of 7ow4 by Molmil](/molmil-images/mine/7ow4) | Crystal structure of HLA-A*11:01 in complex with KRAS G12D peptide (VVVGADGVGK) | 分子名称: | Beta-2-microglobulin, KRAS G12D peptide (VVVGADGVGK), MHC class I antigen, ... | 著者 | Coles, C.H, Karuppiah, V, Robinson, R.A. | 登録日 | 2021-06-16 | 公開日 | 2022-07-20 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | 主引用文献 | Therapeutic high affinity T cell receptor targeting a KRASG12D cancer neoantigen Nat Commun, 13, 2022
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3K26
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![BU of 3k26 by Molmil](/molmil-images/mine/3k26) | Complex structure of EED and trimethylated H3K4 | 分子名称: | HISTONE PEPTIDE, Polycomb protein EED | 著者 | Bian, C.B, Xu, C, Qiu, W, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Structural Genomics Consortium (SGC) | 登録日 | 2009-09-29 | 公開日 | 2009-12-15 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | 主引用文献 | Binding of different histone marks differentially regulates the activity and specificity of polycomb repressive complex 2 (PRC2). Proc.Natl.Acad.Sci.USA, 107, 2010
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3K27
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![BU of 3k27 by Molmil](/molmil-images/mine/3k27) | Complex structure of EED and trimethylated H3K9 | 分子名称: | HISTONE PEPTIDE, Polycomb protein EED | 著者 | Bian, C.B, Xu, C, Qiu, W, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Structural Genomics Consortium (SGC) | 登録日 | 2009-09-29 | 公開日 | 2009-12-15 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | 主引用文献 | Binding of different histone marks differentially regulates the activity and specificity of polycomb repressive complex 2 (PRC2). Proc.Natl.Acad.Sci.USA, 107, 2010
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3JZG
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![BU of 3jzg by Molmil](/molmil-images/mine/3jzg) | Structure of EED in complex with H3K27me3 | 分子名称: | HISTONE PEPTIDE, Polycomb protein EED | 著者 | Xu, C, Bian, C.B, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Structural Genomics Consortium (SGC) | 登録日 | 2009-09-23 | 公開日 | 2009-12-15 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Binding of different histone marks differentially regulates the activity and specificity of polycomb repressive complex 2 (PRC2). Proc.Natl.Acad.Sci.USA, 107, 2010
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