4OBP
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![BU of 4obp by Molmil](/molmil-images/mine/4obp) | MAP4K4 in complex with inhibitor (compound 29), 6-(2-FLUOROPYRIDIN-4-YL)PYRIDO[3,2-D]PYRIMIDIN-4-AMINE | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-(2-fluoropyridin-4-yl)pyrido[3,2-d]pyrimidin-4-amine, MAGNESIUM ION, ... | 著者 | Harris, S.F, Wu, P. | 登録日 | 2014-01-07 | 公開日 | 2014-04-23 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.27 Å) | 主引用文献 | Discovery of Selective 4-Amino-pyridopyrimidine Inhibitors of MAP4K4 Using Fragment-Based Lead Identification and Optimization. J.Med.Chem., 57, 2014
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7CBZ
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![BU of 7cbz by Molmil](/molmil-images/mine/7cbz) | Crystal structure of T2R-TTL-A31 complex | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-[5-[4-[2-[4-(2-cyclopropylethanoyl)piperazin-1-yl]ethoxy]phenyl]pyridin-2-yl]-N-(phenylmethyl)ethanamide, CALCIUM ION, ... | 著者 | Yang, J.H, Yan, W. | 登録日 | 2020-06-15 | 公開日 | 2021-06-23 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.61 Å) | 主引用文献 | Design, Synthesis, and Bioactivity Evaluation of Dual-Target Inhibitors of Tubulin and Src Kinase Guided by Crystal Structure. J.Med.Chem., 64, 2021
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7CLD
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![BU of 7cld by Molmil](/molmil-images/mine/7cld) | Crystal structure of T2R-TTL-Cevipabulin complex | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-[2,6-bis(fluoranyl)-4-[3-(methylamino)propoxy]phenyl]-5-chloranyl-N-[(2S)-1,1,1-tris(fluoranyl)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine, CALCIUM ION, ... | 著者 | Chen, L.J, Chen, Q, Yu, Y, Yang, J.H. | 登録日 | 2020-07-20 | 公開日 | 2021-07-07 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.611 Å) | 主引用文献 | Cevipabulin-tubulin complex reveals a novel agent binding site on alpha-tubulin with tubulin degradation effect. Sci Adv, 7, 2021
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6UT9
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![BU of 6ut9 by Molmil](/molmil-images/mine/6ut9) | Crystal structure of the carbohydrate-binding domain VP8* of human P[4] rotavirus strain BM5265 | 分子名称: | Outer capsid protein VP4 | 著者 | Xu, S, Stuckert, M, Burnside, R, McGinnis, K, Jiang, X, Kennedy, M.A. | 登録日 | 2019-10-29 | 公開日 | 2020-11-04 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.21 Å) | 主引用文献 | Structural basis of P[II] rotavirus evolution and host ranges under selection of histo-blood group antigens. Proc.Natl.Acad.Sci.USA, 118, 2021
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7C7A
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![BU of 7c7a by Molmil](/molmil-images/mine/7c7a) | Cryo-EM structure of yeast Ribonuclease MRP with substrate ITS1 | 分子名称: | Internal Transcribed Spacer 1, MAGNESIUM ION, RNases MRP/P 32.9 kDa subunit, ... | 著者 | Lan, P, Wu, J, Lei, M. | 登録日 | 2020-05-24 | 公開日 | 2020-07-08 | 最終更新日 | 2024-03-27 | 実験手法 | ELECTRON MICROSCOPY (2.8 Å) | 主引用文献 | Structural insight into precursor ribosomal RNA processing by ribonuclease MRP. Science, 369, 2020
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7C79
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![BU of 7c79 by Molmil](/molmil-images/mine/7c79) | Cryo-EM structure of yeast Ribonuclease MRP | 分子名称: | MAGNESIUM ION, RNases MRP/P 32.9 kDa subunit, Ribonuclease MRP RNA subunit NME1, ... | 著者 | Lan, P, Wu, J, Lei, M. | 登録日 | 2020-05-24 | 公開日 | 2020-07-08 | 最終更新日 | 2024-03-27 | 実験手法 | ELECTRON MICROSCOPY (2.5 Å) | 主引用文献 | Structural insight into precursor ribosomal RNA processing by ribonuclease MRP. Science, 369, 2020
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4U44
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![BU of 4u44 by Molmil](/molmil-images/mine/4u44) | MAP4K4 in complex with inhibitor (compound 16) | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-phenyl-N-(pyridin-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine, Mitogen-activated protein kinase kinase kinase kinase 4, ... | 著者 | Harris, S.F, Wu, P, Coons, M. | 登録日 | 2014-07-23 | 公開日 | 2014-09-03 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.43 Å) | 主引用文献 | Fragment-based identification and optimization of a class of potent pyrrolo[2,1-f][1,2,4]triazine MAP4K4 inhibitors. Bioorg.Med.Chem.Lett., 24, 2014
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4U43
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![BU of 4u43 by Molmil](/molmil-images/mine/4u43) | MAP4K4 in complex with inhibitor (compound 6) | 分子名称: | Mitogen-activated protein kinase kinase kinase kinase 4, N-(pyridin-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine | 著者 | Harris, S.F, Wu, P, Coons, M. | 登録日 | 2014-07-23 | 公開日 | 2014-09-03 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.18 Å) | 主引用文献 | Fragment-based identification and optimization of a class of potent pyrrolo[2,1-f][1,2,4]triazine MAP4K4 inhibitors. Bioorg.Med.Chem.Lett., 24, 2014
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4U45
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![BU of 4u45 by Molmil](/molmil-images/mine/4u45) | MAP4K4 in complex with inhibitor (compound 25) | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-(1H-pyrazol-4-yl)-N-(pyridin-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine, MAGNESIUM ION, ... | 著者 | Harris, S.F, Wu, P, Coons, M. | 登録日 | 2014-07-23 | 公開日 | 2014-09-03 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.58 Å) | 主引用文献 | Fragment-based identification and optimization of a class of potent pyrrolo[2,1-f][1,2,4]triazine MAP4K4 inhibitors. Bioorg.Med.Chem.Lett., 24, 2014
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7S49
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![BU of 7s49 by Molmil](/molmil-images/mine/7s49) | Crystal Structure of Inhibitor-bound Galactokinase | 分子名称: | (4R)-2-[(1,3-benzoxazol-2-yl)amino]-4-(4-chloro-1H-pyrazol-5-yl)-4,6,7,8-tetrahydroquinazolin-5(1H)-one, Galactokinase, PHOSPHATE ION, ... | 著者 | Whitby, F.G. | 登録日 | 2021-09-08 | 公開日 | 2021-09-29 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Structure-Based Optimization of Small Molecule Human Galactokinase Inhibitors. J.Med.Chem., 64, 2021
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7S4C
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![BU of 7s4c by Molmil](/molmil-images/mine/7s4c) | Crystal Structure of Inhibitor-bound Galactokinase | 分子名称: | 2-({(4R)-4-(2-chlorophenyl)-2-[(6-fluoro-1,3-benzoxazol-2-yl)amino]-6-methyl-1,4-dihydropyrimidine-5-carbonyl}amino)pyridine-4-carboxylic acid, Galactokinase, PHOSPHATE ION, ... | 著者 | Whitby, F.G. | 登録日 | 2021-09-08 | 公開日 | 2021-09-29 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Structure-Based Optimization of Small Molecule Human Galactokinase Inhibitors. J.Med.Chem., 64, 2021
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8XEJ
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![BU of 8xej by Molmil](/molmil-images/mine/8xej) | Cryo-EM structure of human XKR8-basigin complex in lipid nanodisc | 分子名称: | 1,2-DILINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Fab heavy chain, Fab light chain, ... | 著者 | Sakuragi, T.S, Kanai, R.K, Kikkawa, M.K, Toyoshima, C.T, Nagata, S.N. | 登録日 | 2023-12-12 | 公開日 | 2024-02-28 | 最終更新日 | 2024-03-27 | 実験手法 | ELECTRON MICROSCOPY (3.66 Å) | 主引用文献 | The role of the C-terminal tail region as a plug to regulate XKR8 lipid scramblase. J.Biol.Chem., 300, 2024
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4PTX
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![BU of 4ptx by Molmil](/molmil-images/mine/4ptx) | Halothermothrix orenii beta-glucosidase A, glucose complex | 分子名称: | CACODYLATE ION, Glycoside hydrolase family 1, beta-D-glucopyranose | 著者 | Hassan, N, Nguyen, T.H, Kori, L.D, Patel, B.K.C, Haltrich, D, Divne, C, Tan, T.C. | 登録日 | 2014-03-11 | 公開日 | 2014-09-24 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Biochemical and structural characterization of a thermostable beta-glucosidase from Halothermothrix orenii for galacto-oligosaccharide synthesis. Appl.Microbiol.Biotechnol., 99, 2015
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4PTW
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![BU of 4ptw by Molmil](/molmil-images/mine/4ptw) | Halothermothrix orenii beta-glucosidase A, 2-deoxy-2-fluoro-glucose complex | 分子名称: | 2-deoxy-2-fluoro-alpha-D-glucopyranose, Glycoside hydrolase family 1, TETRAETHYLENE GLYCOL | 著者 | Hassan, N, Nguyen, T.H, Kori, L.D, Patel, B.K.C, Haltrich, D, Divne, C, Tan, T.C. | 登録日 | 2014-03-11 | 公開日 | 2014-09-24 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Biochemical and structural characterization of a thermostable beta-glucosidase from Halothermothrix orenii for galacto-oligosaccharide synthesis. Appl.Microbiol.Biotechnol., 99, 2015
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3D26
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![BU of 3d26 by Molmil](/molmil-images/mine/3d26) | Norwalk P domain A-trisaccharide complex | 分子名称: | 58 kd capsid protein, alpha-L-fucopyranose-(1-2)-[2-acetamido-2-deoxy-beta-D-galactopyranose-(1-3)]beta-D-galactopyranose | 著者 | Hegde, R, Bu, W. | 登録日 | 2008-05-07 | 公開日 | 2008-06-10 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structural basis for the receptor binding specificity of Norwalk virus. J.Virol., 82, 2008
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6VKX
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![BU of 6vkx by Molmil](/molmil-images/mine/6vkx) | Crystal structure of the carbohydrate-binding domain VP8* of human P[8] rotavirus strain BM13851 | 分子名称: | DI(HYDROXYETHYL)ETHER, Outer capsid protein VP4, TETRAETHYLENE GLYCOL | 著者 | Xu, S, McGinnis, K.R, Jiang, X, Kennedy, M.A. | 登録日 | 2020-01-22 | 公開日 | 2021-01-27 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.71 Å) | 主引用文献 | Structural basis of P[II] rotavirus evolution and host ranges under selection of histo-blood group antigens. Proc.Natl.Acad.Sci.USA, 118, 2021
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4PTV
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![BU of 4ptv by Molmil](/molmil-images/mine/4ptv) | Halothermothrix orenii beta-glucosidase A, thiocellobiose complex | 分子名称: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, CESIUM ION, Glycoside hydrolase family 1, ... | 著者 | Hassan, N, Nguyen, T.H, Kori, L.D, Patel, B.K.C, Haltrich, D, Divne, C, Tan, T.C. | 登録日 | 2014-03-11 | 公開日 | 2014-09-24 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Biochemical and structural characterization of a thermostable beta-glucosidase from Halothermothrix orenii for galacto-oligosaccharide synthesis. Appl.Microbiol.Biotechnol., 99, 2015
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5VKI
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![BU of 5vki by Molmil](/molmil-images/mine/5vki) | Crystal structure of P[19] rotavirus VP8* complexed with mucin core 2 | 分子名称: | GLYCEROL, Outer capsid protein VP4, SULFATE ION, ... | 著者 | Xu, S, Liu, Y, Woodruff, A, Zhong, W, Jiang, X, Kennedy, M.A. | 登録日 | 2017-04-21 | 公開日 | 2017-11-08 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structural basis of glycan specificity of P[19] VP8*: Implications for rotavirus zoonosis and evolution. PLoS Pathog., 13, 2017
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5VKS
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![BU of 5vks by Molmil](/molmil-images/mine/5vks) | Crystal structure of P[19] rotavirus VP8* complexed with LNFPI | 分子名称: | GLYCEROL, Outer capsid protein VP4, SULFATE ION, ... | 著者 | Xu, S, Liu, Y, Woodruff, A, Zhong, W, Jiang, X, Kennedy, M.A. | 登録日 | 2017-04-22 | 公開日 | 2017-11-08 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | 主引用文献 | Structural basis of glycan specificity of P[19] VP8*: Implications for rotavirus zoonosis and evolution. PLoS Pathog., 13, 2017
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9FMM
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![BU of 9fmm by Molmil](/molmil-images/mine/9fmm) | Structure of human ACE2 in complex with a fluorinated small molecule inhibitor | 分子名称: | (2~{S})-2-[[(2~{S})-3-[3-[(3-chloranyl-5-fluoranyl-phenyl)methyl]imidazol-4-yl]-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-4-methyl-pentanoic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Benoit, R.B, Rodrigues, M.J, Wieser, M.M. | 登録日 | 2024-06-06 | 公開日 | 2024-07-17 | 最終更新日 | 2024-08-14 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Development of radiofluorinated MLN-4760 derivatives for PET imaging of the SARS-CoV-2 entry receptor ACE2. Eur J Nucl Med Mol Imaging, 2024
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7COH
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![BU of 7coh by Molmil](/molmil-images/mine/7coh) | Dimeric Form of Bovine Heart Cytochrome c Oxidase in the Fully Oxidized State | 分子名称: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, 1,2-ETHANEDIOL, ... | 著者 | Shinzawa-Itoh, K, Muramoto, K. | 登録日 | 2020-08-04 | 公開日 | 2021-04-07 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | The 1.3-A Resolution structure of bovine cytochrome c oxidase suggests a dimerization mechanism Biochim.Biophys.Acta, 2021
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6DRU
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![BU of 6dru by Molmil](/molmil-images/mine/6dru) | Xylosidase from Aspergillus niger | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Glycosyl hydrolases family 31 family protein, ... | 著者 | Cao, H, Xu, W, Betancourt, M, Walton, J.D, Brumm, P, Phillips Jr, G.N, Enzyme Discovery for Natural Product Biosynthesis (NatPro) | 登録日 | 2018-06-13 | 公開日 | 2018-08-22 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Crystal Structure of alpha-Xylosidase fromAspergillus nigerin Complex with a Hydrolyzed Xyloglucan Product and New Insights in Accurately Predicting Substrate Specificities of GH31 Family Glycosidases. Acs Sustain Chem Eng, 8, 2020
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7KHU
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![BU of 7khu by Molmil](/molmil-images/mine/7khu) | Crystal structure of the carbohydrate-binding domain VP8* of human P[4] rotavirus strain BM5265 in complex with LNDFH I | 分子名称: | Outer capsid protein VP4, alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-3)-[alpha-L-fucopyranose-(1-4)]2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose | 著者 | Xu, S, Stuckert, M, Burnside, R, McGinnis, K, Jiang, X, Kennedy, M.A. | 登録日 | 2020-10-22 | 公開日 | 2021-08-18 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.54 Å) | 主引用文献 | Structural basis of P[II] rotavirus evolution and host ranges under selection of histo-blood group antigens. Proc.Natl.Acad.Sci.USA, 118, 2021
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4QUU
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![BU of 4quu by Molmil](/molmil-images/mine/4quu) | Structure of the bromodomain of human ATPase family AAA domain-containing protein 2 (ATAD2) complexed with Histone H4-K(ac)5 | 分子名称: | 1,2-ETHANEDIOL, ATPase family AAA domain-containing protein 2, Histone H4, ... | 著者 | Chaikuad, A, Felletar, I, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2014-07-12 | 公開日 | 2014-07-30 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Atad2 is a generalist facilitator of chromatin dynamics in embryonic stem cells. J Mol Cell Biol, 8, 2016
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6NIW
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![BU of 6niw by Molmil](/molmil-images/mine/6niw) | Crystal structure of P[6] rotavirus | 分子名称: | DI(HYDROXYETHYL)ETHER, Protease-sensitive outer capsid protein | 著者 | Xu, S, Liu, Y, Lakamp, L, Ahmed, L, Jiang, X, Kennedy, M.A. | 登録日 | 2019-01-01 | 公開日 | 2020-01-08 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Molecular basis of P[II] major human rotavirus VP8* domain recognition of histo-blood group antigens. Plos Pathog., 16, 2020
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