7JP0
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![BU of 7jp0 by Molmil](/molmil-images/mine/7jp0) | Crystal structure of Mpro with inhibitor r1 | 分子名称: | 3C-like proteinase, DIMETHYL SULFOXIDE, N-[(benzyloxy)carbonyl]-L-valyl-N-{(2R)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide | 著者 | Yang, K, Liu, W. | 登録日 | 2020-08-07 | 公開日 | 2021-10-13 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Crystal structure of Mpro with inhibitor r1 To Be Published
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4ICY
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![BU of 4icy by Molmil](/molmil-images/mine/4icy) | Tracing the Evolution of Angucyclinone Monooxygenases: Structural Determinants for C-12b Hydroxylation and Substrate Inhibition in PgaE | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ... | 著者 | Kallio, P, Patrikainen, P, Belogurov, G, Mantsala, P, Yang, K, Niemi, J, Metsa-Ketela, M. | 登録日 | 2012-12-11 | 公開日 | 2013-06-12 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Tracing the Evolution of Angucyclinone Monooxygenases: Structural Determinants for C-12b Hydroxylation and Substrate Inhibition in PgaE. Biochemistry, 52, 2013
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4MRO
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![BU of 4mro by Molmil](/molmil-images/mine/4mro) | Human GKRP bound to AMG-5980 and S6P | 分子名称: | 2-(4-{4-[(6-aminopyridin-3-yl)sulfonyl]piperazin-1-yl}phenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol, D-SORBITOL-6-PHOSPHATE, GLYCEROL, ... | 著者 | St Jean, D.J, Ashton, K.S, Bartberger, M.D, Chen, J, Chmait, S, Cupples, R, Galbreath, E, Helmering, J, Jordan, S.R, Liu, L, Kunz, K, Michelsen, K, Nishimura, N, Pennington, L.D, Poon, S.F, Sivits, G, Stec, M.M, Tamayo, N, Van, G, Yang, K, Norman, M.H, Fotsch, C, LLoyd, D.J, Hale, C. | 登録日 | 2013-09-17 | 公開日 | 2014-05-07 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Small molecule disruptors of the glucokinase-glucokinase regulatory protein interaction: 2. Leveraging structure-based drug design to identify analogues with improved pharmacokinetic profiles. J.Med.Chem., 57, 2014
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7SH7
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![BU of 7sh7 by Molmil](/molmil-images/mine/7sh7) | Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI87 | 分子名称: | 3C-like proteinase nsp5, benzyl [(2S,3R)-3-tert-butoxy-1-{[(2S)-3-cyclohexyl-1-oxo-1-(2-{[(3S)-2-oxopyrrolidin-3-yl]methyl}-2-propanoylhydrazinyl)propan-2-yl]amino}-1-oxobutan-2-yl]carbamate (non-preferred name) | 著者 | Blankenship, L.R, Yang, K.S, Liu, W.R. | 登録日 | 2021-10-08 | 公開日 | 2023-04-12 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | An Azapeptide Platform in Conjunction with Covalent Warheads to Uncover High-Potency Inhibitors for SARS-CoV-2 Main Protease. Biorxiv, 2023
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5JMT
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![BU of 5jmt by Molmil](/molmil-images/mine/5jmt) | Crystal structure of Zika virus NS3 helicase | 分子名称: | NS3 helicase | 著者 | Tian, H, Ji, X, Yang, X, Xie, W, Yang, K, Chen, C, Wu, C, Chi, H, Mu, Z, Wang, Z, Yang, H. | 登録日 | 2016-04-29 | 公開日 | 2016-05-25 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.796 Å) | 主引用文献 | The crystal structure of Zika virus helicase: basis for antiviral drug design Protein Cell, 7, 2016
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2D2D
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![BU of 2d2d by Molmil](/molmil-images/mine/2d2d) | Crystal Structure Of SARS-CoV Mpro in Complex with an Inhibitor I2 | 分子名称: | 3C-like proteinase, ETHYL (2E,4S)-4-[((2R)-2-{[N-(TERT-BUTOXYCARBONYL)-L-VALYL]AMINO}-2-PHENYLETHANOYL)AMINO]-5-[(3S)-2-OXOPYRROLIDIN-3-YL]PENT-2-ENOATE | 著者 | Yang, H, Bartlam, M, Xue, X, Yang, K, Liang, W, Ding, Y, Rao, Z. | 登録日 | 2005-09-08 | 公開日 | 2005-09-20 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Design of Wide-Spectrum Inhibitors Targeting Coronavirus Main Proteases. Plos Biol., 3, 2005
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5EU8
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![BU of 5eu8 by Molmil](/molmil-images/mine/5eu8) | Structure of FIPV main protease in complex with dual inhibitors | 分子名称: | 1,2-ETHANEDIOL, N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)-4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE, ZINC ION, ... | 著者 | Wang, F, Chen, C, Liu, X, Yang, K, Xu, X, Yang, H. | 登録日 | 2015-11-18 | 公開日 | 2015-12-30 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.447 Å) | 主引用文献 | Crystal Structure of Feline Infectious Peritonitis Virus Main Protease in Complex with Synergetic Dual Inhibitors J.Virol., 90, 2015
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5GWY
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![BU of 5gwy by Molmil](/molmil-images/mine/5gwy) | Structure of Main Protease from Human Coronavirus NL63: Insights for Wide Spectrum Anti-Coronavirus Drug Design | 分子名称: | N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)-4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE, main protease | 著者 | Wang, F, Chen, C, Tan, W, Yang, K, Yang, H. | 登録日 | 2016-09-14 | 公開日 | 2017-09-20 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.852 Å) | 主引用文献 | Structure of Main Protease from Human Coronavirus NL63: Insights for Wide Spectrum Anti-Coronavirus Drug Design. Sci Rep, 6, 2016
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5GWZ
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![BU of 5gwz by Molmil](/molmil-images/mine/5gwz) | The structure of Porcine epidemic diarrhea virus main protease in complex with an inhibitor | 分子名称: | N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)-4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE, PEDV main protease | 著者 | Wang, F, Chen, C, Yang, K, Liu, X, Liu, H, Xu, Y, Chen, X, Liu, X, Cai, Y, Yang, H. | 登録日 | 2016-09-14 | 公開日 | 2017-03-29 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.444 Å) | 主引用文献 | Michael Acceptor-Based Peptidomimetic Inhibitor of Main Protease from Porcine Epidemic Diarrhea Virus J. Med. Chem., 60, 2017
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5GXJ
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![BU of 5gxj by Molmil](/molmil-images/mine/5gxj) | Zika Virus NS2B-NS3 protease | 分子名称: | FLAVIVIRUS_NS2B,LINKER,Peptidase S7 | 著者 | Yang, H, Chen, X, Ji, X, Xiong, Y, Yang, K. | 登録日 | 2016-09-18 | 公開日 | 2017-05-03 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Viral protease activation mechanism To Be Published
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2AMD
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![BU of 2amd by Molmil](/molmil-images/mine/2amd) | Crystal Structure Of SARS_CoV Mpro in Complex with an Inhibitor N9 | 分子名称: | 3C-like proteinase, N-(3-FUROYL)-D-VALYL-L-VALYL-N~1~-((1R,2Z)-4-ETHOXY-4-OXO-1-{[(3S)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-D-LEUCINAMIDE | 著者 | Yang, H, Xue, X, Yang, K, Zhao, Q, Bartlam, M, Rao, Z. | 登録日 | 2005-08-09 | 公開日 | 2005-09-13 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Design of Wide-Spectrum Inhibitors Targeting Coronavirus Main Proteases. Plos Biol., 3, 2005
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2AMQ
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![BU of 2amq by Molmil](/molmil-images/mine/2amq) | Crystal Structure Of SARS_CoV Mpro in Complex with an Inhibitor N3 | 分子名称: | 3C-like proteinase, N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)-4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE | 著者 | Yang, H, Xue, X, Yang, K, Zhao, Q, Bartlam, M, Rao, Z. | 登録日 | 2005-08-10 | 公開日 | 2005-09-13 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Design of Wide-Spectrum Inhibitors Targeting Coronavirus Main Proteases. Plos Biol., 3, 2005
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2AMP
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![BU of 2amp by Molmil](/molmil-images/mine/2amp) | Crystal Structure Of Porcine Transmissible Gastroenteritis Virus Mpro in Complex with an Inhibitor N1 | 分子名称: | 3C-like proteinase, N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]-L-ALANYL-L-VALYL-N~1~-((1S)-4-ETHOXY-4-OXO-1-{[(3S)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE | 著者 | Yang, H, Xue, X, Yang, K, Zhao, Q, Bartlam, M, Rao, Z. | 登録日 | 2005-08-10 | 公開日 | 2005-09-13 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Design of Wide-Spectrum Inhibitors Targeting Coronavirus Main Proteases. Plos Biol., 3, 2005
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9BRU
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![BU of 9bru by Molmil](/molmil-images/mine/9bru) | Intact V-ATPase State 1 in synaptophysin knock-out isolated synaptic vesicles | 分子名称: | Renin receptor cytoplasmic fragment, Ribonuclease kappa, V-type proton ATPase 116 kDa subunit a 1, ... | 著者 | Wang, C, Jiang, W, Yang, K, Wang, X, Guo, Q, Brunger, A.T. | 登録日 | 2024-05-11 | 公開日 | 2024-06-19 | 実験手法 | ELECTRON MICROSCOPY (4.4 Å) | 主引用文献 | Structure and topography of the synaptic V-ATPase-synaptophysin complex. Nature, 2024
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9BRT
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![BU of 9brt by Molmil](/molmil-images/mine/9brt) | Intact V-ATPase State 1 and synaptophysin complex in mouse brain isolated synaptic vesicles | 分子名称: | Renin receptor cytoplasmic fragment, Ribonuclease kappa, Synaptophysin, ... | 著者 | Wang, C, Jiang, W, Yang, K, Wang, X, Guo, Q, Brunger, A.T. | 登録日 | 2024-05-11 | 公開日 | 2024-06-19 | 実験手法 | ELECTRON MICROSCOPY (4.3 Å) | 主引用文献 | Structure and topography of the synaptic V-ATPase-synaptophysin complex. Nature, 2024
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9BRS
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![BU of 9brs by Molmil](/molmil-images/mine/9brs) | Intact V-ATPase State 2 in synaptophysin knock-out isolated synaptic vesicles | 分子名称: | Renin receptor cytoplasmic fragment, Ribonuclease kappa, V-type proton ATPase 116 kDa subunit a 1, ... | 著者 | Wang, C, Jiang, W, Yang, K, Wang, X, Guo, Q, Brunger, A.T. | 登録日 | 2024-05-11 | 公開日 | 2024-06-19 | 実験手法 | ELECTRON MICROSCOPY (4.4 Å) | 主引用文献 | Structure and topography of the synaptic V-ATPase-synaptophysin complex. Nature, 2024
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9BRA
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![BU of 9bra by Molmil](/molmil-images/mine/9bra) | Intact V-ATPase State 2 and synaptophysin complex in mouse brain isolated synaptic vesicles | 分子名称: | Renin receptor cytoplasmic fragment, Ribonuclease kappa, Synaptophysin, ... | 著者 | Wang, C, Jiang, W, Yang, K, Wang, X, Guo, Q, Brunger, A.T. | 登録日 | 2024-05-11 | 公開日 | 2024-06-19 | 実験手法 | ELECTRON MICROSCOPY (4.3 Å) | 主引用文献 | Structure and topography of the synaptic V-ATPase-synaptophysin complex. Nature, 2024
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9BRY
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![BU of 9bry by Molmil](/molmil-images/mine/9bry) | V0-only V-ATPase in synaptophysin gene knock-out mouse brain isolated synaptic vesicles | 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)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Wang, C, Jiang, W, Yang, K, Wang, X, Guo, Q, Brunger, A.T. | 登録日 | 2024-05-12 | 公開日 | 2024-06-19 | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | 主引用文献 | Structure and topography of the synaptic V-ATPase-synaptophysin complex. Nature, 2024
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9BRR
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![BU of 9brr by Molmil](/molmil-images/mine/9brr) | Intact V-ATPase State 3 in synaptophysin knock-out isolated synaptic vesicles | 分子名称: | Renin receptor cytoplasmic fragment, Ribonuclease kappa, V-type proton ATPase 116 kDa subunit a 1, ... | 著者 | Wang, C, Jiang, W, Yang, K, Wang, X, Guo, Q, Brunger, A.T. | 登録日 | 2024-05-11 | 公開日 | 2024-06-19 | 実験手法 | ELECTRON MICROSCOPY (4.5 Å) | 主引用文献 | Structure and topography of the synaptic V-ATPase-synaptophysin complex. Nature, 2024
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9BRQ
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![BU of 9brq by Molmil](/molmil-images/mine/9brq) | Intact V-ATPase State 3 and synaptophysin complex in mouse brain isolated synaptic vesicles | 分子名称: | Renin receptor cytoplasmic fragment, Ribonuclease kappa, Synaptophysin, ... | 著者 | Wang, C, Jiang, W, Yang, K, Wang, X, Guo, Q, Brunger, A.T. | 登録日 | 2024-05-11 | 公開日 | 2024-06-19 | 実験手法 | ELECTRON MICROSCOPY (4.3 Å) | 主引用文献 | Structure and topography of the synaptic V-ATPase-synaptophysin complex. Nature, 2024
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9BRZ
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![BU of 9brz by Molmil](/molmil-images/mine/9brz) | V0-only V-ATPase and synaptophysin complex in mouse brain isolated synaptic vesicles | 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)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Wang, C, Jiang, W, Yang, K, Wang, X, Guo, Q, Brunger, A.T. | 登録日 | 2024-05-12 | 公開日 | 2024-06-19 | 実験手法 | ELECTRON MICROSCOPY (3.8 Å) | 主引用文献 | Structure and topography of the synaptic V-ATPase-synaptophysin complex. Nature, 2024
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4WCW
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![BU of 4wcw by Molmil](/molmil-images/mine/4wcw) | Ribosomal silencing factor during starvation or stationary phase (RsfS) from Mycobacterium tuberculosis | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, MAGNESIUM ION, Ribosomal silencing factor RsfS | 著者 | Li, X, Sun, Q, Jiang, C, Yang, K, Hung, L, Zhang, J, Sacchettini, J, TB Structural Genomics Consortium (TBSGC) | 登録日 | 2014-09-05 | 公開日 | 2014-09-24 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structure of Ribosomal Silencing Factor Bound to Mycobacterium tuberculosis Ribosome. Structure, 23, 2015
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3V3E
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![BU of 3v3e by Molmil](/molmil-images/mine/3v3e) | Crystal Structure of the Human Nur77 Ligand-binding Domain | 分子名称: | GLYCEROL, Nuclear receptor subfamily 4 group A member 1 | 著者 | Zhang, Q, Shi, C, Yang, K, Chen, Y, Zhan, Y, Wu, Q, Lin, T. | 登録日 | 2011-12-13 | 公開日 | 2012-09-26 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.06 Å) | 主引用文献 | The orphan nuclear receptor Nur77 regulates LKB1 localization and activates AMPK Nat.Chem.Biol., 8, 2012
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3V3Q
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![BU of 3v3q by Molmil](/molmil-images/mine/3v3q) | Crystal Structure of Human Nur77 Ligand-binding Domain in Complex with Ethyl 2-[2,3,4 trimethoxy-6(1-octanoyl)phenyl]acetate | 分子名称: | GLYCEROL, Nuclear receptor subfamily 4 group A member 1, SODIUM ION, ... | 著者 | Zhang, Q, Shi, C, Yang, K, Chen, Y, Zhan, Y, Wu, Q, Lin, T. | 登録日 | 2011-12-14 | 公開日 | 2012-09-26 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.22 Å) | 主引用文献 | The orphan nuclear receptor Nur77 regulates LKB1 localization and activates AMPK Nat.Chem.Biol., 8, 2012
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5Z0V
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![BU of 5z0v by Molmil](/molmil-images/mine/5z0v) | Structural insight into the Zika virus capsid encapsulating the viral genome | 分子名称: | Extracellular solute-binding protein family 1,viral genome protein, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | 著者 | Li, T, Zhao, Q, Yang, X, Chen, C, Yang, K, Wu, C, Zhang, T, Duan, Y, Xue, X, Mi, K, Ji, X, Wang, Z, Yang, H. | 登録日 | 2017-12-21 | 公開日 | 2018-04-11 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.913 Å) | 主引用文献 | Structural insight into the Zika virus capsid encapsulating the viral genome. Cell Res., 28, 2018
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