1P69
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![BU of 1p69 by Molmil](/molmil-images/mine/1p69) | STRUCTURAL BASIS FOR VARIATION IN ADENOVIRUS AFFINITY FOR THE CELLULAR RECEPTOR CAR (P417S MUTANT) | 分子名称: | Coxsackievirus and adenovirus receptor, Fiber protein | 著者 | Howitt, J, Bewley, M.C, Graziano, V, Flanagan, J.M, Freimuth, P. | 登録日 | 2003-04-29 | 公開日 | 2004-05-11 | 最終更新日 | 2018-08-22 | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | 主引用文献 | Structural basis for variation in adenovirus affinity for the cellular coxsackievirus and adenovirus receptor. J.Biol.Chem., 278, 2003
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2C2T
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![BU of 2c2t by Molmil](/molmil-images/mine/2c2t) | Human Dihydrofolate Reductase Complexed With NADPH and 2,4-Diamino-5-((7,8-dicarbaundecaboran-7-yl)methyl)-6-methylpyrimidine, a novel boron containing, nonclassical Antifolate | 分子名称: | (S)-2,4-DIAMINO-5-((7,8-DICARBAUNDECABORAN-7-YL)METHYL)-6-METHYLPYRIMIDINE, DIHYDROFOLATE REDUCTASE, GLYCEROL, ... | 著者 | leung, A.K.W, reynolds, R.C, riordan, J.M, borhani, D.W. | 登録日 | 2005-09-30 | 公開日 | 2007-04-10 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Novel Boron-Containing, Nonclassical Antifolates: Synthesis and Preliminary Biological and Structural Evaluation. J.Med.Chem., 50, 2007
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2BHD
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![BU of 2bhd by Molmil](/molmil-images/mine/2bhd) | Mg substituted E. coli Aminopeptidase P in complex with product | 分子名称: | CITRATE ANION, MAGNESIUM ION, VALINE-PROLINE-LEUCINE TRIPEPTIDE, ... | 著者 | Graham, S.C, Bond, C.S, Freeman, H.C, Guss, J.M. | 登録日 | 2005-01-10 | 公開日 | 2005-09-29 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Structural and Functional Implications of Metal Ion Selection in Aminopeptidase P, a Metalloprotease with a Dinuclear Metal Center. Biochemistry, 44, 2005
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2BNR
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![BU of 2bnr by Molmil](/molmil-images/mine/2bnr) | Structural and kinetic basis for heightened immunogenicity of T cell vaccines | 分子名称: | BETA-2-MICROGLOBULIN, HLA CLASS I HISTOCOMPATIBILITY ANTIGEN, SYNTHETIC PEPTIDE, ... | 著者 | Chen, J.-L, Stewart-Jones, G, Bossi, G, Lissin, N.M, Wooldridge, L, Choi, E.M.L, Held, G, Dunbar, P.R, Esnouf, R.M, Sami, M, Boultier, J.M, Rizkallah, P.J, Renner, C, Sewell, A, van der Merwe, P.A, Jackobsen, B.K, Griffiths, G, Jones, E.Y, Cerundolo, V. | 登録日 | 2005-03-31 | 公開日 | 2005-05-23 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structural and Kinetic Basis for Heightened Immunogenicity of T Cell Vaccines J.Exp.Med., 201, 2005
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7KV9
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![BU of 7kv9 by Molmil](/molmil-images/mine/7kv9) | Chimeric flavivirus between Binjari virus and West Nile (Kunjin) virus | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Matrix protein M, envelope protein E | 著者 | Hardy, J.M, Venugopal, H.V, Newton, N.D, Watterson, D, Coulibaly, F.J. | 登録日 | 2020-11-27 | 公開日 | 2020-12-23 | 最終更新日 | 2021-07-14 | 実験手法 | ELECTRON MICROSCOPY (2.9 Å) | 主引用文献 | A unified route for flavivirus structures uncovers essential pocket factors conserved across pathogenic viruses. Nat Commun, 12, 2021
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2BHB
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![BU of 2bhb by Molmil](/molmil-images/mine/2bhb) | Zn substituted E. coli Aminopeptidase P | 分子名称: | (4R)-2-METHYLPENTANE-2,4-DIOL, CITRATE ANION, MAGNESIUM ION, ... | 著者 | Graham, S.C, Bond, C.S, Freeman, H.C, Guss, J.M. | 登録日 | 2005-01-08 | 公開日 | 2005-09-29 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.41 Å) | 主引用文献 | Structural and Functional Implications of Metal Ion Selection in Aminopeptidase P, a Metalloprotease with a Dinuclear Metal Center. Biochemistry, 44, 2005
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7KVA
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![BU of 7kva by Molmil](/molmil-images/mine/7kva) | Structure of West Nile virus (Kunjin) | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope protein E, Matrix protein M | 著者 | Hardy, J.M, Venugopal, H.V, Newton, N.D, Watterson, D, Coulibaly, F.J. | 登録日 | 2020-11-27 | 公開日 | 2020-12-23 | 最終更新日 | 2021-07-14 | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | 主引用文献 | A unified route for flavivirus structures uncovers essential pocket factors conserved across pathogenic viruses. Nat Commun, 12, 2021
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7KV8
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![BU of 7kv8 by Molmil](/molmil-images/mine/7kv8) | Chimeric flavivirus between Binjari virus and Dengue virus serotype-2 | 分子名称: | (2S,3R,4Z)-3-hydroxy-2-[(9E)-octadec-9-enoylamino]octadec-4-en-1-yl dihydrogen phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope protein E, ... | 著者 | Hardy, J.M, Venugopal, H.V, Newton, N.D, Watterson, D, Coulibaly, F.J. | 登録日 | 2020-11-27 | 公開日 | 2020-12-23 | 最終更新日 | 2021-11-24 | 実験手法 | ELECTRON MICROSCOPY (2.5 Å) | 主引用文献 | A unified route for flavivirus structures uncovers essential pocket factors conserved across pathogenic viruses. Nat Commun, 12, 2021
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5TG6
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![BU of 5tg6 by Molmil](/molmil-images/mine/5tg6) | OXA-24/40 in Complex with Boronic Acid BA4 | 分子名称: | BICARBONATE ION, Beta-lactamase, SULFATE ION, ... | 著者 | Powers, R.A, Werner, J.P, Mitchell, J.M. | 登録日 | 2016-09-27 | 公開日 | 2017-01-11 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | 主引用文献 | Exploring the potential of boronic acids as inhibitors of OXA-24/40 beta-lactamase. Protein Sci., 26, 2017
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7L1U
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![BU of 7l1u by Molmil](/molmil-images/mine/7l1u) | Orexin Receptor 2 (OX2R) in Complex with G Protein and Natural Peptide-Agonist Orexin B (OxB) | 分子名称: | Engineered Guanine nucleotide-binding protein subunit alpha, 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, ... | 著者 | Hong, C, Byrne, N.J, Zamlynny, B, Tummala, S, Xiao, L, Shipman, J.M, Partridge, A.T, Minnick, C, Breslin, M.J, Rudd, M.T, Stachel, S.J, Rada, V.L, Kern, J.C, Armacost, K.A, Hollingsworth, S.A, O'Brien, J.A, Hall, D.L, McDonald, T.P, Strickland, C, Brooun, A, Soisson, S.M, Hollenstein, K. | 登録日 | 2020-12-15 | 公開日 | 2021-02-10 | 最終更新日 | 2021-02-17 | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | 主引用文献 | Structures of active-state orexin receptor 2 rationalize peptide and small-molecule agonist recognition and receptor activation. Nat Commun, 12, 2021
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7L1V
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![BU of 7l1v by Molmil](/molmil-images/mine/7l1v) | Orexin Receptor 2 (OX2R) in Complex with G Protein and Small-Molecule Agonist Compound 1 | 分子名称: | 4'-methoxy-N,N-dimethyl-3'-{[3-(2-{[2-(2H-1,2,3-triazol-2-yl)benzene-1-carbonyl]amino}ethyl)phenyl]sulfamoyl}[1,1'-biphenyl]-3-carboxamide, Engineered Guanine nucleotide-binding protein subunit alpha, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | 著者 | Hong, C, Byrne, N.J, Zamlynny, B, Tummala, S, Xiao, L, Shipman, J.M, Partridge, A.T, Minnick, C, Breslin, M.J, Rudd, M.T, Stachel, S.J, Rada, V.L, Kern, J.C, Armacost, K.A, Hollingsworth, S.A, O'Brien, J.A, Hall, D.L, McDonald, T.P, Strickland, C, Brooun, A, Soisson, S.M, Hollenstein, K. | 登録日 | 2020-12-15 | 公開日 | 2021-02-10 | 最終更新日 | 2021-02-17 | 実験手法 | ELECTRON MICROSCOPY (3 Å) | 主引用文献 | Structures of active-state orexin receptor 2 rationalize peptide and small-molecule agonist recognition and receptor activation. Nat Commun, 12, 2021
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5T42
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![BU of 5t42 by Molmil](/molmil-images/mine/5t42) | Structure of the Ebola virus envelope protein MPER/TM domain and its interaction with the fusion loop explains their fusion activity | 分子名称: | Envelope glycoprotein | 著者 | Lee, J, Nyenhuis, D.A, Nelson, E.A, Cafiso, D.S, White, J.M, Tamm, L.K. | 登録日 | 2016-08-28 | 公開日 | 2017-08-30 | 最終更新日 | 2024-05-15 | 実験手法 | SOLUTION NMR | 主引用文献 | Structure of the Ebola virus envelope protein MPER/TM domain and its interaction with the fusion loop explains their fusion activity. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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7L0D
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![BU of 7l0d by Molmil](/molmil-images/mine/7l0d) | SARS-CoV-2 Main Protease (Mpro) in Complex with ML188 | 分子名称: | 3C-like proteinase, N-[(1R)-2-(tert-butylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-N-(4-tert-butylphenyl)furan-2-carboxamide | 著者 | Lockbaum, G.J, Lee, J.M, Reyes, A.C, Nalivaika, E.A, Ali, A, Yilmaz, N.K, Thompson, P.R, Schiffer, C.A. | 登録日 | 2020-12-11 | 公開日 | 2021-02-10 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.39 Å) | 主引用文献 | Crystal Structure of SARS-CoV-2 Main Protease in Complex with the Non-Covalent Inhibitor ML188. Viruses, 13, 2021
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5TVS
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![BU of 5tvs by Molmil](/molmil-images/mine/5tvs) | JMJD2A in complex with Ni(II) | 分子名称: | Lysine-specific demethylase 4A, NICKEL (II) ION, ZINC ION | 著者 | Cascella, B, Lee, S.G, Jez, J.M. | 登録日 | 2016-11-09 | 公開日 | 2017-02-01 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.745 Å) | 主引用文献 | The small molecule JIB-04 disrupts O2 binding in the Fe-dependent histone demethylase KDM4A/JMJD2A. Chem. Commun. (Camb.), 53, 2017
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5TWP
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![BU of 5twp by Molmil](/molmil-images/mine/5twp) | Pre-catalytic ternary complex of human Polymerase Mu with incoming nonhydrolyzable UMPNPP | 分子名称: | 1,2-ETHANEDIOL, 5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]uridine, DNA (5'-D(*CP*GP*GP*CP*AP*TP*AP*CP*G)-3'), ... | 著者 | Moon, A.F, Pryor, J.M, Ramsden, D.A, Kunkel, T.A, Bebenek, K, Pedersen, L.C. | 登録日 | 2016-11-14 | 公開日 | 2017-07-05 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.001 Å) | 主引用文献 | Structural accommodation of ribonucleotide incorporation by the DNA repair enzyme polymerase Mu. Nucleic Acids Res., 45, 2017
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7KHL
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![BU of 7khl by Molmil](/molmil-images/mine/7khl) | BRD4-BD1 Compound6 (methyl 4-(3,5-difluoropyridin-2-yl)-10-methyl-7-((methylsulfonyl)methyl)-11-oxo-3,4,10,11-tetrahydro-1H-1,4,10-triazadibenzo[cd,f]azulene-6-carboxylate) | 分子名称: | Bromodomain-containing protein 4, GLYCEROL, methyl 7-(3,5-difluoropyridin-2-yl)-2-methyl-10-[(methylsulfonyl)methyl]-3-oxo-3,4,6,7-tetrahydro-2H-2,4,7-triazadibenzo[cd,f]azulene-9-carboxylate | 著者 | Murray, J.M. | 登録日 | 2020-10-21 | 公開日 | 2021-02-24 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.286 Å) | 主引用文献 | Antibody-Mediated Delivery of Chimeric BRD4 Degraders. Part 2: Improvement of In Vitro Antiproliferation Activity and In Vivo Antitumor Efficacy. J.Med.Chem., 64, 2021
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5TVR
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![BU of 5tvr by Molmil](/molmil-images/mine/5tvr) | JMJD2A in complex with Ni(II) and alpha-Ketoglutarate | 分子名称: | 2-OXOGLUTARIC ACID, Lysine-specific demethylase 4A, NICKEL (II) ION, ... | 著者 | Cascella, B, Lee, S.G, Jez, J.M. | 登録日 | 2016-11-09 | 公開日 | 2017-02-01 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.093 Å) | 主引用文献 | The small molecule JIB-04 disrupts O2 binding in the Fe-dependent histone demethylase KDM4A/JMJD2A. Chem. Commun. (Camb.), 53, 2017
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7KHH
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![BU of 7khh by Molmil](/molmil-images/mine/7khh) | Ternary complex of VHL/BRD4-BD1/Compound9 (4-(3,5-difluoropyridin-2-yl)-N-(11-(((S)-1-((2S,4R)-4-hydroxy-2-((4-(4-methylthiazol-5-yl)benzyl)carbamoyl)pyrrolidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl)amino)-11-oxoundecyl)-10-methyl-7-((methylsulfonyl)methyl)-11-oxo-3,4,10,11-tetrahydro-1H-1,4,10-triazadibenzo[cd,f]azulene-6-carboxamide) | 分子名称: | Bromodomain-containing protein 4, Elongin-B, Elongin-C, ... | 著者 | Murray, J.M. | 登録日 | 2020-10-21 | 公開日 | 2021-02-24 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.281 Å) | 主引用文献 | Antibody-Mediated Delivery of Chimeric BRD4 Degraders. Part 2: Improvement of In Vitro Antiproliferation Activity and In Vivo Antitumor Efficacy. J.Med.Chem., 64, 2021
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5U6I
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![BU of 5u6i by Molmil](/molmil-images/mine/5u6i) | Discovery of MLi-2, an Orally Available and Selective LRRK2 Inhibitor that Reduces Brain Kinase Activity | 分子名称: | 3-[2-(morpholin-4-yl)pyridin-4-yl]-5-[(propan-2-yl)oxy]-1H-indazole, Mitogen-activated protein kinase 1, SULFATE ION | 著者 | Scott, J.D, DeMong, D.E, Fell, M.J, Mirescu, C, Basu, K, Greshock, T.J, Morrow, J.A, Xiao, L, Hruza, A, Harris, J, Tiscia, H.E, Chang, R.K, Embrey, M.W, McCauley, J.A, Li, W, Lin, S, Liu, H, Dai, X, Baptista, M, Agnihotri, G, Columbus, J, Mei, H, Poirier, M, Zhou, X, Lin, Y, Yin, Z, Sanders, J.M, Drolet, R.E, Kern, J.T, Kennedy, M.E, Parker, E.M, Stamford, A.W, Nargund, R, Miller, M.W. | 登録日 | 2016-12-08 | 公開日 | 2017-03-15 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | 主引用文献 | Discovery of a 3-(4-Pyrimidinyl) Indazole (MLi-2), an Orally Available and Selective Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitor that Reduces Brain Kinase Activity. J. Med. Chem., 60, 2017
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2BCV
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![BU of 2bcv by Molmil](/molmil-images/mine/2bcv) | DNA polymerase lambda in complex with Dttp and a DNA duplex containing an unpaired Dtmp | 分子名称: | 5'-D(*CP*AP*GP*TP*AP*(O2C))-3', 5'-D(*CP*GP*GP*CP*AP*GP*TP*TP*AP*CP*TP*G)-3', 5'-D(P*GP*CP*CP*G)-3', ... | 著者 | Garcia-Diaz, M, Bebenek, K, Krahn, J.M, Pedersen, L.C, Kunkel, T.A. | 登録日 | 2005-10-19 | 公開日 | 2006-03-07 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structural analysis of strand misalignment during DNA synthesis by a human DNA polymerase Cell(Cambridge,Mass.), 124, 2006
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5TWR
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![BU of 5twr by Molmil](/molmil-images/mine/5twr) | Pre-catalytic ternary complex of human Polymerase Mu (H329A) mutant with incoming nonhydrolyzable UMPNPP | 分子名称: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]uridine, ... | 著者 | Moon, A.F, Pryor, J.M, Ramsden, D.A, Kunkel, T.A, Bebenek, K, Pedersen, L.C. | 登録日 | 2016-11-14 | 公開日 | 2017-07-05 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structural accommodation of ribonucleotide incorporation by the DNA repair enzyme polymerase Mu. Nucleic Acids Res., 45, 2017
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7L30
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![BU of 7l30 by Molmil](/molmil-images/mine/7l30) | Binjari virus (BinJV) | 分子名称: | Envelope protein E, prM protein | 著者 | Hardy, J.M, Venugopal, H.V, Newton, N.D, Watterson, D, Coulibaly, F.J. | 登録日 | 2020-12-17 | 公開日 | 2021-03-10 | 最終更新日 | 2021-05-26 | 実験手法 | ELECTRON MICROSCOPY (4.4 Å) | 主引用文献 | The structure of an infectious immature flavivirus redefines viral architecture and maturation. Sci Adv, 7, 2021
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5UA6
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![BU of 5ua6 by Molmil](/molmil-images/mine/5ua6) | Ocellatin-LB1, solution structure in SDS micelle by NMR spectroscopy | 分子名称: | Ocellatin-LB1 | 著者 | Gusmao, K.A.G, dos Santos, D.M, Santos, V.M, Pilo-Veloso, D, de Lima, M.E, Resende, J.M. | 登録日 | 2016-12-19 | 公開日 | 2017-03-29 | 最終更新日 | 2018-04-18 | 実験手法 | SOLUTION NMR | 主引用文献 | NMR structures in different membrane environments of three ocellatin peptides isolated from Leptodactylus labyrinthicus. Peptides, 103, 2018
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7KYL
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![BU of 7kyl by Molmil](/molmil-images/mine/7kyl) | Powassan virus Envelope protein DIII in complex with neutralizing Fab POWV-80 | 分子名称: | CHLORIDE ION, Envelope protein domain III, POWV-80 Fab heavy chain, ... | 著者 | Errico, J.M, Nelson, C.A, Fremont, D.H, Center for Structural Genomics of Infectious Diseases (CSGID) | 登録日 | 2020-12-08 | 公開日 | 2021-04-07 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Broadly neutralizing monoclonal antibodies protect against multiple tick-borne flaviviruses. J.Exp.Med., 218, 2021
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5U9R
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![BU of 5u9r by Molmil](/molmil-images/mine/5u9r) | Ocellatin-LB2, solution structure in TFE by NMR spectroscopy | 分子名称: | Ocellatin-LB2 | 著者 | Gusmao, K.A.G, dos Santos, D.M, Santos, V.M, Pilo-Veloso, D, Verly, R.M, de Lima, M.E, Resende, J.M. | 登録日 | 2016-12-18 | 公開日 | 2017-03-29 | 最終更新日 | 2018-04-18 | 実験手法 | SOLUTION NMR | 主引用文献 | NMR structures in different membrane environments of three ocellatin peptides isolated from Leptodactylus labyrinthicus. Peptides, 103, 2018
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