7RZF
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![BU of 7rzf by Molmil](/molmil-images/mine/7rzf) | Insulin Degrading Enzyme O/pC | 分子名称: | Cysteine-free Insulin-degrading enzyme, Insulin A chain, Insulin B chain | 著者 | Mancl, J.M, Liang, W.G, Tang, W.J. | 登録日 | 2021-08-27 | 公開日 | 2022-08-31 | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | 主引用文献 | Ensemble cryoEM reveals a substrate-induced shift in the conformational dynamics of human insulin degrading enzyme To be published
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7RZG
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![BU of 7rzg by Molmil](/molmil-images/mine/7rzg) | Insulin Degrading Enzyme O/pO | 分子名称: | Cysteine-free Insulin-degrading enzyme | 著者 | Mancl, J.M, Liang, W.G, Tang, W.J. | 登録日 | 2021-08-27 | 公開日 | 2022-08-31 | 最終更新日 | 2024-06-05 | 実験手法 | ELECTRON MICROSCOPY (4.1 Å) | 主引用文献 | Ensemble cryoEM reveals a substrate-induced shift in the conformational dynamics of human insulin degrading enzyme To be published
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5QIE
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![BU of 5qie by Molmil](/molmil-images/mine/5qie) | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of HAO1 in complex with Z2856434894 | 分子名称: | FLAVIN MONONUCLEOTIDE, Hydroxyacid oxidase 1, ~{N},~{N}-dimethyl-4-[(propan-2-ylamino)methyl]aniline | 著者 | MacKinnon, S, Bezerra, G.A, Krojer, T, Bradley, A.R, Talon, R, Brandao-Neto, J, Douangamath, A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Oppermann, U, Brennan, P.E, Yue, W.W. | 登録日 | 2018-05-22 | 公開日 | 2018-07-18 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.34 Å) | 主引用文献 | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) To Be Published
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3N86
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![BU of 3n86 by Molmil](/molmil-images/mine/3n86) | Crystal structure of 3-dehydroquinate dehydratase from Mycobacterium tuberculosis in complex with inhibitor 4 | 分子名称: | (1R,5R)-1,5-dihydroxy-4-oxo-3-[3-oxo-3-(phenylamino)propyl]cyclohex-2-ene-1-carboxylic acid, 3-dehydroquinate dehydratase | 著者 | Dias, M.V.B, Snee, W.C, Bromfield, K.M, Payne, R, Palaninathan, S.K, Ciulli, A, Howard, N.I, Abell, C, Sacchettini, J.C, Blundell, T.L. | 登録日 | 2010-05-27 | 公開日 | 2011-05-11 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structural investigation of inhibitor designs targeting 3-dehydroquinate dehydratase from the shikimate pathway of Mycobacterium tuberculosis. Biochem.J., 436, 2011
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7VVE
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![BU of 7vve by Molmil](/molmil-images/mine/7vve) | Complex structure of a leaf-branch compost cutinase variant in complex with mono(2-hydroxyethyl) terephthalic acid | 分子名称: | 2-(2-METHOXYETHOXY)ETHANOL, 4-(2-hydroxyethyloxycarbonyl)benzoic acid, CALCIUM ION, ... | 著者 | Niu, D, Zeng, W, Huang, J.W, Chen, C.C, Liu, W.D, Guo, R.T. | 登録日 | 2021-11-05 | 公開日 | 2022-03-09 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | 主引用文献 | Substrate-Binding Mode of a Thermophilic PET Hydrolase and Engineering the Enzyme to Enhance the Hydrolytic Efficacy. Acs Catalysis, 12, 2022
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8T6L
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![BU of 8t6l by Molmil](/molmil-images/mine/8t6l) | Cryo-EM structure of rat cardiac sodium channel NaV1.5 with batrachotoxin analog BTX-B | 分子名称: | (1R)-1-[(5aR,7aR,9R,11aS,11bS,12R,13aR)-9,12-dihydroxy-2,11a-dimethyl-1,2,3,4,7a,8,9,10,11,11a,12,13-dodecahydro-7H-9,11b-epoxy-13a,5a-prop[1]enophenanthro[2,1-f][1,4]oxazepin-14-yl]ethyl benzoate, (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, ... | 著者 | Tonggu, L, Wisedchaisri, G, Gamal El-Din, T.M, Zheng, N, Catterall, W.A. | 登録日 | 2023-06-16 | 公開日 | 2024-03-06 | 最終更新日 | 2024-03-27 | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | 主引用文献 | Dual receptor-sites reveal the structural basis for hyperactivation of sodium channels by poison-dart toxin batrachotoxin. Nat Commun, 15, 2024
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8TEP
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![BU of 8tep by Molmil](/molmil-images/mine/8tep) | Human cytomegalovirus portal vertex, virion configuration 1 (VC1) | 分子名称: | Capsid vertex component 1, Capsid vertex component 2, Inner tegument protein, ... | 著者 | Jih, J, Liu, Y.T, Liu, W, Zhou, H. | 登録日 | 2023-07-06 | 公開日 | 2024-03-06 | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | 主引用文献 | The incredible bulk: Human cytomegalovirus tegument architectures uncovered by AI-empowered cryo-EM. Sci Adv, 10, 2024
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1O2W
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![BU of 1o2w by Molmil](/molmil-images/mine/1o2w) | Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors | 分子名称: | 2-(3-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-5-BROMO-4-OXIDOPHENYL)SUCCINATE, BETA-TRYPSIN, CALCIUM ION, ... | 著者 | Katz, B.A, Elrod, K, Verner, E, Mackman, R.L, Luong, C, Shrader, W.D, Sendzik, M, Spencer, J.R, Sprengeler, P.A, Kolesnikov, A, Tai, V.W, Hui, H.C, Breitenbucher, J.G, Allen, D, Janc, J.W. | 登録日 | 2003-03-06 | 公開日 | 2003-09-02 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.38 Å) | 主引用文献 | Elaborate manifold of short hydrogen bond arrays mediating binding of active site-directed serine protease
inhibitors. J.Mol.Biol., 329, 2003
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1O34
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![BU of 1o34 by Molmil](/molmil-images/mine/1o34) | Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors | 分子名称: | 2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}PYRIDIN-3-OLATE, BETA-TRYPSIN, CALCIUM ION, ... | 著者 | Katz, B.A, Elrod, K, Verner, E, Mackman, R.L, Luong, C, Shrader, W.D, Sendzik, M, Spencer, J.R, Sprengeler, P.A, Kolesnikov, A, Tai, V.W, Hui, H.C, Breitenbucher, J.G, Allen, D, Janc, J.W. | 登録日 | 2003-03-06 | 公開日 | 2003-09-02 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Elaborate manifold of short hydrogen bond arrays mediating binding of active site-directed serine protease
inhibitors. J.Mol.Biol., 329, 2003
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1O3B
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![BU of 1o3b by Molmil](/molmil-images/mine/1o3b) | Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors | 分子名称: | 3-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-1,1'-BIPHENYL-2-OLATE, BETA-TRYPSIN, CALCIUM ION, ... | 著者 | Katz, B.A, Elrod, K, Verner, E, Mackman, R.L, Luong, C, Shrader, W.D, Sendzik, M, Spencer, J.R, Sprengeler, P.A, Kolesnikov, A, Tai, V.W, Hui, H.C, Breitenbucher, J.G, Allen, D, Janc, J.W. | 登録日 | 2003-03-06 | 公開日 | 2003-09-02 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Elaborate manifold of short hydrogen bond arrays mediating binding of active site-directed serine protease
inhibitors. J.Mol.Biol., 329, 2003
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1O3J
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![BU of 1o3j by Molmil](/molmil-images/mine/1o3j) | Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors | 分子名称: | 2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-6-BROMO-4-METHYLBENZENOLATE, BETA-TRYPSIN, CALCIUM ION | 著者 | Katz, B.A, Elrod, K, Verner, E, Mackman, R.L, Luong, C, Shrader, W.D, Sendzik, M, Spencer, J.R, Sprengeler, P.A, Kolesnikov, A, Tai, V.W, Hui, H.C, Breitenbucher, J.G, Allen, D, Janc, J.W. | 登録日 | 2003-03-06 | 公開日 | 2003-09-02 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Elaborate manifold of short hydrogen bond arrays mediating binding of active site-directed serine protease
inhibitors. J.Mol.Biol., 329, 2003
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7VJ8
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![BU of 7vj8 by Molmil](/molmil-images/mine/7vj8) | SFX structure of archaeal class II CPD photolyase from Methanosarcina mazei in the oxidized state | 分子名称: | DNA photolyase, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION | 著者 | Maestre-Reyna, M, Yang, C.-H, Huang, W.C, Nango, E, Gusti-Ngurah-Putu, E.-P, Franz-Badur, S, Wu, W.-J, Wu, H.-Y, Wang, P.-H, Liao, J.-H, Lee, C.-C, Huang, K.-F, Chang, Y.-K, Weng, J.-H, Sugahara, M, Owada, S, Joti, Y, Tanaka, R, Tono, K, Kiontke, S, Yamamoto, J, Iwata, S, Essen, L.-O, Bessho, Y, Tsai, M.-D. | 登録日 | 2021-09-28 | 公開日 | 2022-03-09 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Serial crystallography captures dynamic control of sequential electron and proton transfer events in a flavoenzyme. Nat.Chem., 14, 2022
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7VJ6
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![BU of 7vj6 by Molmil](/molmil-images/mine/7vj6) | SFX structure of archaeal class II CPD photolyase from Methanosarcina mazei in the semiquinone state | 分子名称: | DNA photolyase, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION | 著者 | Maestre-Reyna, M, Yang, C.-H, Huang, W.C, Nango, E, Gusti-Ngurah-Putu, E.-P, Franz-Badur, S, Wu, W.-J, Wu, H.-Y, Wang, P.-H, Liao, J.-H, Lee, C.-C, Huang, K.-F, Chang, Y.-K, Weng, J.-H, Sugahara, M, Owada, S, Joti, Y, Tanaka, R, Tono, K, Kiontke, S, Yamamoto, J, Iwata, S, Essen, L.-O, Bessho, Y, Tsai, M.-D. | 登録日 | 2021-09-28 | 公開日 | 2022-03-09 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Serial crystallography captures dynamic control of sequential electron and proton transfer events in a flavoenzyme. Nat.Chem., 14, 2022
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1BF3
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![BU of 1bf3 by Molmil](/molmil-images/mine/1bf3) | P-HYDROXYBENZOATE HYDROXYLASE (PHBH) MUTANT WITH CYS 116 REPLACED BY SER (C116S) AND ARG 42 REPLACED BY LYS (R42K), IN COMPLEX WITH FAD AND 4-HYDROXYBENZOIC ACID | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, P-HYDROXYBENZOATE HYDROXYLASE, P-HYDROXYBENZOIC ACID | 著者 | Eppink, M.H.M, Schreuder, H.A, Van Berkel, W.J.H. | 登録日 | 1998-05-26 | 公開日 | 1998-08-12 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Lys42 and Ser42 variants of p-hydroxybenzoate hydroxylase from Pseudomonas fluorescens reveal that Arg42 is essential for NADPH binding. Eur.J.Biochem., 253, 1998
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8TEU
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![BU of 8teu by Molmil](/molmil-images/mine/8teu) | Human cytomegalovirus portal vertex, non-infectious enveloped particle (NIEP) configuration 2 - inverted (NC2-inv) | 分子名称: | Capsid vertex component 1, Capsid vertex component 2, Large structural phosphoprotein, ... | 著者 | Jih, J, Liu, Y.T, Liu, W, Zhou, H. | 登録日 | 2023-07-07 | 公開日 | 2024-03-06 | 実験手法 | ELECTRON MICROSCOPY (4.01 Å) | 主引用文献 | The incredible bulk: Human cytomegalovirus tegument architectures uncovered by AI-empowered cryo-EM. Sci Adv, 10, 2024
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2GVA
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![BU of 2gva by Molmil](/molmil-images/mine/2gva) | REFINED SOLUTION STRUCTURE OF THE TYR 41--> HIS MUTANT OF THE M13 GENE V PROTEIN. A COMPARISON WITH THE CRYSTAL STRUCTURE | 分子名称: | GENE V PROTEIN | 著者 | Folkers, P.J.M, Nilges, M, Folmer, R.H.A, Prompers, J.J, Konings, R.N.H, Hilbers, C.W. | 登録日 | 1995-07-27 | 公開日 | 1995-10-15 | 最終更新日 | 2024-05-29 | 実験手法 | SOLUTION NMR | 主引用文献 | Refined solution structure of the Tyr41-->His mutant of the M13 gene V protein. A comparison with the crystal structure. Eur.J.Biochem., 232, 1995
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2GVB
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![BU of 2gvb by Molmil](/molmil-images/mine/2gvb) | REFINED SOLUTION STRUCTURE OF THE TYR 41--> HIS MUTANT OF THE M13 GENE V PROTEIN. A COMPARISON WITH THE CRYSTAL STRUCTURE | 分子名称: | GENE V PROTEIN | 著者 | Folkers, P.J.M, Nilges, M, Folmer, R.H.A, Prompers, J.J, Konings, R.N.H, Hilbers, C.W. | 登録日 | 1995-07-27 | 公開日 | 1995-10-15 | 最終更新日 | 2024-05-29 | 実験手法 | SOLUTION NMR | 主引用文献 | Refined solution structure of the Tyr41-->His mutant of the M13 gene V protein. A comparison with the crystal structure. Eur.J.Biochem., 232, 1995
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8TEW
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![BU of 8tew by Molmil](/molmil-images/mine/8tew) | Human cytomegalovirus penton vertex, CVSC-bound configuration | 分子名称: | Capsid vertex component 1, Capsid vertex component 2, Large structural phosphoprotein, ... | 著者 | Jih, J, Liu, Y.T, Liu, W, Zhou, H. | 登録日 | 2023-07-07 | 公開日 | 2024-03-06 | 実験手法 | ELECTRON MICROSCOPY (3.02 Å) | 主引用文献 | The incredible bulk: Human cytomegalovirus tegument architectures uncovered by AI-empowered cryo-EM. Sci Adv, 10, 2024
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5A8E
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![BU of 5a8e by Molmil](/molmil-images/mine/5a8e) | thermostabilised beta1-adrenoceptor with rationally designed inverse agonist 7-methylcyanopindolol bound | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, 4-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]-7-methyl-1H-indole-2-carbonitrile, ... | 著者 | Sato, T, Baker, J.G, Warne, T, Brown, G.A, Congreve, M, Leslie, A.G.W, Tate, C.G. | 登録日 | 2015-07-15 | 公開日 | 2015-09-30 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Pharmacological Analysis and Structure Determination of 7-Methylcyanopindolol-Bound Beta1-Adrenergic Receptor. Mol.Pharmacol., 88, 2015
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4CTC
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![BU of 4ctc by Molmil](/molmil-images/mine/4ctc) | Structure of the Human Anaplastic Lymphoma Kinase in Complex with the inhibitor 7-amino-3-cyclopropyl-12-fluoro-1,10,16-trimethyl-16,17- dihydro-1H-8,4-(metheno)pyrazolo(4,3-h)(2,5,11) benzoxadiazacyclotetradecin-15(10H)-one | 分子名称: | (10R)-7-amino-3-cyclopropyl-12-fluoro-1,10,16-trimethyl-16,17-dihydro-1H-8,4-(metheno)pyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecin-15(10H)-one, ALK TYROSINE KINASE RECEPTOR | 著者 | McTigue, M.A, Deng, Y.L, Liu, W, Brooun, A, Stewart, A.E. | 登録日 | 2014-03-12 | 公開日 | 2014-05-28 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | 主引用文献 | Discovery of (10R)-7-Amino-12-Fluoro-2,10,16-Trimethyl-15-Oxo-10,15,16,17-Tetrahydro-2H-8,4-(Metheno)Pyrazolo[4,3-H][2,5,11]Benzoxadiazacyclotetradecine-3-Carbonitrile (Pf-06463922), a Macrocyclic Inhibitor of Alk/Ros1 with Pre-Clinical Brain Exposure and Broad Spectrum Potency Against Alk-Resistant Mutations. J.Med.Chem., 57, 2014
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5QIC
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![BU of 5qic by Molmil](/molmil-images/mine/5qic) | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of HAO1 in complex with Z30620520 | 分子名称: | FLAVIN MONONUCLEOTIDE, Hydroxyacid oxidase 1, cyclopropyl-[4-(4-fluorophenyl)piperazin-1-yl]methanone | 著者 | MacKinnon, S, Bezerra, G.A, Krojer, T, Bradley, A.R, Talon, R, Brandao-Neto, J, Douangamath, A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Oppermann, U, Brennan, P.E, Yue, W.W. | 登録日 | 2018-05-22 | 公開日 | 2018-07-18 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.34 Å) | 主引用文献 | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) To Be Published
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5IM4
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![BU of 5im4 by Molmil](/molmil-images/mine/5im4) | Crystal structure of designed two-component self-assembling icosahedral cage I52-32 | 分子名称: | 6,7-dimethyl-8-ribityllumazine synthase, Phosphotransferase system, mannose/fructose-specific component IIA | 著者 | Liu, Y.A, Cascio, D, Sawaya, M.R, Bale, J.B, Collazo, M.J, Thomas, C, Sheffler, W, King, N.P, Baker, D, Yeates, T.O. | 登録日 | 2016-03-05 | 公開日 | 2016-07-27 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (3.5 Å) | 主引用文献 | Accurate design of megadalton-scale two-component icosahedral protein complexes. Science, 353, 2016
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5IPI
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![BU of 5ipi by Molmil](/molmil-images/mine/5ipi) | Structure of Adeno-associated virus type 2 VLP | 分子名称: | Capsid protein VP1 | 著者 | Drouin, L.M, Lins, B, Janssen, M.E, Bennet, A, Chipman, P, McKenna, R, Chen, W, Muzyczka, N, Cardone, G, Baker, T.S, Agbandje-McKenna, M. | 登録日 | 2016-03-09 | 公開日 | 2016-07-20 | 最終更新日 | 2024-03-06 | 実験手法 | ELECTRON MICROSCOPY (3.8 Å) | 主引用文献 | Cryo-electron Microscopy Reconstruction and Stability Studies of the Wild Type and the R432A Variant of Adeno-associated Virus Type 2 Reveal that Capsid Structural Stability Is a Major Factor in Genome Packaging. J.Virol., 90, 2016
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5A6R
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![BU of 5a6r by Molmil](/molmil-images/mine/5a6r) | Crystal structure of the BTB domain of human KCTD17 | 分子名称: | BTB/POZ DOMAIN-CONTAINING PROTEIN KCTD17 | 著者 | Pinkas, D.M, Sorrell, F, Sanvitale, C.E, Goubin, S, Williams, E, Newman, J.A, Pearce, N.M, Neshich, I, Pike, A.C.W, MacKenzie, A, Quigley, A, Faust, B, Carpenter, E.P, Tallant, C, Kopec, J, Chalk, R, Krojer, T, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A. | 登録日 | 2015-06-30 | 公開日 | 2015-11-04 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | 主引用文献 | Structural complexity in the KCTD family of Cullin3-dependent E3 ubiquitin ligases. Biochem. J., 474, 2017
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5I77
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![BU of 5i77 by Molmil](/molmil-images/mine/5i77) | Crystal structure of a beta-1,4-endoglucanase from Aspergillus niger | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | 著者 | Li, Y.J, Liu, W.D, Zheng, Y.Y, Chen, C.C, Guo, R.T. | 登録日 | 2016-02-17 | 公開日 | 2016-12-21 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Functional and structural analysis of Pichia pastoris-expressed Aspergillus niger 1,4-beta-endoglucanase Biochem. Biophys. Res. Commun., 475, 2016
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