7AYJ
 
 | | Metallo beta-lactamse Vim-1 with a sulfamoyl inhibitor. | | 分子名称: | 3-(4-fluorophenyl)-1-sulfamoyl-pyrrole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION | | 著者 | Farley, A.J.M, Ermolovich, I, Calvopina, K, Rabe, P, Brem, J, Schofield, C.J. | | 登録日 | 2020-11-12 | | 公開日 | 2021-05-12 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.21 Å) | | 主引用文献 | Structural Basis of Metallo-beta-lactamase Inhibition by N -Sulfamoylpyrrole-2-carboxylates.
Acs Infect Dis., 7, 2021
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7AVF
 | | Triclinic hydrogenated hen egg-white lysozyme at 100 K (control) | | 分子名称: | ACETATE ION, Lysozyme, NITRATE ION | | 著者 | Ramos, J, Laux, V, Haertlein, M, Erba Boeri, E, Forsyth, V.T, Mossou, E, Larsen, S, Langkilde, A.E. | | 登録日 | 2020-11-05 | | 公開日 | 2021-05-12 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1 Å) | | 主引用文献 | Structural insights into protein folding, stability and activity using in vivo perdeuteration of hen egg-white lysozyme.
Iucrj, 8, 2021
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8PTF
 | | The surface-exposed lipo-protein of BtuG2 in complex with cyanocobalamin. | | 分子名称: | COB(II)INAMIDE, SODIUM ION, YncE family protein, ... | | 著者 | Whittaker, J, Felices Martinez, J.M, Guskov, A, Slotboom, D.J. | | 登録日 | 2023-07-14 | | 公開日 | 2024-07-24 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | The surface-exposed lipo-protein of BtuG1 in complex with cyanocobinamide.
To Be Published
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7AVG
 | | Perdeuterated hen egg-white lysozyme at 100 K | | 分子名称: | ACETATE ION, Lysozyme, NITRATE ION | | 著者 | Ramos, J, Laux, V, Haertlein, M, Erba Boeri, E, Forsyth, V.T, Mossou, E, Larsen, S, Langkilde, A.E. | | 登録日 | 2020-11-05 | | 公開日 | 2021-05-12 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1 Å) | | 主引用文献 | Structural insights into protein folding, stability and activity using in vivo perdeuteration of hen egg-white lysozyme.
Iucrj, 8, 2021
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6UUG
 | | Structure of methanesulfinate monooxygenase MsuC from Pseudomonas fluorescens at 1.69 angstrom resolution | | 分子名称: | Putative dehydrogenase | | 著者 | Soule, J, Gnann, A.D, Gonzalez, R, Parker, M.J, McKenna, K.C, Nguyen, S.V, Phan, N.T, Wicht, D.K, Dowling, D.P. | | 登録日 | 2019-10-30 | | 公開日 | 2019-12-04 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.685 Å) | | 主引用文献 | Structure and function of the two-component flavin-dependent methanesulfinate monooxygenase within bacterial sulfur assimilation.
Biochem.Biophys.Res.Commun., 522, 2020
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5U5M
 | | CRYSTAL STRUCTURE OF I83E MEDITOPE-ENABLED TRASTUZUMAB WITH AZIDO-MEDITOPE | | 分子名称: | AZIDO-PEG4-MEDITOPE, Immunoglobulin G binding protein A, MEMAB TRASTUZUMAB, ... | | 著者 | Williams, J.C, Bzymek, K.P, Pucket, J, Avery, K.A, Ma, Y, Xie, J, Zer, C, Horne, D. | | 登録日 | 2016-12-06 | | 公開日 | 2018-03-14 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | | 主引用文献 | Crystal Structure Of I83E Meditope-Enabled Trastuzumab With Azido-Meditope
To Be Published
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8PGM
 | | Crystal structure of the metallo-beta-lactamase VIM1 with 3062 | | 分子名称: | 3-[4-[(azanyl-methyl-oxidanyl-$l^{4}-sulfanyl)methyl]-3-fluoranyl-phenyl]-7-propan-2-yl-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, DIMETHYL SULFOXIDE, ... | | 著者 | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | | 登録日 | 2023-06-18 | | 公開日 | 2024-07-10 | | 実験手法 | X-RAY DIFFRACTION (1.27 Å) | | 主引用文献 | Crystal structure of the metallo-beta-lactamase VIM1 with 3062
To Be Published
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8PGG
 | | Crystal structure of the metallo-beta-lactamase VIM1 with 2954 | | 分子名称: | 3-[3-fluoranyl-4-(methylsulfonylmethyl)phenyl]-7-[(1~{S})-1-(2-oxidanylidene-1~{H}-pyridin-3-yl)ethyl]-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION | | 著者 | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | | 登録日 | 2023-06-18 | | 公開日 | 2024-07-10 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 主引用文献 | Crystal structure of the metallo-beta-lactamase VIM1 with 2954
To Be Published
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8PGH
 | | Crystal structure of the metallo-beta-lactamase VIM1 with 2955 | | 分子名称: | 7-[(1~{S})-1-[1-(3-azanylpropyl)pyrazol-4-yl]ethyl]-3-[3-fluoranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION | | 著者 | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | | 登録日 | 2023-06-18 | | 公開日 | 2024-07-10 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 主引用文献 | Crystal structure of the metallo-beta-lactamase VIM1 with 2955
To Be Published
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8PGK
 | | Crystal structure of the metallo-beta-lactamase VIM1 with 3016 | | 分子名称: | 7-[(1~{S})-1-(2-carbamimidoyl-6-oxidanylidene-5-oxa-2,7-diazaspiro[3.4]octan-7-yl)ethyl]-3-[3-fluoranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION | | 著者 | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | | 登録日 | 2023-06-18 | | 公開日 | 2024-07-10 | | 実験手法 | X-RAY DIFFRACTION (1.24 Å) | | 主引用文献 | Crystal structure of the metallo-beta-lactamase VIM1 with 3016
To Be Published
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6UVP
 | | BACE-1 in complex with compound #3 | | 分子名称: | Beta-secretase 1, GLYCEROL, N-{(1R,2R)-2-[(4aS,7aR)-2-amino-4a,5-dihydro-4H-furo[3,4-d][1,3]thiazin-7a(7H)-yl]cyclopropyl}-5-fluoropyridine-2-carboxamide, ... | | 著者 | Hendle, J, Timm, D.E. | | 登録日 | 2019-11-04 | | 公開日 | 2019-12-11 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.56 Å) | | 主引用文献 | Preparation and biological evaluation of BACE1 inhibitors: Leveraging trans-cyclopropyl moieties as ligand efficient conformational constraints.
Bioorg.Med.Chem., 28, 2020
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8PGR
 | | Crystal structure of the metallo-beta-lactamase VIM1 with 3270 | | 分子名称: | 7-[(1~{S})-1-[2-(aminomethyl)-6-oxidanylidene-5-oxa-7-azaspiro[3.4]octan-7-yl]ethyl]-3-(2-methoxypyridin-4-yl)-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, DIMETHYL SULFOXIDE, ... | | 著者 | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | | 登録日 | 2023-06-18 | | 公開日 | 2024-07-10 | | 実験手法 | X-RAY DIFFRACTION (1.22 Å) | | 主引用文献 | Crystal structure of the metallo-beta-lactamase VIM1 with 3270
To Be Published
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8PGC
 | | Crystal structure of the metallo-beta-lactamase VIM1 with 2868 | | 分子名称: | 7-[(1~{S})-1-[5-[2-(1-azanylcyclopropyl)ethyl]-2-oxidanylidene-1,3-oxazol-3-yl]ethyl]-3-[3-fluoranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION | | 著者 | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | | 登録日 | 2023-06-18 | | 公開日 | 2024-07-10 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Crystal structure of the metallo-beta-lactamase VIM1 with 2868
To Be Published
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8PH3
 | | Crystal structure of the metallo-beta-lactamase VIM1 with 3747 | | 分子名称: | 7-[(1~{S})-1-[2-(aminomethyl)-6-oxidanylidene-5-oxa-7-azaspiro[3.4]octan-7-yl]ethyl]-3-(1-methylpyrazol-4-yl)-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION | | 著者 | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | | 登録日 | 2023-06-18 | | 公開日 | 2024-07-10 | | 実験手法 | X-RAY DIFFRACTION (1.09 Å) | | 主引用文献 | Crystal structure of the metallo-beta-lactamase VIM1 with 3747
To Be Published
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6UWV
 | | BACE-1 in complex with compound #34 | | 分子名称: | (4aR,7aR)-7a-[(1R,2R)-2-(2-{[(1R,2R)-2-methylcyclopropyl]methoxy}propan-2-yl)cyclopropyl]-6-(pyrimidin-2-yl)-4,4a,5,6,7,7a-hexahydropyrrolo[3,4-d][1,3]thiazin-2-amine, Beta-secretase 1, GLYCEROL, ... | | 著者 | Hendle, J, Stout, S.L. | | 登録日 | 2019-11-05 | | 公開日 | 2019-12-11 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | | 主引用文献 | Preparation and biological evaluation of BACE1 inhibitors: Leveraging trans-cyclopropyl moieties as ligand efficient conformational constraints.
Bioorg.Med.Chem., 28, 2020
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8PGE
 | | Crystal structure of the metallo-beta-lactamase VIM1 with 2936 | | 分子名称: | 7-[(1~{S})-1-[2-(aminomethyl)-6-oxidanylidene-5-oxa-7-azaspiro[3.4]octan-7-yl]ethyl]-3-[3-fluoranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, DIMETHYL SULFOXIDE, ... | | 著者 | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | | 登録日 | 2023-06-18 | | 公開日 | 2024-07-10 | | 実験手法 | X-RAY DIFFRACTION (1.29 Å) | | 主引用文献 | Crystal structure of the metallo-beta-lactamase VIM1 with 2936
To Be Published
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7AKJ
 | | Structure of the SARS-CoV spike glycoprotein in complex with the 47D11 neutralizing antibody Fab fragment | | 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 | Fedry, J, Hurdiss, D.L, Wang, C, Li, W, Obal, G, Drulyte, I, Howes, S.C, van Kuppeveld, F.J.M, Foerster, F, Bosch, B.J. | | 登録日 | 2020-10-01 | | 公開日 | 2021-05-19 | | 最終更新日 | 2021-06-16 | | 実験手法 | ELECTRON MICROSCOPY (3.8 Å) | | 主引用文献 | Structural insights into the cross-neutralization of SARS-CoV and SARS-CoV-2 by the human monoclonal antibody 47D11.
Sci Adv, 7, 2021
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8PGT
 | | Crystal structure of the metallo-beta-lactamase VIM1 with 3393 | | 分子名称: | 7-[(1~{S})-1-[2-(aminomethyl)-6-oxidanylidene-5-oxa-7-azaspiro[3.4]octan-7-yl]ethyl]-3-(5-oxidanylpyridin-3-yl)-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION | | 著者 | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | | 登録日 | 2023-06-18 | | 公開日 | 2024-07-10 | | 実験手法 | X-RAY DIFFRACTION (1.21 Å) | | 主引用文献 | Crystal structure of the metallo-beta-lactamase VIM1 with 3393
To Be Published
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7AKD
 | | Structure of the SARS-CoV-2 spike glycoprotein in complex with the 47D11 neutralizing antibody Fab fragment | | 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, 47D11 neutralizing antibody heavy chain, ... | | 著者 | Fedry, J, Hurdiss, D.L, Wang, C, Li, W, Obal, G, Drulyte, I, Howes, S.C, van Kuppeveld, F.J.M, Foerster, F, Bosch, B.J. | | 登録日 | 2020-09-30 | | 公開日 | 2021-05-19 | | 最終更新日 | 2021-06-16 | | 実験手法 | ELECTRON MICROSCOPY (4 Å) | | 主引用文献 | Structural insights into the cross-neutralization of SARS-CoV and SARS-CoV-2 by the human monoclonal antibody 47D11.
Sci Adv, 7, 2021
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8PGV
 | | Crystal structure of the metallo-beta-lactamase VIM1 with 3396 | | 分子名称: | 7-[(1~{S})-1-[2-(aminomethyl)-6-oxidanylidene-5-oxa-7-azaspiro[3.4]octan-7-yl]ethyl]-3-[3-fluoranyl-4-(oxetan-3-ylsulfonylamino)phenyl]-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION | | 著者 | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | | 登録日 | 2023-06-18 | | 公開日 | 2024-07-10 | | 実験手法 | X-RAY DIFFRACTION (1.23 Å) | | 主引用文献 | Crystal structure of the metallo-beta-lactamase VIM1 with 3396
To Be Published
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4EWH
 | | Co-crystal structure of ACK1 with inhibitor | | 分子名称: | 6-{4-[2-(dimethylamino)ethoxy]phenyl}-N-(1,3-dithiolan-2-ylmethyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Activated CDC42 kinase 1 | | 著者 | Liu, J, Walker, N, Wang, Z. | | 登録日 | 2012-04-27 | | 公開日 | 2012-09-19 | | 最終更新日 | 2012-10-31 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Synthesis and optimization of substituted furo[2,3-d]-pyrimidin-4-amines and 7H-pyrrolo[2,3-d]pyrimidin-4-amines as ACK1 inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
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8PGF
 | | Crystal structure of the metallo-beta-lactamase VIM1 with 2941 | | 分子名称: | 7-[(1~{S})-1-[[4-(aminomethyl)phenyl]carbonylamino]ethyl]-3-[6-(morpholin-4-ylmethyl)pyridin-3-yl]-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION | | 著者 | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | | 登録日 | 2023-06-18 | | 公開日 | 2024-07-10 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 主引用文献 | Crystal structure of the metallo-beta-lactamase VIM1 with 2941
To Be Published
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8PGL
 | | Crystal structure of the metallo-beta-lactamase VIM1 with 3027 | | 分子名称: | 7-[(1~{S})-1-[5-(carbamimidamidomethyl)-2-oxidanylidene-1,3-oxazolidin-3-yl]ethyl]-3-[3-fluoranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, DIMETHYL SULFOXIDE, ... | | 著者 | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | | 登録日 | 2023-06-18 | | 公開日 | 2024-07-10 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 主引用文献 | Crystal structure of the metallo-beta-lactamase VIM1 with 3027
To Be Published
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8PGQ
 | | Crystal structure of the metallo-beta-lactamase VIM1 with 3225 | | 分子名称: | 7-[(1~{S})-1-[2-(aminomethyl)-6-oxidanylidene-5-oxa-7-azaspiro[3.4]octan-7-yl]ethyl]-3-[3-cyano-4-(methylsulfonylamino)phenyl]-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION | | 著者 | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | | 登録日 | 2023-06-18 | | 公開日 | 2024-07-10 | | 実験手法 | X-RAY DIFFRACTION (1.24 Å) | | 主引用文献 | Crystal structure of the metallo-beta-lactamase VIM1 with 3225
To Be Published
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6UZZ
 | | structure of human KCNQ1-CaM complex | | 分子名称: | CALCIUM ION, Calmodulin-1, Potassium voltage-gated channel subfamily KQT member 1 | | 著者 | Mackinnon, R, Sun, J. | | 登録日 | 2019-11-16 | | 公開日 | 2019-12-04 | | 最終更新日 | 2024-03-06 | | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | | 主引用文献 | Structural Basis of Human KCNQ1 Modulation and Gating.
Cell, 180, 2020
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