7AYJ
| Metallo beta-lactamse Vim-1 with a sulfamoyl inhibitor. | Descriptor: | 3-(4-fluorophenyl)-1-sulfamoyl-pyrrole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION | Authors: | Farley, A.J.M, Ermolovich, I, Calvopina, K, Rabe, P, Brem, J, Schofield, C.J. | Deposit date: | 2020-11-12 | Release date: | 2021-05-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.21 Å) | Cite: | 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) | Descriptor: | ACETATE ION, Lysozyme, NITRATE ION | Authors: | Ramos, J, Laux, V, Haertlein, M, Erba Boeri, E, Forsyth, V.T, Mossou, E, Larsen, S, Langkilde, A.E. | Deposit date: | 2020-11-05 | Release date: | 2021-05-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | 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. | Descriptor: | COB(II)INAMIDE, SODIUM ION, YncE family protein, ... | Authors: | Whittaker, J, Felices Martinez, J.M, Guskov, A, Slotboom, D.J. | Deposit date: | 2023-07-14 | Release date: | 2024-07-24 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | 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 | Descriptor: | ACETATE ION, Lysozyme, NITRATE ION | Authors: | Ramos, J, Laux, V, Haertlein, M, Erba Boeri, E, Forsyth, V.T, Mossou, E, Larsen, S, Langkilde, A.E. | Deposit date: | 2020-11-05 | Release date: | 2021-05-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | 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 | Descriptor: | Putative dehydrogenase | Authors: | 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. | Deposit date: | 2019-10-30 | Release date: | 2019-12-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.685 Å) | Cite: | 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 | Descriptor: | AZIDO-PEG4-MEDITOPE, Immunoglobulin G binding protein A, MEMAB TRASTUZUMAB, ... | Authors: | Williams, J.C, Bzymek, K.P, Pucket, J, Avery, K.A, Ma, Y, Xie, J, Zer, C, Horne, D. | Deposit date: | 2016-12-06 | Release date: | 2018-03-14 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | 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 | Descriptor: | 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, ... | Authors: | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | Deposit date: | 2023-06-18 | Release date: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.27 Å) | Cite: | 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 | Descriptor: | 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 | Authors: | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | Deposit date: | 2023-06-18 | Release date: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | 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 | Descriptor: | 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 | Authors: | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | Deposit date: | 2023-06-18 | Release date: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | 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 | Descriptor: | 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 | Authors: | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | Deposit date: | 2023-06-18 | Release date: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.24 Å) | Cite: | 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 | Descriptor: | 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, ... | Authors: | Hendle, J, Timm, D.E. | Deposit date: | 2019-11-04 | Release date: | 2019-12-11 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | 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 | Descriptor: | 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, ... | Authors: | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | Deposit date: | 2023-06-18 | Release date: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.22 Å) | Cite: | 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 | Descriptor: | 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 | Authors: | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | Deposit date: | 2023-06-18 | Release date: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Crystal structure of the metallo-beta-lactamase VIM1 with 2868 To Be Published
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6UWV
| BACE-1 in complex with compound #34 | Descriptor: | (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, ... | Authors: | Hendle, J, Stout, S.L. | Deposit date: | 2019-11-05 | Release date: | 2019-12-11 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | 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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8PH3
| Crystal structure of the metallo-beta-lactamase VIM1 with 3747 | Descriptor: | 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 | Authors: | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | Deposit date: | 2023-06-18 | Release date: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.09 Å) | Cite: | Crystal structure of the metallo-beta-lactamase VIM1 with 3747 To Be Published
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8PGE
| Crystal structure of the metallo-beta-lactamase VIM1 with 2936 | Descriptor: | 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, ... | Authors: | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | Deposit date: | 2023-06-18 | Release date: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.29 Å) | Cite: | 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 | Descriptor: | 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, ... | Authors: | 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. | Deposit date: | 2020-10-01 | Release date: | 2021-05-19 | Last modified: | 2021-06-16 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | 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 | Descriptor: | 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 | Authors: | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | Deposit date: | 2023-06-18 | Release date: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.21 Å) | Cite: | 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 | Descriptor: | 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, ... | Authors: | 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. | Deposit date: | 2020-09-30 | Release date: | 2021-05-19 | Last modified: | 2021-06-16 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | 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 | Descriptor: | 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 | Authors: | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | Deposit date: | 2023-06-18 | Release date: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.23 Å) | Cite: | 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 | Descriptor: | 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 | Authors: | Liu, J, Walker, N, Wang, Z. | Deposit date: | 2012-04-27 | Release date: | 2012-09-19 | Last modified: | 2012-10-31 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | 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 | Descriptor: | 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 | Authors: | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | Deposit date: | 2023-06-18 | Release date: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | 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 | Descriptor: | 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, ... | Authors: | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | Deposit date: | 2023-06-18 | Release date: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | 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 | Descriptor: | 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 | Authors: | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | Deposit date: | 2023-06-18 | Release date: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.24 Å) | Cite: | Crystal structure of the metallo-beta-lactamase VIM1 with 3225 To Be Published
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6UZZ
| structure of human KCNQ1-CaM complex | Descriptor: | CALCIUM ION, Calmodulin-1, Potassium voltage-gated channel subfamily KQT member 1 | Authors: | Mackinnon, R, Sun, J. | Deposit date: | 2019-11-16 | Release date: | 2019-12-04 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structural Basis of Human KCNQ1 Modulation and Gating. Cell, 180, 2020
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