4S0R
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![BU of 4s0r by Molmil](/molmil-images/mine/4s0r) | Structure of GS-TnrA complex | Descriptor: | GLUTAMINE, Glutamine synthetase, MAGNESIUM ION, ... | Authors: | Schumacher, M.A, Chinnam, N.G, Cuthbert, B, Tonthat, N.K. | Deposit date: | 2015-01-04 | Release date: | 2015-03-04 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Structures of regulatory machinery reveal novel molecular mechanisms controlling B. subtilis nitrogen homeostasis. Genes Dev., 29, 2015
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4S3B
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![BU of 4s3b by Molmil](/molmil-images/mine/4s3b) | IspG in complex with Intermediate II | Descriptor: | (3S)-1,3-dihydroxy-4-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}-2-methylbut-2-ylium, carbokation intermediate, 4-hydroxy-3-methylbut-2-en-1-yl diphosphate synthase, ... | Authors: | Quitterer, F, Frank, A, Wang, K, Rao, G, O'Dowd, B, Li, J, Guerra, F, Abdel-Azeim, S, Bacher, A, Eppinger, J, Oldfield, E, Groll, M. | Deposit date: | 2015-01-26 | Release date: | 2015-04-29 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Atomic-Resolution Structures of Discrete Stages on the Reaction Coordinate of the [Fe4S4] Enzyme IspG (GcpE). J.Mol.Biol., 427, 2015
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4TKN
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![BU of 4tkn by Molmil](/molmil-images/mine/4tkn) | Structure of the SNX17 FERM domain bound to the second NPxF motif of KRIT1 | Descriptor: | Krev interaction trapped protein 1, Sorting nexin-17 | Authors: | Stiegler, A.L, Zhang, R, Liu, W, Boggon, T.J. | Deposit date: | 2014-05-27 | Release date: | 2014-07-30 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural Determinants for Binding of Sorting Nexin 17 (SNX17) to the Cytoplasmic Adaptor Protein Krev Interaction Trapped 1 (KRIT1). J.Biol.Chem., 289, 2014
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6WPT
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![BU of 6wpt by Molmil](/molmil-images/mine/6wpt) | Structure of the SARS-CoV-2 spike glycoprotein in complex with the S309 neutralizing antibody Fab fragment (open state) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, S309 neutralizing antibody heavy chain, ... | Authors: | Pinto, D, Park, Y.J, Beltramello, M, Walls, A.C, Tortorici, M.A, Bianchi, S, Jaconi, S, Culap, K, Zatta, F, De Marco, A, Peter, A, Guarino, B, Spreafico, R, Cameroni, E, Case, J.B, Chen, R.E, Havenar-Daughton, C, Snell, G, Virgin, H.W, Lanzavecchia, A, Diamond, M.S, Fink, K, Veesler, D, Corti, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | Deposit date: | 2020-04-27 | Release date: | 2020-05-27 | Last modified: | 2021-05-19 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Cross-neutralization of SARS-CoV-2 by a human monoclonal SARS-CoV antibody. Nature, 583, 2020
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6WY7
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![BU of 6wy7 by Molmil](/molmil-images/mine/6wy7) | CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH Compound-41 A.K.A 7-[1-phenyl-3-({4-phenylbicyclo[2.2.2]octan-1-yl}amino)propyl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 7-{(1R)-1-phenyl-3-[(4-phenylbicyclo[2.2.2]octan-1-yl)amino]propyl}-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine, CALCIUM ION, ... | Authors: | Khan, J.A. | Deposit date: | 2020-05-12 | Release date: | 2020-10-14 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.089 Å) | Cite: | Discovery and structure activity relationships of 7-benzyl triazolopyridines as stable, selective, and reversible inhibitors of myeloperoxidase. Bioorg.Med.Chem., 28, 2020
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6WNV
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![BU of 6wnv by Molmil](/molmil-images/mine/6wnv) | 70S ribosome without free 5S rRNA and with a perturbed PTC | Descriptor: | 16S ribosomal RNA, 23s-5s joint ribosomal RNA, 30S ribosomal protein S10, ... | Authors: | Loveland, A.B, Korostelev, A.A, Mankin, A.S, Huang, S, Aleksashin, N.A, Klepacki, D, Reier, K, Kefi, A, Szal, A, Remme, J, Jaeger, L, Vazquez-Laslop, N. | Deposit date: | 2020-04-23 | Release date: | 2020-06-24 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Ribosome engineering reveals the importance of 5S rRNA autonomy for ribosome assembly. Nat Commun, 11, 2020
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6WY0
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![BU of 6wy0 by Molmil](/molmil-images/mine/6wy0) | CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH Compound-40 A.K.A 7-[(1R)-1-phenyl-3-{[(1r,4r)-4-phenylcyclohexyl]amino}propyl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 7-{(1R)-1-phenyl-3-[(trans-4-phenylcyclohexyl)amino]propyl}-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine, ... | Authors: | Khan, J.A. | Deposit date: | 2020-05-12 | Release date: | 2020-10-14 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.799 Å) | Cite: | Discovery and structure activity relationships of 7-benzyl triazolopyridines as stable, selective, and reversible inhibitors of myeloperoxidase. Bioorg.Med.Chem., 28, 2020
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7NZZ
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![BU of 7nzz by Molmil](/molmil-images/mine/7nzz) | |
7NS0
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![BU of 7ns0 by Molmil](/molmil-images/mine/7ns0) | Bacilladnavirus capsid structure | Descriptor: | Capsid protein VP2 | Authors: | Munke, A, Okamoto, K. | Deposit date: | 2021-03-05 | Release date: | 2022-07-20 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (2.4 Å) | Cite: | Primordial Capsid and Spooled ssDNA Genome Structures Unravel Ancestral Events of Eukaryotic Viruses. Mbio, 13, 2022
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6WJE
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![BU of 6wje by Molmil](/molmil-images/mine/6wje) | Copper resistance protein copG- Form 2 | Descriptor: | ACETATE ION, COPPER (II) ION, DUF411 domain-containing protein, ... | Authors: | Hausrath, A.C, Ly, A.T, McEvoy, M.M. | Deposit date: | 2020-04-13 | Release date: | 2020-06-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The bacterial copper resistance protein CopG contains a cysteine-bridged tetranuclear copper cluster. J.Biol.Chem., 295, 2020
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8AYE
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![BU of 8aye by Molmil](/molmil-images/mine/8aye) | E. coli 70S ribosome bound to thermorubin and fMet-tRNA | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | Authors: | Sanyal, S, Parajuli, N.P, Emmerich, A.G. | Deposit date: | 2022-09-02 | Release date: | 2023-03-01 | Last modified: | 2024-04-24 | Method: | ELECTRON MICROSCOPY (1.96 Å) | Cite: | Antibiotic thermorubin tethers ribosomal subunits and impedes A-site interactions to perturb protein synthesis in bacteria. Nat Commun, 14, 2023
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7OFC
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![BU of 7ofc by Molmil](/molmil-images/mine/7ofc) | Keap1 kelch domain bound to a small molecule fragment | Descriptor: | DIMETHYL SULFOXIDE, Kelch-like ECH-associated protein 1, SULFATE ION, ... | Authors: | Narayanan, D, Bach, A, Gajhede, M. | Deposit date: | 2021-05-04 | Release date: | 2022-11-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Development of Noncovalent Small-Molecule Keap1-Nrf2 Inhibitors by Fragment-Based Drug Discovery. J.Med.Chem., 65, 2022
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7O4D
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![BU of 7o4d by Molmil](/molmil-images/mine/7o4d) | QR2 inhibitor from a novel sulfanamide series to tackle age related oxidative stress and cognitive decline | Descriptor: | 8-methyl-2-(4-methyl-3-piperazin-1-ylsulfonyl-phenyl)imidazo[1,2-a]pyridine, FLAVIN-ADENINE DINUCLEOTIDE, Ribosyldihydronicotinamide dehydrogenase [quinone], ... | Authors: | Gould, N.L, Scherer, G.R, Carvalh, S, Shurrush, K, Edry, E, Elkobi, A, David, O, Dym, O, Albeck, S, Peleg, Y, Germain, N, Babaev, I, Sharir, H, Lefker, B, Subramanyam, C, Barr, H, Rosenblum, K. | Deposit date: | 2021-04-06 | Release date: | 2022-08-17 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.249 Å) | Cite: | Specific quinone reductase 2 inhibitors reduce metabolic burden and reverse Alzheimer's disease phenotype in mice. J.Clin.Invest., 133, 2023
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4RNU
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![BU of 4rnu by Molmil](/molmil-images/mine/4rnu) | G303 Circular Permutation of Old Yellow Enzyme | Descriptor: | FLAVIN MONONUCLEOTIDE, NADPH dehydrogenase 1, PHOSPHATE ION | Authors: | Horton, J.R, Daugherty, A.B, Cheng, X, Lutz, S. | Deposit date: | 2014-10-26 | Release date: | 2015-01-14 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.677 Å) | Cite: | STRUCTURAL AND FUNCTIONAL CONSEQUENCES OF CIRCULAR PERMUTATION ON THE ACTIVE SITE OF OLD YELLOW ENZYME. ACS Catal, 5, 2015
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6WXZ
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![BU of 6wxz by Molmil](/molmil-images/mine/6wxz) | CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH Compound-29 A.K.A 7-(1,2-DIPHENYLETHYL)-1H-[1,2,3]TRIAZOLO[4,5-B]PYRIDIN-5-AMINE | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 7-[(1R)-1,2-diphenylethyl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine, CALCIUM ION, ... | Authors: | Khan, J.A. | Deposit date: | 2020-05-12 | Release date: | 2020-10-14 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.226 Å) | Cite: | Discovery and structure activity relationships of 7-benzyl triazolopyridines as stable, selective, and reversible inhibitors of myeloperoxidase. Bioorg.Med.Chem., 28, 2020
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6WPS
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![BU of 6wps by Molmil](/molmil-images/mine/6wps) | Structure of the SARS-CoV-2 spike glycoprotein in complex with the S309 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, S309 neutralizing antibody heavy chain, ... | Authors: | Pinto, D, Park, Y.J, Beltramello, M, Walls, A.C, Tortorici, M.A, Bianchi, S, Jaconi, S, Culap, K, Zatta, F, De Marco, A, Peter, A, Guarino, B, Spreafico, R, Cameroni, E, Case, J.B, Chen, R.E, Havenar-Daughton, C, Snell, G, Virgin, H.W, Lanzavecchia, A, Diamond, M.S, Fink, K, Veesler, D, Corti, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | Deposit date: | 2020-04-27 | Release date: | 2020-05-27 | Last modified: | 2021-05-19 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Cross-neutralization of SARS-CoV-2 by a human monoclonal SARS-CoV antibody. Nature, 583, 2020
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7OQZ
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![BU of 7oqz by Molmil](/molmil-images/mine/7oqz) | Cryo-EM structure of human TMEM45A | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Transmembrane protein 45A | Authors: | Grieben, M, Pike, A.C.W, Evans, A, Shrestha, L, Venkaya, S, Mukhopadhyay, S.M.M, Moreira, T, Chalk, R, MacLean, E.M, Marsden, B.D, Burgess-Brown, N.A, Bountra, C, Carpenter, E.P. | Deposit date: | 2021-06-04 | Release date: | 2021-06-16 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (3.27 Å) | Cite: | CryoEM structure of human TMEM45A To Be Published
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4RSQ
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![BU of 4rsq by Molmil](/molmil-images/mine/4rsq) | 2.9A resolution structure of SRPN2 (K198C/E359C) from Anopheles gambiae | Descriptor: | Serpin 2 | Authors: | Lovell, S, Battaile, K.P, Zhang, X, Meekins, D.A, An, C, Michel, K. | Deposit date: | 2014-11-10 | Release date: | 2014-12-24 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural and Inhibitory Effects of Hinge Loop Mutagenesis in Serpin-2 from the Malaria Vector Anopheles gambiae. J.Biol.Chem., 290, 2015
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4S3D
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![BU of 4s3d by Molmil](/molmil-images/mine/4s3d) | IspG in complex with PPi | Descriptor: | 4-hydroxy-3-methylbut-2-en-1-yl diphosphate synthase, DIPHOSPHATE, FE3-S4 CLUSTER | Authors: | Quitterer, F, Frank, A, Wang, K, Rao, G, O'Dowd, B, Li, J, Guerra, F, Abdel-Azeim, S, Bacher, A, Eppinger, J, Oldfield, E, Groll, M. | Deposit date: | 2015-01-26 | Release date: | 2015-04-29 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Atomic-Resolution Structures of Discrete Stages on the Reaction Coordinate of the [Fe4S4] Enzyme IspG (GcpE). J.Mol.Biol., 427, 2015
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7OW0
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![BU of 7ow0 by Molmil](/molmil-images/mine/7ow0) | |
6WMA
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![BU of 6wma by Molmil](/molmil-images/mine/6wma) | |
7OXS
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![BU of 7oxs by Molmil](/molmil-images/mine/7oxs) | |
7P3D
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![BU of 7p3d by Molmil](/molmil-images/mine/7p3d) | MHC I A02 Allele presenting YLQPRTFLL | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Beta-2-microglobulin, ... | Authors: | Rizkallah, P.J, Sewell, A.K, Wall, A, Fuller, A. | Deposit date: | 2021-07-07 | Release date: | 2021-07-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Emergence of immune escape at dominant SARS-CoV-2 killer T cell epitope. Cell, 185, 2022
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7P3E
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![BU of 7p3e by Molmil](/molmil-images/mine/7p3e) | MHC I A02 Allele presenting YLQLRTFLL | Descriptor: | Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, IODIDE ION, ... | Authors: | Rizkallah, P.J, Sewell, A.K, Wall, A, Fuller, A. | Deposit date: | 2021-07-07 | Release date: | 2021-07-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Emergence of immune escape at dominant SARS-CoV-2 killer T cell epitope. Cell, 185, 2022
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4RK5
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![BU of 4rk5 by Molmil](/molmil-images/mine/4rk5) | Crystal structure of LacI family transcriptional regulator from Lactobacillus casei, Target EFI-512911, with bound sucrose | Descriptor: | ACETATE ION, SODIUM ION, Transcriptional regulator, ... | Authors: | Patskovsky, Y, Toro, R, Bhosle, R, Al Obaidi, N, Chamala, S, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Lafleur, J, Siedel, R.D, Hillerich, B, Love, J, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2014-10-11 | Release date: | 2014-11-05 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Crystal Structure of LacI Transcriptional Regulator Lsei_2103 from Lactobacillus casei, Target EFI-512911 To be Published
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