5DNR
| Aurora A Kinase in complex with ATP in space group P41212 | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Aurora kinase A, MAGNESIUM ION, ... | Authors: | Janecek, M, Rossmann, M, Sharma, P, Emery, A, McKenzie, G, Huggins, D, Stockwell, S, Stokes, J.A, Almeida, E.G, Hardwick, B, Narvaez, A.J, Hyvonen, M, Spring, D.R, Venkitaraman, A. | Deposit date: | 2015-09-10 | Release date: | 2016-07-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Allosteric modulation of AURKA kinase activity by a small-molecule inhibitor of its protein-protein interaction with TPX2. Sci Rep, 6, 2016
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2FP0
| human ADP-ribosylhydrolase 3 | Descriptor: | ADP-ribosylhydrolase like 2, MAGNESIUM ION | Authors: | Mueller-Dieckmann, C, Weiss, M.S, Koch-Nolte, F. | Deposit date: | 2006-01-15 | Release date: | 2006-10-10 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | The structure of human ADP-ribosylhydrolase 3 (ARH3) provides insights into the reversibility of protein ADP-ribosylation. Proc.Natl.Acad.Sci.Usa, 103, 2006
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8P8C
| HUMAN CD38 ECTODOMAIN BOUND TO COMPOUND 9-ADPR ADDUCT | Descriptor: | ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1, [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-[4-[4-[[4-(2-methoxyethoxy)cyclohexyl]amino]-1-methyl-2-oxidanylidene-quinolin-6-yl]pyrazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate | Authors: | Rangel, V, Zebisch, M, Doyle, K.J, Burli, R.W. | Deposit date: | 2023-05-31 | Release date: | 2023-07-26 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.653 Å) | Cite: | A Covalent Binding Mode of a Pyrazole-Based CD38 Inhibitor Helv.Chim.Acta, 106, 2023
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1C14
| CRYSTAL STRUCTURE OF E COLI ENOYL REDUCTASE-NAD+-TRICLOSAN COMPLEX | Descriptor: | ENOYL REDUCTASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, TRICLOSAN | Authors: | Qiu, X, Janson, C, Court, R, Smyth, M, Payne, D, Abdel-Meguid, S. | Deposit date: | 1999-07-20 | Release date: | 2000-07-20 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Molecular basis for triclosan activity involves a flipping loop in the active site. Protein Sci., 8, 1999
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6WOS
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6GA8
| BACTERIORHODOPSIN, 330 FS STATE, REAL-SPACE REFINED AGAINST 15% EXTRAPOLATED STRUCTURE FACTORS | Descriptor: | 2,3-DI-PHYTANYL-GLYCEROL, Bacteriorhodopsin, DECANE, ... | Authors: | Nass Kovacs, G, Colletier, J.-P, Gruenbein, M.L, Stensitzki, T, Batyuk, A, Carbajo, S, Doak, R.B, Ehrenberg, D, Foucar, L, Gasper, R, Gorel, A, Hilpert, M, Kloos, M, Koglin, J, Reinstein, J, Roome, C.M, Schlesinger, R, Seaberg, M, Shoeman, R.L, Stricker, M, Boutet, S, Haacke, S, Heberle, J, Domratcheva, T, Schlichting, I. | Deposit date: | 2018-04-11 | Release date: | 2019-04-24 | Last modified: | 2019-07-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Three-dimensional view of ultrafast dynamics in photoexcited bacteriorhodopsin. Nat Commun, 10, 2019
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6GAH
| BACTERIORHODOPSIN, 680 FS STATE, REAL-SPACE REFINED AGAINST 15% EXTRAPOLATED STRUCTURE FACTORS | Descriptor: | 2,3-DI-PHYTANYL-GLYCEROL, Bacteriorhodopsin, DECANE, ... | Authors: | Nass Kovacs, G, Colletier, J.-P, Gruenbein, M.L, Stensitzki, T, Batyuk, A, Carbajo, S, Doak, R.B, Ehrenberg, D, Foucar, L, Gasper, R, Gorel, A, Hilpert, M, Kloos, M, Koglin, J, Reinstein, J, Roome, C.M, Schlesinger, R, Seaberg, M, Shoeman, R.L, Stricker, M, Boutet, S, Haacke, S, Heberle, J, Domratcheva, T, Schlichting, I. | Deposit date: | 2018-04-11 | Release date: | 2019-04-24 | Last modified: | 2019-07-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Three-dimensional view of ultrafast dynamics in photoexcited bacteriorhodopsin. Nat Commun, 10, 2019
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7OLZ
| Crystal structure of the SARS-CoV-2 RBD with neutralizing-VHHs Re5D06 and Re9F06 | Descriptor: | 3-[BENZYL(DIMETHYL)AMMONIO]PROPANE-1-SULFONATE, Nanobody Re5D06, Nanobody Re9F06, ... | Authors: | Aksu, M, Guttler, T, Gorlich, D. | Deposit date: | 2021-05-20 | Release date: | 2021-08-11 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Neutralization of SARS-CoV-2 by highly potent, hyperthermostable, and mutation-tolerant nanobodies. Embo J., 40, 2021
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6WOK
| Crystal structure of estrogen receptor alpha in complex with receptor degrader 6 | Descriptor: | (1R,3R)-1-(2,6-difluoro-4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-2-(2-fluoro-2-methylpropyl)-3-methyl-2,3,4,9-tetrahydro-1H-beta-carboline, (2S)-3-(3-hydroxyphenyl)-2-(4-iodophenyl)-4-methyl-2H-1-benzopyran-6-ol, Estrogen receptor | Authors: | Kiefer, J.R, Vinogradova, M, Liang, J, Zhang, B, Wang, X, Labadie, S. | Deposit date: | 2020-04-24 | Release date: | 2020-07-01 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.309 Å) | Cite: | Discovery of GNE-149 as a Full Antagonist and Efficient Degrader of Estrogen Receptor alpha for ER+ Breast Cancer. Acs Med.Chem.Lett., 11, 2020
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7ON5
| Crystal structure of the SARS-CoV-2 neutralizing nanobody Re5D06 | Descriptor: | 1,2-ETHANEDIOL, ETHANOL, Nanobody Re5D06 | Authors: | Aksu, M, Guttler, T, Gorlich, D. | Deposit date: | 2021-05-25 | Release date: | 2021-08-11 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Neutralization of SARS-CoV-2 by highly potent, hyperthermostable, and mutation-tolerant nanobodies. Embo J., 40, 2021
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6WOQ
| Structure of Hepatitis C Virus Envelope Glycoprotein E2 core from genotype 1a bound to neutralizing antibody HC1AM and non neutralizing antibody E1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein E2, ... | Authors: | Tzarum, N, Wilson, I.A, Law, M. | Deposit date: | 2020-04-25 | Release date: | 2020-08-19 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.667 Å) | Cite: | An alternate conformation of HCV E2 neutralizing face as an additional vaccine target. Sci Adv, 6, 2020
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5F8K
| Crystal structure of the Bac7(1-16) antimicrobial peptide bound to the Thermus thermophilus 70S ribosome | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | Authors: | Seefeldt, A.C, Graf, M, Perebaskine, N, Nguyen, F, Arenz, S, Mardirossian, M, Scocchi, M, Wilson, D.N, Innis, C.A. | Deposit date: | 2015-12-09 | Release date: | 2016-02-03 | Last modified: | 2024-04-24 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure of the mammalian antimicrobial peptide Bac7(1-16) bound within the exit tunnel of a bacterial ribosome. Nucleic Acids Res., 44, 2016
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9ARQ
| Crystal structure of SARS-CoV-2 main protease (authentic protein) in complex with an inhibitor TKB-245 | Descriptor: | (1R,2S,5S)-N-{(1S,2S)-1-(4-fluoro-1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5 | Authors: | Bulut, H, Hattori, S, Hayashi, H, Hasegawa, K, Li, M, Wlodawer, A, Tamamura, H, Mitsuya, H. | Deposit date: | 2024-02-23 | Release date: | 2024-04-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural and virologic mechanism of emergence of main protease inhibitor-resistance in SARS-CoV-2 as selected with main protease inhibitors To Be Published
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9ARS
| Crystal structure of SARS-CoV-2 main protease E166V mutant in complex with an inhibitor TKB-245 | Descriptor: | (1R,2S,5S)-N-{(1S,2S)-1-(4-fluoro-1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5 | Authors: | Bulut, H, Hattori, S, Hayashi, H, Hasegawa, K, Li, M, Wlodawer, A, Misumi, S, Tamamura, H, Mitsuya, H. | Deposit date: | 2024-02-23 | Release date: | 2024-04-24 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural and virologic mechanism of emergence of main protease inhibitor-resistance in SARS-CoV-2 as selected with main protease inhibitors To Be Published
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5FT4
| Crystal structure of the cysteine desulfurase CsdA from Escherichia coli at 1.996 Angstroem resolution | Descriptor: | CITRIC ACID, CYSTEINE DESULFURASE CSDA, GLYCEROL, ... | Authors: | Fernandez, F.J, Arda, A, Lopez-Estepa, M, Aranda, J, Penya-Soler, E, Garces, F, Quintana, J.F, Round, A, Campos-Oliva, R, Bruix, M, Coll, M, Tunon, I, Jimenez-Barbero, J, Vega, M.C. | Deposit date: | 2016-01-11 | Release date: | 2016-12-21 | Last modified: | 2019-01-02 | Method: | X-RAY DIFFRACTION (1.996 Å) | Cite: | The Mechanism of Sulfur Transfer Across Protein- Protein Interfaces: The Csd Model Acs Catalysis, 6, 2016
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2FOZ
| human ADP-ribosylhydrolase 3 | Descriptor: | ADP-ribosylhydrolase like 2, MAGNESIUM ION | Authors: | Mueller-Dieckmann, C, Weiss, M.S, Koch-Nolte, F. | Deposit date: | 2006-01-15 | Release date: | 2006-10-10 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The structure of human ADP-ribosylhydrolase 3 (ARH3) provides insights into the reversibility of protein ADP-ribosylation. Proc.Natl.Acad.Sci.Usa, 103, 2006
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8OL6
| Murine type II Abeta fibril from tgAPPSwe mouse | Descriptor: | Amyloid-beta protein 42 | Authors: | Zielinski, M, Peralta Reyes, F.S, Gremer, L, Schemmert, S, Frieg, B, Willuweit, A, Donner, L, Elvers, M, Nilsson, L.N.G, Syvanen, S, Sehlin, D, Ingelsson, M, Willbold, D, Schroeder, G.F. | Deposit date: | 2023-03-30 | Release date: | 2023-11-29 | Last modified: | 2023-12-13 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Cryo-EM of A beta fibrils from mouse models find tg-APP ArcSwe fibrils resemble those found in patients with sporadic Alzheimer's disease. Nat.Neurosci., 26, 2023
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9ART
| Crystal structure of SARS-CoV-2 main protease A191T mutant in complex with an inhibitor 5h | Descriptor: | 3C-like proteinase nsp5, N-[(2S)-1-({(1S,2S)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide | Authors: | Bulut, H, Hattori, S, Hayashi, H, Hasegawa, K, Li, M, Wlodawer, A, Tamamura, H, Mitsuya, H. | Deposit date: | 2024-02-23 | Release date: | 2024-04-24 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Structural and virologic mechanism of emergence of main protease inhibitor-resistance in SARS-CoV-2 as selected with main protease inhibitors To Be Published
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9AVQ
| Crystal structure of SARS-CoV-2 main protease A191T mutant in complex with an inhibitor Nirmatrelvir | Descriptor: | (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5, DI(HYDROXYETHYL)ETHER | Authors: | Bulut, H, Hattori, S, Hayashi, H, Hasegawa, K, Li, M, Wlodawer, A, Tamamura, H, Mitsuya, H. | Deposit date: | 2024-03-04 | Release date: | 2024-04-24 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | Structural and virologic mechanism of emergence of main protease inhibitor-resistance in SARS-CoV-2 as selected with main protease inhibitors To Be Published
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2VEE
| Structure of protoglobin from Methanosarcina acetivorans C2A | Descriptor: | PROTOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Nardini, M, Pesce, A, Thijs, L, Saito, J.A, Dewilde, S, Alam, M, Ascenzi, P, Coletta, M, Ciaccio, C, Moens, L, Bolognesi, M. | Deposit date: | 2007-10-22 | Release date: | 2008-01-22 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Archaeal Protoglobin Structure Indicates New Ligand Diffusion Paths and Modulation of Haem-Reactivity. Embo Rep., 9, 2008
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8OLN
| DI1 Abeta fibril from tg-SwDI mouse | Descriptor: | Amyloid-beta protein 42 | Authors: | Zielinski, M, Peralta Reyes, F.S, Gremer, L, Schemmert, S, Frieg, B, Willuweit, A, Donner, L, Elvers, M, Nilsson, L.N.G, Syvanen, S, Sehlin, D, Ingelsson, M, Willbold, D, Schroeder, G.F. | Deposit date: | 2023-03-30 | Release date: | 2023-11-29 | Last modified: | 2023-12-13 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Cryo-EM of A beta fibrils from mouse models find tg-APP ArcSwe fibrils resemble those found in patients with sporadic Alzheimer's disease. Nat.Neurosci., 26, 2023
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5W6L
| Crystal Structure of RRSP, a MARTX Toxin Effector Domain from Vibrio vulnificus CMCP6 | Descriptor: | CHLORIDE ION, GLYCEROL, RTX repeat-containing cytotoxin, ... | Authors: | Minasov, G, Wawrzak, Z, Biancucci, M, Shuvalova, L, Dubrovska, I, Satchell, K.J, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2017-06-16 | Release date: | 2018-06-27 | Last modified: | 2018-10-10 | Method: | X-RAY DIFFRACTION (3.45 Å) | Cite: | The bacterial Ras/Rap1 site-specific endopeptidase RRSP cleaves Ras through an atypical mechanism to disrupt Ras-ERK signaling. Sci Signal, 11, 2018
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9EOQ
| Cryo-EM Structure of a 1033 Scaffold Base DNA Origami Nanostructure V4 and TBA | Descriptor: | DNA (42-MER), DNA (5'-D(P*AP*TP*AP*TP*AP*GP*CP*GP*TP*GP*GP*AP*AP*GP*T)-3') | Authors: | Ali, K, Georg, K, Volodymyr, M, Johanna, G, Maximilian, N.H, Lukas, K, Simone, C, Hendrik, D. | Deposit date: | 2024-03-15 | Release date: | 2024-04-24 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (7.5 Å) | Cite: | Designing Rigid DNA Origami Templates for Molecular Visualization Using Cryo-EM. Nano Lett., 24, 2024
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8OLQ
| DI3 Abeta fibril from tg-SwDI mouse | Descriptor: | Amyloid-beta protein 42 | Authors: | Zielinski, M, Peralta Reyes, F.S, Gremer, L, Schemmert, S, Frieg, B, Willuweit, A, Donner, L, Elvers, M, Nilsson, L.N.G, Syvanen, S, Sehlin, D, Ingelsson, M, Willbold, D, Schroeder, G.F. | Deposit date: | 2023-03-30 | Release date: | 2023-11-29 | Last modified: | 2023-12-13 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Cryo-EM of A beta fibrils from mouse models find tg-APP ArcSwe fibrils resemble those found in patients with sporadic Alzheimer's disease. Nat.Neurosci., 26, 2023
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8OL3
| Murine type III Abeta fibril from APP/PS1 mouse | Descriptor: | Amyloid-beta protein 42 | Authors: | Zielinski, M, Peralta Reyes, F.S, Gremer, L, Schemmert, S, Frieg, B, Willuweit, A, Donner, L, Elvers, M, Nilsson, L.N.G, Syvanen, S, Sehlin, D, Ingelsson, M, Willbold, D, Schroeder, G.F. | Deposit date: | 2023-03-30 | Release date: | 2023-11-29 | Last modified: | 2023-12-13 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Cryo-EM of A beta fibrils from mouse models find tg-APP ArcSwe fibrils resemble those found in patients with sporadic Alzheimer's disease. Nat.Neurosci., 26, 2023
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