8ROY
 
 | | Structure of the human DDB1-DDA1-DCAF15 E3 ubiquitin ligase bound to compound furan 24 | | Descriptor: | 1-[5-[[3,4-bis(chloranyl)-1~{H}-indol-7-yl]sulfamoyl]-3-methyl-furan-2-yl]carbonyl-~{N}-methyl-piperidine-4-carboxamide, DDB1- and CUL4-associated factor 15, DET1- and DDB1-associated protein 1, ... | | Authors: | Shilliday, F, Lucas, S.C.C, Richter, M, Michaelides, I.N, Fusani, L. | | Deposit date: | 2024-01-12 | | Release date: | 2024-04-03 | | Last modified: | 2024-04-24 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Optimization of Potent Ligands for the E3 Ligase DCAF15 and Evaluation of Their Use in Heterobifunctional Degraders.
J.Med.Chem., 67, 2024
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8R60
 | | 1918 H1N1 Viral polymerase heterotrimer in complex with 4 repeat serine-5 phosphorylated PolII peptide | | Descriptor: | Polymerase acidic protein, Polymerase basic protein 2, RNA (5'-R(P*AP*GP*UP*AP*GP*AP*AP*AP*CP*AP*AP*GP*GP*CP*C)-3'), ... | | Authors: | Keown, J.R, Carrique, L, Fodor, E, Grimes, J.M. | | Deposit date: | 2023-11-19 | | Release date: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.23 Å) | | Cite: | 1918 H1N1 Viral polymerase heterotrimer in complex with 4 repeat serine-5 phosphorylated PolII peptide
To Be Published
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8RQF
 | | Cryo-EM structure of human NTCP-Bulevirtide complex | | Descriptor: | Fab-specific nanobody, Heavy chain of Fab3, Light chain of Fab3, ... | | Authors: | Liu, H, Zakrzewicz, D, Nosol, K, Irobalieva, R.N, Mukherjee, S, Bang-Soerensen, R, Goldmann, N, Kunz, S, Rossi, L, Kossiakoff, A.A, Urban, S, Glebe, D, Geyer, J, Locher, K.P. | | Deposit date: | 2024-01-18 | | Release date: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.41 Å) | | Cite: | Cryo-EM structure of human NTCP-Bulevirtide complex
To Be Published
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8RDS
 | | Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with spiro-isoxazol based compound 8i | | Descriptor: | (5~{S})-3-(2-methoxyphenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-8,10-dione, Cereblon isoform 4, PHOSPHATE ION, ... | | Authors: | Bischof, L, Hartmann, M.D. | | Deposit date: | 2023-12-08 | | Release date: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Discovery and characterization of potent spiro-isoxazole-based cereblon ligands with a novel binding mode.
Eur.J.Med.Chem., 270, 2024
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8RDQ
 | | Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with spiro-isoxazol based compound 8b | | Descriptor: | (5S)-3-(2,4-dichlorophenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-8,10-dione, Cereblon isoform 4, PHOSPHATE ION, ... | | Authors: | Bischof, L, Hartmann, M.D. | | Deposit date: | 2023-12-08 | | Release date: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Discovery and characterization of potent spiro-isoxazole-based cereblon ligands with a novel binding mode.
Eur.J.Med.Chem., 270, 2024
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8RDP
 | | Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with spiro-isoxazol based compound 8a | | Descriptor: | (5~{S})-3-(2-chlorophenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-8,10-dione, Cereblon isoform 4, PHOSPHATE ION, ... | | Authors: | Bischof, L, Hartmann, M.D. | | Deposit date: | 2023-12-08 | | Release date: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Discovery and characterization of potent spiro-isoxazole-based cereblon ligands with a novel binding mode.
Eur.J.Med.Chem., 270, 2024
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8RDR
 | | Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with spiro-isoxazol based compound 8g | | Descriptor: | (5~{S})-3-(2-nitrophenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-8,10-dione, Cereblon isoform 4, PHOSPHATE ION, ... | | Authors: | Bischof, L, Hartmann, M.D. | | Deposit date: | 2023-12-08 | | Release date: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Discovery and characterization of potent spiro-isoxazole-based cereblon ligands with a novel binding mode.
Eur.J.Med.Chem., 270, 2024
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8RDT
 | | Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with spiro-isoxazol based compound 8j | | Descriptor: | (5~{S})-3-(2,3,4-trimethoxyphenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-8,10-dione, Cereblon isoform 4, PHOSPHATE ION, ... | | Authors: | Bischof, L, Hartmann, M.D. | | Deposit date: | 2023-12-08 | | Release date: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Discovery and characterization of potent spiro-isoxazole-based cereblon ligands with a novel binding mode.
Eur.J.Med.Chem., 270, 2024
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8RHL
 | | Yeast 20S proteasome in complex with a linear biarylether epoxyketone (compound 15a) | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, Linear biarylether epoxyketone, ... | | Authors: | Goetz, M.G, Godwin, K, Price, R, Dorn, R, Merrill-Steskal, G, Hansen, H, Klemmer, W, Produturi, G, Rocha, M, Palmer, M, Molacek, L, Strater, Z, Groll, M. | | Deposit date: | 2023-12-15 | | Release date: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Macrocyclic Oxindole Peptide Epoxyketones-A Comparative Study of Macrocyclic Inhibitors of the 20S Proteasome.
Acs Med.Chem.Lett., 15, 2024
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8RHJ
 | | Yeast 20S proteasome in complex with a macrocyclic oxindole epoxyketone (compound 5) | | Descriptor: | CHLORIDE ION, MAGNESIUM ION, Macrocyclic oxindole epoxyketone, ... | | Authors: | Goetz, M.G, Godwin, K, Price, R, Dorn, R, Merrill-Steskal, G, Hansen, H, Klemmer, W, Produturi, G, Rocha, M, Palmer, M, Molacek, L, Strater, Z, Groll, M. | | Deposit date: | 2023-12-15 | | Release date: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (3.05 Å) | | Cite: | Macrocyclic Oxindole Peptide Epoxyketones-A Comparative Study of Macrocyclic Inhibitors of the 20S Proteasome.
Acs Med.Chem.Lett., 15, 2024
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4TQI
 | | Human transthyretin (TTR) complexed with 3-(9H-fluoren-9-ylideneaminooxy)propanoic acid in a dual binding mode | | Descriptor: | (2S)-3-[(9H-fluoren-9-ylideneamino)oxy]-2-methylpropanoic acid, GLYCEROL, Transthyretin | | Authors: | Stura, E.A, Ciccone, L, Nencetti, S, Rossello, A, Orlandini, E. | | Deposit date: | 2014-06-11 | | Release date: | 2015-06-24 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | X-ray crystal structure and activity of fluorenyl-based compounds as transthyretin fibrillogenesis inhibitors.
J Enzyme Inhib Med Chem, 2015
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3T4Y
 | | S25-2- KDO monosaccharide complex | | Descriptor: | 3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid, MAGNESIUM ION, S25-2 FAB (IGG1K) HEAVY CHAIN, ... | | Authors: | Nguyen, H.P, Seto, N.O, Mackenzie, C.R, Brade, L, Kosma, P, Brade, H, Evans, S.V. | | Deposit date: | 2011-07-26 | | Release date: | 2011-08-03 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Germline antibody recognition of distinct carbohydrate epitopes.
Nat.Struct.Biol., 10, 2003
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3F59
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3SQ9
 | | Crystal Structures of the Ligand Binding Domain of a Pentameric Alpha7 Nicotinic Receptor Chimera | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Neuronal acetylcholine receptor subunit alpha-7, ... | | Authors: | Li, S.-X, Huang, S, Bren, N, Noridomi, K, Dellisanti, C, Sine, S, Chen, L. | | Deposit date: | 2011-07-05 | | Release date: | 2011-09-28 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Ligand-binding domain of an alpha 7-nicotinic receptor chimera and its complex with agonist.
Nat.Neurosci., 14, 2011
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3TBO
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3F80
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3F8R
 | | Crystal structure of Sulfolobus solfataricus Thioredoxin reductase B3 in complex with two NADP molecules | | Descriptor: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Thioredoxin reductase (TrxB-3) | | Authors: | Ruggiero, A, Masullo, M, Ruocco, M.R, Arcari, P, Zagari, A, Vitagliano, L. | | Deposit date: | 2008-11-13 | | Release date: | 2009-01-13 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structure and stability of a thioredoxin reductase from Sulfolobus solfataricus: a thermostable protein with two functions
Biochim.Biophys.Acta, 1794, 2009
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3SUH
 | | Crystal structure of THF riboswitch, bound with 5-formyl-THF | | Descriptor: | N-[4-({[(6S)-2-amino-5-formyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-glutamic acid, Riboswitch, SODIUM ION | | Authors: | Huang, L, Serganov, A, Patel, D.J. | | Deposit date: | 2011-07-11 | | Release date: | 2011-09-14 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Long-range pseudoknot interactions dictate the regulatory response in the tetrahydrofolate riboswitch.
Proc.Natl.Acad.Sci.USA, 108, 2011
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4TLS
 | | Crystal Structure of Human Transthyretin Glu92Pro Mutant | | Descriptor: | GLYCEROL, PHOSPHATE ION, SODIUM ION, ... | | Authors: | Saelices, L, Cascio, D, Sawaya, M, Eisenberg, D.S. | | Deposit date: | 2014-05-30 | | Release date: | 2015-10-21 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Uncovering the Mechanism of Aggregation of Human Transthyretin.
J.Biol.Chem., 290, 2015
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3FDG
 | | The crystal structure of the dipeptidase AC, Metallo peptidase. MEROPS family M19 | | Descriptor: | Dipeptidase AC. Metallo peptidase. MEROPS family M19, MAGNESIUM ION | | Authors: | Zhang, R, Hatzos, C, Freeman, L, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2008-11-25 | | Release date: | 2008-12-23 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The crystal structure of the dipeptidase AC, Metallo peptidase. MEROPS family M19
To be Published
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3FDX
 | | Putative filament protein / universal stress protein F from Klebsiella pneumoniae. | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, FORMIC ACID, MAGNESIUM ION, ... | | Authors: | Osipiuk, J, Volkart, L, Bearden, J, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2008-11-26 | | Release date: | 2008-12-16 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | X-ray crystal structure of putative filament protein / universal stress protein F from Klebsiella pneumoniae.
To be Published
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3SYX
 | | Crystal Structure of the WH1 domain from human sprouty-related, EVH1 domain-containing protein. Northeast Structural Genomics Consortium Target HR5538B. | | Descriptor: | Sprouty-related, EVH1 domain-containing protein 1, YTTRIUM (III) ION | | Authors: | Vorobiev, S, Su, M, Seetharaman, J, Sahdev, S, Xiao, R, Ciccosanti, C, Shastry, R, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2011-07-18 | | Release date: | 2011-08-03 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.453 Å) | | Cite: | Crystal Structure of the WH1 domain from human sprouty-related, EVH1 domain-containing protein.
To be Published
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3FFS
 | | The Crystal Structure of Cryptosporidium parvum Inosine-5'-Monophosphate Dehydrogenase | | Descriptor: | Inosine-5-monophosphate dehydrogenase | | Authors: | Riera, T.V, D'Aquino, J.A, Lu, J, Petsko, G.A, Hedstrom, L. | | Deposit date: | 2008-12-04 | | Release date: | 2009-12-15 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (3.19 Å) | | Cite: | The structural basis of Cryptosporidium -specific IMP dehydrogenase inhibitor selectivity
J.Am.Chem.Soc., 132, 2010
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3FFY
 | | Putative tetrapyrrole (corrin/porphyrin) methyltransferase from Bacteroides fragilis. | | Descriptor: | Putative tetrapyrrole (Corrin/porphyrin) methylase, SULFATE ION | | Authors: | Osipiuk, J, Volkart, L, Cobb, G, Kim, Y, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2008-12-04 | | Release date: | 2008-12-16 | | Last modified: | 2017-11-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | X-ray crystal structure of putative tetrapyrrole (corrin/porphyrin) methyltransferase from Bacteroides fragilis.
To be Published
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3FM9
 | | Analysis of the Structural Determinants Underlying Discrimination between Substrate and Solvent in beta-Phosphoglucomutase Catalysis | | Descriptor: | Beta-phosphoglucomutase, MAGNESIUM ION | | Authors: | Finci, L, Lahiri, S, Peisach, E, Allen, K.N. | | Deposit date: | 2008-12-19 | | Release date: | 2009-06-09 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Analysis of the structural determinants underlying discrimination between substrate and solvent in beta-phosphoglucomutase catalysis.
Biochemistry, 48, 2009
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