5LI0
 
 | | 70S ribosome from Staphylococcus aureus | | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | | Authors: | Khusainov, I, Vicens, Q, Bochler, A, Grosse, F, Myasnikov, A, Menetret, J.F, Chicher, J, Marzi, S, Romby, P, Yusupova, G, Yusupov, M, Hashem, Y. | | Deposit date: | 2016-07-13 | | Release date: | 2016-12-28 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Structure of the 70S ribosome from human pathogen Staphylococcus aureus.
Nucleic Acids Res., 44, 2016
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5LWR
 | | Endothiapepsin in complex with a derivative of fragment 177 | | Descriptor: | 1,2-ETHANEDIOL, 4-[12-[(1-chloranyl-5,6,7-trimethyl-pyrrolo[3,4-d]pyridazin-3-ium-3-yl)methyl]-10,11-dimethyl-3,4,6,7,11-pentazatricyclo[7.3.0.0^{2,6}]dodeca-1(12),2,4,7,9-pentaen-5-yl]-1,2,5-trimethyl-pyrrole-3-carbaldehyde, ACETATE ION, ... | | Authors: | Ehrmann, F.R, Schiebel, J, Heine, A, Klebe, G. | | Deposit date: | 2016-09-19 | | Release date: | 2017-08-09 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.249 Å) | | Cite: | A False-Positive Screening Hit in Fragment-Based Lead Discovery: Watch out for the Red Herring.
Angew. Chem. Int. Ed. Engl., 56, 2017
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6KNR
 | | Crystal structure of Estrogen-related receptor gamma ligand-binding domain with DN200699 | | Descriptor: | (E)-4-(1-(4-(1-cyclopropylpiperidin-4-yl)phenyl)-5-hydroxy-2-phenylpent-1-en-1-yl)phenol, Estrogen-related receptor gamma | | Authors: | Yoon, H, Kim, J, Chin, J, Song, J, Cho, S.J. | | Deposit date: | 2019-08-07 | | Release date: | 2020-08-12 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.804 Å) | | Cite: | An orally available inverse agonist of estrogen-related receptor gamma showed expanded efficacy for the radioiodine therapy of poorly differentiated thyroid cancer.
Eur.J.Med.Chem., 205, 2020
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3K6V
 | | M. acetivorans Molybdate-Binding Protein (ModA) in Citrate-Bound Open Form | | Descriptor: | CITRIC ACID, Solute-binding protein MA_0280 | | Authors: | Chan, S, Giuroiu, I, Chernishof, I, Sawaya, M.R, Chiang, J, Gunsalus, R.P, Arbing, M.A, Perry, L.J. | | Deposit date: | 2009-10-09 | | Release date: | 2010-01-12 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Apo and ligand-bound structures of ModA from the archaeon Methanosarcina acetivorans
Acta Crystallogr.,Sect.F, 66, 2010
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3ZUE
 | | Rabbit Hemorrhagic Disease Virus (RHDV)capsid protein | | Descriptor: | CAPSID STRUCTURAL PROTEIN VP60 | | Authors: | Luque, D, Gonzalez, J.M, Gomez-Blanco, J, Marabini, R, Chichon, J, Mena, I, Angulo, I, Carrascosa, J.L, Verdaguer, N, Trus, B.L, Barcena, J, Caston, J.R. | | Deposit date: | 2011-07-18 | | Release date: | 2012-05-23 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (10.3 Å) | | Cite: | Epitope Insertion at the N-Terminal Molecular Switch of the Rabbit Hemorrhagic Disease Virus T=3 Capsid Protein Leads to Larger T=4 Capsids.
J.Virol., 86, 2012
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2WDU
 | | Fasciola hepatica sigma class GST | | Descriptor: | BROMIDE ION, DIMETHYL SULFOXIDE, GLUTATHIONE, ... | | Authors: | Line, K, Isupov, M.N, LaCourse, E.J, Brophy, P.M, Littlechild, J.A. | | Deposit date: | 2009-03-26 | | Release date: | 2010-04-21 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | The 1.6 Angstrom Crystal Structure of the Fasciola Hepatica Sigma Class Gst
To be Published
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4F1E
 | | The Crystal Structure of a Human MitoNEET mutant with Asp 67 replaced by a Gly | | Descriptor: | CDGSH iron-sulfur domain-containing protein 1, FE2/S2 (INORGANIC) CLUSTER | | Authors: | Baxter, E.I, Zuris, J.A, Wang, C, Axelrod, H.L, Cohen, A.E, Paddock, M.L, Nechushtai, R, Onuchic, J.N, Jennings, P.A. | | Deposit date: | 2012-05-06 | | Release date: | 2012-12-26 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Allosteric control in a metalloprotein dramatically alters function.
Proc.Natl.Acad.Sci.USA, 110, 2013
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3K6W
 | | Apo and ligand bound structures of ModA from the archaeon Methanosarcina acetivorans | | Descriptor: | MOLYBDATE ION, SULFATE ION, Solute-binding protein MA_0280 | | Authors: | Chan, S, Chernishof, I, Giuroiu, I, Sawaya, M.R, Chiang, J, Gunsalus, R.P, Arbing, M.A, Perry, L.J. | | Deposit date: | 2009-10-09 | | Release date: | 2010-01-12 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Apo and ligand-bound structures of ModA from the archaeon Methanosarcina acetivorans
Acta Crystallogr.,Sect.F, 66, 2010
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2WB9
 | | Fasciola hepatica sigma class GST | | Descriptor: | BROMIDE ION, CYSTEINE, GLUTATHIONE, ... | | Authors: | Line, K, Isupov, M.N, LaCourse, J, Brophy, P.M, Littlechild, J.A. | | Deposit date: | 2009-02-23 | | Release date: | 2010-03-31 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | The 1.6 Angstrom Crystal Structure of the Fasciola Hepatica Sigma Class Gst
To be Published
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6A6K
 | | Crystal structure of Estrogen-related Receptor-3 (ERR-gamma) ligand binding domain with DN201000 | | Descriptor: | 3-[(~{E})-5-oxidanyl-2-phenyl-1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pent-1-enyl]phenol, Estrogen-related receptor gamma | | Authors: | Yoon, H, Kim, J, Chin, J, Cho, S.J, Song, J. | | Deposit date: | 2018-06-28 | | Release date: | 2019-04-10 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Discovery of Potent, Selective, and Orally Bioavailable Estrogen-Related Receptor-gamma Inverse Agonists To Restore the Sodium Iodide Symporter Function in Anaplastic Thyroid Cancer.
J. Med. Chem., 62, 2019
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1P4D
 | | F factor TraI Relaxase Domain | | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, TraI protein | | Authors: | Datta, S, Larkin, C, Schildbach, J.F. | | Deposit date: | 2003-04-22 | | Release date: | 2003-10-14 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural insights into single-stranded DNA binding and cleavage by F factor TraI.
Structure, 11, 2003
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2X53
 | | Structure of the phage p2 baseplate in its activated conformation with Sr | | Descriptor: | ORF15, ORF16, PUTATIVE RECEPTOR BINDING PROTEIN, ... | | Authors: | Sciara, G, Bebeacua, C, Bron, P, Tremblay, D, Ortiz-Lombardia, M, Lichiere, J, van Heel, M, Campanacci, V, Moineau, S, Cambillau, C. | | Deposit date: | 2010-02-05 | | Release date: | 2010-02-16 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.9 Å) | | Cite: | Structure of Lactococcal Phage P2 Baseplate and its Mechanism of Activation.
Proc.Natl.Acad.Sci.USA, 107, 2010
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1ONV
 | | NMR Structure of a Complex Containing the TFIIF Subunit RAP74 and the RNAP II CTD Phosphatase FCP1 | | Descriptor: | Transcription initiation factor IIF, alpha subunit, serine phosphatase FCP1a | | Authors: | Nguyen, B.D, Abbott, K.L, Potempa, K, Kobor, M.S, Archambault, J, Greenblatt, J, Legault, P, Omichinski, J.G. | | Deposit date: | 2003-03-02 | | Release date: | 2003-05-20 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | NMR Structure of a Complex Containing the TFIIF Subunit RAP74 and the RNA polymerase II carboxyl-terminal domain phosphatase FCP1
Proc.Natl.Acad.Sci.USA, 100, 2003
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4EHK
 | | Allosteric Modulation of Caspase-3 through Mutagenesis | | Descriptor: | ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, Caspase-3 | | Authors: | Walters, J, Schipper, J.L, Swartz, P.D, Mattos, C, Clark, A.C. | | Deposit date: | 2012-04-02 | | Release date: | 2012-06-06 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (1.668 Å) | | Cite: | Allosteric modulation of caspase 3 through mutagenesis.
Biosci.Rep., 32, 2012
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1B7G
 | | GLYCERALDEHYDE 3-PHOSPHATE DEHYDROGENASE | | Descriptor: | PROTEIN (GLYCERALDEHYDE 3-PHOSPHATE DEHYDROGENASE), SULFATE ION | | Authors: | Isupov, M.N, Littlechild, J.A. | | Deposit date: | 1999-01-22 | | Release date: | 1999-10-08 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Crystal structure of the glyceraldehyde-3-phosphate dehydrogenase from the hyperthermophilic archaeon Sulfolobus solfataricus.
J.Mol.Biol., 291, 1999
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6ECD
 | | Vlm2 thioesterase domain with genetically encoded 2,3-diaminopropionic acid bound with a tetradepsipeptide | | Descriptor: | Vlm2, tetradepsipeptide | | Authors: | Alonzo, D.A, Huguenin-Dezot, N, Heberlig, G.W, Mahesh, M, Nguyen, D.P, Dornan, M.H, Boddy, C.N, Chin, J.W, Schmeing, T.M. | | Deposit date: | 2018-08-07 | | Release date: | 2018-12-12 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Trapping biosynthetic acyl-enzyme intermediates with encoded 2,3-diaminopropionic acid.
Nature, 565, 2019
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4EZF
 | | The Crystal Structure of a Human MitoNEET mutant with an Ala inserted between Asp 67 and Lys 68 | | Descriptor: | CDGSH iron-sulfur domain-containing protein 1, FE2/S2 (INORGANIC) CLUSTER | | Authors: | Baxter, E.L, Zuris, J.A, Wang, C, Axelrod, H.L, Cohen, A.E, Paddock, M.L, Nechushtai, R, Onuchic, J.N, Jennings, P.A. | | Deposit date: | 2012-05-02 | | Release date: | 2012-12-26 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.19 Å) | | Cite: | Allosteric control in a metalloprotein dramatically alters function.
Proc.Natl.Acad.Sci.USA, 110, 2013
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3U6X
 | | Phage TP901-1 baseplate tripod | | Descriptor: | BPP, BROMIDE ION, ORF48 | | Authors: | Veesler, D, Spinelli, S, Mahony, J, Lichiere, J, Blangy, S, Bricogne, G, Legrand, P, Ortiz-Lombardia, M, Campanacci, V.I, van Sinderen, D, Cambillau, C. | | Deposit date: | 2011-10-13 | | Release date: | 2012-07-04 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure of the phage TP901-1 1.8 MDa baseplate suggests an alternative host adhesion mechanism.
Proc.Natl.Acad.Sci.USA, 109, 2012
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7ADG
 | | Cocktail experiment G: fragments 216 and 338 at 90 mM concentration in complex with Endothiapepsin | | Descriptor: | 2-(1H-imidazol-1-yl)-N-(trans-4-methylcyclohexyl)acetamide, ACETATE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Hassaan, E, Klebe, G, Heine, A, Schiebel, J, Koester, H. | | Deposit date: | 2020-09-14 | | Release date: | 2021-10-06 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.0794636 Å) | | Cite: | Comparison of Cocktail Screening in X-Ray Crystallography vs NMR
To Be Published
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7DN2
 | | Acidic stable capsid structure of Helicobacter pylori bacteriophage KHP30 | | Descriptor: | Cement protein gp15, Major structural protein ORF14 | | Authors: | Kamiya, R, Uchiyama, J, Matsuzaki, S, Murata, K, Iwasaki, K, Miyazaki, N. | | Deposit date: | 2020-12-08 | | Release date: | 2021-10-27 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Acid-stable capsid structure of Helicobacter pylori bacteriophage KHP30 by single-particle cryoelectron microscopy.
Structure, 30, 2022
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6ECE
 | | Vlm2 thioesterase domain with genetically encoded 2,3-diaminopropionic acid bound with a dodecadepsipeptide, space group H3 | | Descriptor: | Vlm2, dodecadepsipeptide | | Authors: | Alonzo, D.A, Huguenin-Dezot, N, Heberlig, G.W, Mahesh, M, Nguyen, D.P, Dornan, M.H, Boddy, C.N, Chin, J.W, Schmeing, T.M. | | Deposit date: | 2018-08-07 | | Release date: | 2018-12-12 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Trapping biosynthetic acyl-enzyme intermediates with encoded 2,3-diaminopropionic acid.
Nature, 565, 2019
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1NHA
 | | Solution Structure of the Carboxyl-Terminal Domain of RAP74 and NMR Characterization of the FCP-Binding Sites of RAP74 and CTD of RAP74, the subunit of Human TFIIF | | Descriptor: | Transcription initiation factor IIF, alpha subunit | | Authors: | Nguyen, B.D, Chen, H.T, Kobor, M.S, Greenblatt, J, Legault, P, Omichinski, J.G. | | Deposit date: | 2002-12-19 | | Release date: | 2003-02-25 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution Structure of the Carboxyl-Terminal Domain of RAP74 and NMR Characterization of the FCP1-Binding Sites of RAP74 and Human TFIIB.
Biochemistry, 42, 2003
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4GAI
 | | Crystal structure of EBI-005, a chimera of human IL-1beta and IL-1Ra | | Descriptor: | EBI-005 | | Authors: | Hou, J, Townson, S.A, Kovalchin, J.T, Masci, A, Kiner, O, Shu, Y, King, B, Thomas, C, Garcia, K.C, Furfine, E.S, Barnes, T.M. | | Deposit date: | 2012-07-25 | | Release date: | 2013-02-20 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Design of a superior cytokine antagonist for topical ophthalmic use.
Proc.Natl.Acad.Sci.USA, 110, 2013
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5Y7X
 | | Human Peroxisome proliferator-activated receptor (PPAR) delta in complexed with a potent and selective agonist | | Descriptor: | 2-[2-methyl-4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-selenazol-5-yl]methylsulfanyl]phenoxy]ethanoic acid, CHLORIDE ION, POTASSIUM ION, ... | | Authors: | Kim, H.L, Chin, J.W, Cho, S.J, Song, J.Y, Yoon, H.S, Bae, J.H. | | Deposit date: | 2017-08-18 | | Release date: | 2018-08-01 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.699 Å) | | Cite: | Design, synthesis, and the X-ray co-crystal structure of Highly Potent, Selective, and Orally Bioavailable, Novel Peroxisome Proliferator-Activated Receptor delta Agonists
To Be Published
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2MBH
 | | NMR structure of EKLF(22-40)/Ubiquitin Complex | | Descriptor: | Krueppel-like factor 1, Ubiquitin | | Authors: | Raiola, L, Omichinski, J.G. | | Deposit date: | 2013-07-31 | | Release date: | 2013-10-09 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structural Characterization of a Noncovalent Complex between Ubiquitin and the Transactivation Domain of the Erythroid-Specific Factor EKLF.
Structure, 21, 2013
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