7OF8
| Keap1 kelch domain bound to a small molecule fragment | Descriptor: | (2~{S})-2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoic acid, Kelch-like ECH-associated protein 1 | 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 (1.78 Å) | Cite: | Development of Noncovalent Small-Molecule Keap1-Nrf2 Inhibitors by Fragment-Based Drug Discovery. J.Med.Chem., 65, 2022
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7ORB
| Crystal structure of the L452R mutant receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with COVOX-75 and COVOX-253 Fabs | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zhou, D, Ren, J, Stuart, D.I. | Deposit date: | 2021-06-04 | Release date: | 2021-07-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Reduced neutralization of SARS-CoV-2 B.1.617 by vaccine and convalescent serum. Cell, 184, 2021
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7OR9
| Crystal structure of the receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with COVOX-222 and COVOX-278 Fabs | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, COVOX-222 Fab heavy chain, ... | Authors: | Zhou, D, Ren, J, Stuart, D.I. | Deposit date: | 2021-06-04 | Release date: | 2021-07-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Reduced neutralization of SARS-CoV-2 B.1.617 by vaccine and convalescent serum. Cell, 184, 2021
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1D0R
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7ORA
| Crystal structure of the T478K mutant receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with COVOX-45 and COVOX-253 Fabs | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, COVOX-253 Fab heavy chain, ... | Authors: | Zhou, D, Ren, J, Stuart, D.I. | Deposit date: | 2021-06-04 | Release date: | 2021-07-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Reduced neutralization of SARS-CoV-2 B.1.617 by vaccine and convalescent serum. Cell, 184, 2021
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1D92
| REFINED CRYSTAL STRUCTURE OF AN OCTANUCLEOTIDE DUPLEX WITH G.T MISMATCHED BASE-PAIRS | Descriptor: | DNA (5'-D(*GP*GP*GP*GP*CP*TP*CP*C)-3') | Authors: | Hunter, W.N, Kneale, G, Brown, T, Rabinovich, D, Kennard, O. | Deposit date: | 1992-10-17 | Release date: | 1993-07-15 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Refined crystal structure of an octanucleotide duplex with G . T mismatched base-pairs. J.Mol.Biol., 190, 1986
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5SBF
| PanDDA analysis group deposition of ground-state model of SARS-CoV-2 NendoU | Descriptor: | CITRIC ACID, Uridylate-specific endoribonuclease | Authors: | Godoy, A.S, Douangamath, A, Nakamura, A.M, Dias, A, Krojer, T, Noske, G.D, Gawiljuk, V.O, Fernandes, R.S, Fairhead, M, Powell, A, Dunnet, L, Aimon, A, Fearon, D, Brandao-Neto, J, Skyner, R, von Delft, F, Oliva, G. | Deposit date: | 2021-07-23 | Release date: | 2022-02-09 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Allosteric regulation and crystallographic fragment screening of SARS-CoV-2 NSP15 endoribonuclease. Nucleic Acids Res., 51, 2023
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1D31
| THE THREE-DIMENSIONAL STRUCTURES OF BULGE-CONTAINING DNA FRAGMENTS | Descriptor: | DNA (5'-D(*CP*GP*CP*AP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3') | Authors: | Joshua-Tor, L, Frolow, F, Appella, E, Hope, H, Rabinovich, D, Sussman, J.L. | Deposit date: | 1991-04-25 | Release date: | 1992-04-15 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Three-dimensional structures of bulge-containing DNA fragments. J.Mol.Biol., 225, 1992
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1D5A
| CRYSTAL STRUCTURE OF AN ARCHAEBACTERIAL DNA POLYMERASE D.TOK. DEPOSITION OF SECOND NATIVE STRUCTURE AT 2.4 ANGSTROM | Descriptor: | MAGNESIUM ION, PROTEIN (DNA POLYMERASE), SULFATE ION | Authors: | Zhao, Y, Jeruzalmi, D, Leighton, L, Lasken, R, Kuriyan, J. | Deposit date: | 1999-10-06 | Release date: | 2000-03-24 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of an archaebacterial DNA polymerase. Structure Fold.Des., 7, 1999
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1CEW
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5FWQ
| Apo structure of human Leukotriene A4 hydrolase | Descriptor: | ACETATE ION, HUMAN LEUKOTRIENE A4 HYDROLASE, IMIDAZOLE, ... | Authors: | Wittmann, S.K, Kalinowsky, L, Kramer, J, Bloecher, R, Steinhilber, D, Pogoryelov, D, Proschak, E, Heering, J. | Deposit date: | 2016-02-19 | Release date: | 2016-10-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.047 Å) | Cite: | Thermodynamic properties of leukotriene A4hydrolase inhibitors. Bioorg.Med.Chem., 24, 2016
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1CTM
| CRYSTAL STRUCTURE OF CHLOROPLAST CYTOCHROME F REVEALS A NOVEL CYTOCHROME FOLD AND UNEXPECTED HEME LIGATION | Descriptor: | CYTOCHROME F, HEME C | Authors: | Martinez, S.E, Huang, D, Szczepaniak, A, Cramer, W.A, Smith, J.L. | Deposit date: | 1994-01-02 | Release date: | 1994-05-31 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of chloroplast cytochrome f reveals a novel cytochrome fold and unexpected heme ligation. Structure, 2, 1994
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8ACT
| structure of the human beta-cardiac myosin folded-back off state | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Myosin light chain 3, ... | Authors: | Grinzato, A, Kandiah, E, Robert-Paganin, J, Auguin, D, Kikuti, C, Nandwani, N, Moussaoui, D, Pathak, D, Ruppel, K.M, Spudich, J.A, Houdusse, A. | Deposit date: | 2022-07-06 | Release date: | 2023-06-07 | Last modified: | 2023-08-30 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Cryo-EM structure of the folded-back state of human beta-cardiac myosin. Nat Commun, 14, 2023
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5FGK
| CDK8-CYCC IN COMPLEX WITH 8-[3-(3-Amino-1H-indazol-6-yl)-5-chloro- pyridine-4-yl]-2,8-diaza-spiro[4.5]decan-1-one | Descriptor: | 1,2-ETHANEDIOL, 8-[3-(3-azanyl-2~{H}-indazol-6-yl)-5-chloranyl-pyridin-4-yl]-2,8-diazaspiro[4.5]decan-1-one, Cyclin-C, ... | Authors: | Musil, D, Blagg, J, Mallinger, A. | Deposit date: | 2015-12-20 | Release date: | 2016-02-03 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | Discovery of Potent, Selective, and Orally Bioavailable Small-Molecule Modulators of the Mediator Complex-Associated Kinases CDK8 and CDK19. J.Med.Chem., 59, 2016
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1DCM
| STRUCTURE OF UNPHOSPHORYLATED FIXJ-N WITH AN ATYPICAL CONFORMER (MONOMER A) | Descriptor: | MAGNESIUM ION, TRANSCRIPTIONAL REGULATORY PROTEIN FIXJ | Authors: | Gouet, P, Fabry, B, Guillet, V, Birck, C, Mourey, L, Kahn, D, Samama, J.P. | Deposit date: | 1999-11-05 | Release date: | 2000-11-08 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural transitions in the FixJ receiver domain. Structure Fold.Des., 7, 1999
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1DDY
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2A4Z
| Crystal Structure of human PI3Kgamma complexed with AS604850 | Descriptor: | (5E)-5-[(2,2-DIFLUORO-1,3-BENZODIOXOL-5-YL)METHYLENE]-1,3-THIAZOLIDINE-2,4-DIONE, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit, gamma isoform | Authors: | Camps, M, Ruckle, T, Ji, H, Ardissone, V, Rintelen, F, Shaw, J, Ferrandi, C, Chabert, C, Gillieron, C, Francon, B, Martin, T, Gretener, D, Perrin, D, Leroy, D, Vitte, P.-A, Hirsch, E, Wymann, M.P, Cirillo, R, Schwarz, M.K, Rommel, C. | Deposit date: | 2005-06-30 | Release date: | 2005-09-20 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Blockade of PI3Kgamma suppresses joint inflammation and damage in mouse models of rheumatoid arthritis NAT.MED. (N.Y.), 11, 2005
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1DB1
| CRYSTAL STRUCTURE OF THE NUCLEAR RECEPTOR FOR VITAMIN D COMPLEXED TO VITAMIN D | Descriptor: | 5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANE-1,3-DIOL, VITAMIN D NUCLEAR RECEPTOR | Authors: | Rochel, N, Wurtz, J.M, Mitschler, A, Klaholz, B, Moras, D. | Deposit date: | 1999-11-02 | Release date: | 2000-01-31 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The crystal structure of the nuclear receptor for vitamin D bound to its natural ligand. Mol.Cell, 5, 2000
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1DBW
| CRYSTAL STRUCTURE OF FIXJ-N | Descriptor: | POLYETHYLENE GLYCOL (N=34), TRANSCRIPTIONAL REGULATORY PROTEIN FIXJ | Authors: | Gouet, P, Fabry, B, Guillet, V, Birck, C, Mourey, L, Kahn, D, Samama, J.P. | Deposit date: | 1999-11-03 | Release date: | 1999-11-26 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural transitions in the FixJ receiver domain. Structure Fold.Des., 7, 1999
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1DP0
| E. COLI BETA-GALACTOSIDASE AT 1.7 ANGSTROM | Descriptor: | BETA-GALACTOSIDASE, DIMETHYL SULFOXIDE, MAGNESIUM ION, ... | Authors: | Juers, D.H, Jacobson, R.H, Wigley, D, Zhang, X.J, Huber, R.E, Tronrud, D.E, Matthews, B.W. | Deposit date: | 1999-12-22 | Release date: | 2001-02-21 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | High resolution refinement of beta-galactosidase in a new crystal form reveals multiple metal-binding sites and provides a structural basis for alpha-complementation. Protein Sci., 9, 2000
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1DTM
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1DCK
| STRUCTURE OF UNPHOSPHORYLATED FIXJ-N COMPLEXED WITH MN2+ | Descriptor: | MANGANESE (II) ION, POLYETHYLENE GLYCOL (N=34), TRANSCRIPTIONAL REGULATORY PROTEIN FIXJ | Authors: | Gouet, P, Fabry, B, Guillet, V, Birck, C, Mourey, L, Kahn, D, Samama, J.P. | Deposit date: | 1999-11-05 | Release date: | 1999-11-26 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural transitions in the FixJ receiver domain. Structure Fold.Des., 7, 1999
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1DJM
| SOLUTION STRUCTURE OF BEF3-ACTIVATED CHEY FROM ESCHERICHIA COLI | Descriptor: | CHEMOTAXIS PROTEIN Y | Authors: | Cho, H.S, Lee, S.Y, Yan, D, Pan, X, Parkinson, J.S, Kustu, S, Wemmer, D.E, Pelton, J.G. | Deposit date: | 1999-12-03 | Release date: | 2000-04-05 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | NMR structure of activated CheY. J.Mol.Biol., 297, 2000
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1DUO
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4WV3
| Crystal structure of the anthranilate CoA ligase AuaEII in complex with anthranoyl-AMP | Descriptor: | 5'-O-[(S)-[(2-aminobenzoyl)oxy](hydroxy)phosphoryl]adenosine, Anthranilate-CoA ligase | Authors: | Tsai, S.C, Muller, R, Jackson, D.R, Tu, S.S, Nguyen, M, Barajas, J.F, Pistorious, D, Krug, D. | Deposit date: | 2014-11-04 | Release date: | 2015-11-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.599 Å) | Cite: | Structural Insights into Anthranilate Priming during Type II Polyketide Biosynthesis. Acs Chem.Biol., 11, 2016
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