5L6B
| Yeast 20S proteasome with mouse beta5i (1-138) and mouse beta6 (97-111; 118-133) in complex with ONX 0914 | Descriptor: | 1,2,4-trideoxy-4-methyl-2-{[N-(morpholin-4-ylacetyl)-L-alanyl-O-methyl-L-tyrosyl]amino}-1-phenyl-D-xylitol, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, ... | Authors: | Groll, M, Huber, E.M. | Deposit date: | 2016-05-28 | Release date: | 2016-11-09 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | A humanized yeast proteasome identifies unique binding modes of inhibitors for the immunosubunit beta 5i. EMBO J., 35, 2016
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5UYS
| Human steroidogenic cytochrome P450 17A1 with 3alphaOH-5alpha-abiraterone analog | Descriptor: | (3alpha,5alpha,8alpha)-17-(pyridin-3-yl)androst-16-en-3-ol, PROTOPORPHYRIN IX CONTAINING FE, Steroid 17-alpha-hydroxylase/17,20 lyase | Authors: | Scott, E.E, Petrunak, E.M. | Deposit date: | 2017-02-24 | Release date: | 2018-02-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.392 Å) | Cite: | Human cytochrome P450 17A1 structures with metabolites of prostate cancer drug abiraterone reveal substrate-binding plasticity and a second binding site. J.Biol.Chem., 299, 2023
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2FK9
| Human protein kinase C, eta | Descriptor: | protein kinase C, eta type | Authors: | Walker, J.R, Littler, D.R, Finerty Jr, P.J, MacKenzie, F, Newman, E.M, Weigelt, J, Sundstrom, M, Arrowsmith, C, Edwards, A, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | Deposit date: | 2006-01-04 | Release date: | 2006-01-17 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structure of human protein kinase C eta (PKCeta) C2 domain and identification of phosphorylation sites. Biochem.Biophys.Res.Commun., 349, 2006
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6TGG
| scFv-1SM3 in complex with glycopeptide containing an sp2-imino sugar | Descriptor: | 1,2-ETHANEDIOL, Mucin-1, ScFv_SM3, ... | Authors: | Bermejo, I.A, Navo, C.D, Castro-Lopez, J, Samchez-Fernandez, E.M, Guerreiro, A, Avenoza, A, Busto, J.H, Garcia-Martin, F, Nishimura, S.I, Garcia-Fernandez, J.M, Ortiz-Mellet, C, Bernardes, G.J.L, Hurtado-Guerrero, R, Peregrina, J.M, Corzana, F. | Deposit date: | 2019-11-15 | Release date: | 2020-04-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Synthesis, conformational analysis and in vivo assays of an anti-cancer vaccine that features an unnatural antigen based on an sp 2 -iminosugar fragment. Chem Sci, 11, 2020
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1E84
| Cytochrome c' from Alcaligenes xylosoxidans - reduced structure | Descriptor: | CYTOCHROME C', HEME C | Authors: | Lawson, D.M, Stevenson, C.E.M, Andrew, C.R, Eady, R.R. | Deposit date: | 2000-09-15 | Release date: | 2000-11-06 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Unprecedented Proximal Binding of Nitric Oxide to Heme: Implications for Guanylate Cyclase Embo J., 19, 2000
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1E86
| Cytochrome c' from Alcaligenes xylosoxidans - reduced structure with CO bound to distal side of heme | Descriptor: | CARBON MONOXIDE, CYTOCHROME C', HEME C | Authors: | Lawson, D.M, Stevenson, C.E.M, Andrew, C.R, Eady, R.R. | Deposit date: | 2000-09-15 | Release date: | 2000-11-06 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Unprecedented Proximal Binding of Nitric Oxide to Heme: Implications for Guanylate Cyclase Embo J., 19, 2000
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5L40
| polyketide ketoreductase SimC7 - apo crystal form 1 | Descriptor: | polyketide ketoreductase SimC7 | Authors: | Schafer, M, Stevenson, C.E.M, Wilkinson, B, Lawson, D.M, Buttner, M.J. | Deposit date: | 2016-05-24 | Release date: | 2016-10-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Substrate-Assisted Catalysis in Polyketide Reduction Proceeds via a Phenolate Intermediate. Cell Chem Biol, 23, 2016
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5L5P
| Yeast 20S proteasome with human beta5i (1-138) and human beta6 (97-111; 118-133) in complex with epoxyketone inhibitor 17 | Descriptor: | (2~{S})-3-(4-methoxyphenyl)-~{N}-[(2~{S},3~{S},4~{R})-4-methyl-3,5-bis(oxidanyl)-1-phenyl-pentan-2-yl]-2-[[(2~{R})-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]propanamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, ... | Authors: | Groll, M, Huber, E.M. | Deposit date: | 2016-05-28 | Release date: | 2016-11-09 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | A humanized yeast proteasome identifies unique binding modes of inhibitors for the immunosubunit beta 5i. EMBO J., 35, 2016
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5L5D
| Yeast 20S proteasome with human beta5i (1-138) and human beta6 (97-111; 118-133) in complex with ONX 0914 | Descriptor: | 1,2,4-trideoxy-4-methyl-2-{[N-(morpholin-4-ylacetyl)-L-alanyl-O-methyl-L-tyrosyl]amino}-1-phenyl-D-xylitol, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, ... | Authors: | Groll, M, Huber, E.M. | Deposit date: | 2016-05-28 | Release date: | 2016-11-09 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | A humanized yeast proteasome identifies unique binding modes of inhibitors for the immunosubunit beta 5i. EMBO J., 35, 2016
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5L64
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5L5X
| Yeast 20S proteasome with human beta5c (1-138) and human beta6 (97-111; 118-133) in complex with ONX 0914 | Descriptor: | 1,2,4-trideoxy-4-methyl-2-{[N-(morpholin-4-ylacetyl)-L-alanyl-O-methyl-L-tyrosyl]amino}-1-phenyl-D-xylitol, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, ... | Authors: | Groll, M, Huber, E.M. | Deposit date: | 2016-05-28 | Release date: | 2016-11-09 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | A humanized yeast proteasome identifies unique binding modes of inhibitors for the immunosubunit beta 5i. EMBO J., 35, 2016
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6W7F
| Structure of EED bound to inhibitor 5285 | Descriptor: | 8-(6-cyclopropylpyridin-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-1-(methylsulfonyl)imidazo[1,5-c]pyrimidin-5-amine, GLYCEROL, Polycomb protein EED | Authors: | Petrunak, E.M, Stuckey, J.A. | Deposit date: | 2020-03-19 | Release date: | 2020-07-08 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | EEDi-5285: An Exceptionally Potent, Efficacious, and Orally Active Small-Molecule Inhibitor of Embryonic Ectoderm Development. J.Med.Chem., 63, 2020
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4DUD
| cytochrome P450 BM3h-2G9C6 MRI sensor, no ligand | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, cytochrome P450 BM3 variant 2G9C6 | Authors: | Brustad, E.M, Lelyveld, V.S, Snow, C.D, Crook, N, Martinez, F.M, Scholl, T.J, Jasanoff, A, Arnold, F.H. | Deposit date: | 2012-02-21 | Release date: | 2012-06-13 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structure-guided directed evolution of highly selective p450-based magnetic resonance imaging sensors for dopamine and serotonin. J.Mol.Biol., 422, 2012
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5TR0
| Lipoxygenase-1 (soybean) L754A mutant at 293K | Descriptor: | FE (II) ION, Seed linoleate 13S-lipoxygenase-1 | Authors: | Poss, E.M, Fraser, J.S. | Deposit date: | 2016-10-24 | Release date: | 2017-11-01 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Biophysical Characterization of a Disabled Double Mutant of Soybean Lipoxygenase: The "Undoing" of Precise Substrate Positioning Relative to Metal Cofactor and an Identified Dynamical Network. J.Am.Chem.Soc., 141, 2019
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5TOP
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4CPG
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5TQP
| LIPOXYGENASE-1 (SOYBEAN) I553G MUTANT AT 300K | Descriptor: | FE (III) ION, Seed linoleate 13S-lipoxygenase-1 | Authors: | Poss, E.M, Fraser, J.S. | Deposit date: | 2016-10-24 | Release date: | 2017-11-01 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Hydrogen-Deuterium Exchange of Lipoxygenase Uncovers a Relationship between Distal, Solvent Exposed Protein Motions and the Thermal Activation Barrier for Catalytic Proton-Coupled Electron Tunneling. ACS Cent Sci, 3, 2017
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6VLA
| Hs05 - Intragenic antimicrobial peptide | Descriptor: | Intragenic antimicrobial peptide | Authors: | Santos, M.A, Silva, E.M.C, Brand, G.D, Oliveira, A.L. | Deposit date: | 2020-01-23 | Release date: | 2020-12-02 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Characterization of novel human Intragenic Antimicrobial Peptides, incorporation and release studies from ureasil-polyether hybrid matrix Materials Science and Engineering C, Materials for Biological Applications, 119, 2020
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5OFM
| Crystal structure of human 3-phosphoglycerate dehydrogenase in complex with 5-amino-1-methyl-1H-indole | Descriptor: | 1-methylindol-5-amine, D-3-phosphoglycerate dehydrogenase | Authors: | Unterlass, J.E, Basle, A, Blackburn, T.J, Tucker, J, Cano, C, Noble, M.E.M, Curtin, N.J. | Deposit date: | 2017-07-11 | Release date: | 2017-08-16 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal structure of human 3-phosphoglycerate dehydrogenase in complex with 5-amino-1-methyl-1H-indole To be published
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5U05
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4J89
| Different photochemical events of a genetically encoded aryl azide define and modulate GFP fluorescence | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Green fluorescent protein, ... | Authors: | Reddington, S.C, Jones, D.D, Rizkallah, P.J, Tippmann, E.M. | Deposit date: | 2013-02-14 | Release date: | 2013-06-26 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Different Photochemical Events of a Genetically Encoded Phenyl Azide Define and Modulate GFP Fluorescence. Angew.Chem.Int.Ed.Engl., 52, 2013
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5NZ8
| Clostridium thermocellum cellodextrin phosphorylase with cellotetraose and phosphate bound | Descriptor: | Cellodextrin phosphorylase, PHOSPHATE ION, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose | Authors: | O'Neill, E.C, Pergolizzi, G, Stevenson, C.E.M, Lawson, D.M, Nepogodiev, S.A, Field, R.A. | Deposit date: | 2017-05-12 | Release date: | 2017-08-09 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Cellodextrin phosphorylase from Ruminiclostridium thermocellum: X-ray crystal structure and substrate specificity analysis. Carbohydr. Res., 451, 2017
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2FIC
| The crystal structure of the BAR domain from human Bin1/Amphiphysin II and its implications for molecular recognition | Descriptor: | Myc box-dependent-interacting protein 1, XENON | Authors: | Casal, E, Federici, L, Zhang, W, Fernandez-Recio, J, Priego, E.M, Miguel, R.N, Duhadaway, J.B, Prendergast, G.C, Luisi, B.F, Laue, E.D. | Deposit date: | 2005-12-29 | Release date: | 2006-11-14 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | The Crystal Structure of the BAR Domain from Human Bin1/Amphiphysin II and Its Implications for Molecular Recognition Biochemistry, 45, 2006
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2FIT
| FHIT (FRAGILE HISTIDINE TRIAD PROTEIN) | Descriptor: | FRAGILE HISTIDINE PROTEIN, SULFATE ION, beta-D-fructofuranose | Authors: | Lima, C.D, D'Amico, K.L, Naday, I, Rosenbaum, G, Westbrook, E.M, Hendrickson, W.A. | Deposit date: | 1997-05-17 | Release date: | 1997-11-19 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | MAD analysis of FHIT, a putative human tumor suppressor from the HIT protein family. Structure, 5, 1997
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2FLR
| Novel 5-Azaindole Factor VIIa Inhibitors | Descriptor: | Coagulation factor VII, Tissue factor, [2'-HYDROXY-3'-(1H-PYRROLO[3,2-C]PYRIDIN-2-YL)-BIPHENYL-3-YLMETHYL]-UREA | Authors: | Riggs, J.R, Hu, H, Kolesnikov, A, Tong, Z, Leahy, E.M, Wesson, K.E, Shrader, W.D, Vijaykumar, D, Wahl, T.A, Sprengeler, P.A, Green, M.J, Yu, C, Katz, B.A, Young, W.B. | Deposit date: | 2006-01-06 | Release date: | 2007-01-23 | Last modified: | 2017-10-18 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Novel 5-azaindole factor VIIa inhibitors. Bioorg.Med.Chem.Lett., 16, 2006
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