6DNK
 
 | | Human Stimulator of Interferon Genes | | Descriptor: | Stimulator of interferon genes protein, cGAMP | | Authors: | Fernandez, D, Li, L, Ergun, S.L. | | Deposit date: | 2018-06-06 | | Release date: | 2019-03-13 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | STING Polymer Structure Reveals Mechanisms for Activation, Hyperactivation, and Inhibition.
Cell, 178, 2019
|
|
3SUY
 | |
4ZAR
 | | Crystal Structure of Proteinase K from Engyodontium albuminhibited by METHOXYSUCCINYL-ALA-ALA-PRO-PHE-CHLOROMETHYL KETONE at 1.15 A resolution | | Descriptor: | CALCIUM ION, METHOXYSUCCINYL-ALA-ALA-PRO-PHE-CHLOROMETHYL KETONE, bound form, ... | | Authors: | Sawaya, M.R, Cascio, D, Collazo, M, Bond, C, Cohen, A, DeNicola, A, Eden, K, Jain, K, Leung, C, Lubock, N, McCormick, J, Rosinski, J, Spiegelman, L, Athar, Y, Tibrewal, N, Winter, J, Solomon, S. | | Deposit date: | 2015-04-14 | | Release date: | 2015-05-06 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Crystal Structure of Proteinase K from Engyodontium album inhibited by METHOXYSUCCINYL-ALA-ALA-PRO-PHE-CHLOROMETHYL KETONE at 1.15 A resolution
to be published
|
|
2PIN
 | | Thyroid receptor beta in complex with inhibitor | | Descriptor: | 1-(4-HEXYLPHENYL)PROP-2-EN-1-ONE, SULFATE ION, Thyroid hormone receptor beta-1, ... | | Authors: | Estebanez-Perpina, E, Jouravel, N, Baxter, J.D, Guy, L.R, Webb, P, Fletterick, R.J. | | Deposit date: | 2007-04-13 | | Release date: | 2008-02-26 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural insight into the mode of action of a direct inhibitor of coregulator binding to the thyroid hormone receptor.
Mol.Endocrinol., 21, 2007
|
|
4ZJX
 | |
2PRY
 | |
4ZJH
 | | Crystal structure of native alpha-2-macroglobulin from Escherichia coli spanning domains NIE-MG1. | | Descriptor: | ACETATE ION, GLYCEROL, alpha-2-Macroglobulin | | Authors: | Garcia-Ferrer, I, Arede, P, Gomez-Blanco, J, Luque, D, Duquerroy, S, Caston, J.R, Goulas, T, Gomis-Ruth, X.F. | | Deposit date: | 2015-04-29 | | Release date: | 2015-06-10 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural and functional insights into Escherichia coli alpha 2-macroglobulin endopeptidase snap-trap inhibition.
Proc.Natl.Acad.Sci.USA, 112, 2015
|
|
4ZM1
 | | Shigella flexneri lipopolysaccharide O-antigen chain-length regulator WzzBSF - wild type | | Descriptor: | CITRIC ACID, Chain length determinant protein, MAGNESIUM ION | | Authors: | Ericsson, D.J, Chang, C.-W, Lonhienne, T, Casey, L, Benning, F, Kobe, B, Tran, E.N.H, Morona, R. | | Deposit date: | 2015-05-02 | | Release date: | 2016-03-23 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Structural and Biochemical Analysis of a Single Amino-Acid Mutant of WzzBSF That Alters Lipopolysaccharide O-Antigen Chain Length in Shigella flexneri.
Plos One, 10, 2015
|
|
6E0G
 | | Mitochondrial peroxiredoxin from Leishmania infantum after heat stress without unfolding client protein | | Descriptor: | mitochondrial 2-cys-peroxiredoxin | | Authors: | Teixeira, F, Tse, E, Makepeace, K.A.T, Borchers, C.H, Castro, H, Tomas, A.M, Poole, L.B, Southworth, D.R, Jakob, U. | | Deposit date: | 2018-07-06 | | Release date: | 2019-02-20 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Chaperone activation and client binding of a 2-cysteine peroxiredoxin.
Nat Commun, 10, 2019
|
|
6E0K
 | | Structure of Rhodothermus marinus CdnE c-UMP-AMP synthase | | Descriptor: | cGAS/DncV-like nucleotidyltransferase in E. coli homolog | | Authors: | Eaglesham, J.B, Whiteley, A.T, de Oliveira Mann, C.C, Morehouse, B.R, Nieminen, E.A, King, D.S, Lee, A.S.Y, Mekalanos, J.J, Kranzusch, P.J. | | Deposit date: | 2018-07-06 | | Release date: | 2019-02-20 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Bacterial cGAS-like enzymes synthesize diverse nucleotide signals.
Nature, 567, 2019
|
|
6E1V
 | | Crystal structure of a class I PreQ1 riboswitch complexed with a synthetic compound 3: 2-[(9H-carbazol-3-yl)oxy]-N,N-dimethylethan-1-amine | | Descriptor: | 2-[(9H-carbazol-3-yl)oxy]-N,N-dimethylethan-1-amine, RNA (33-MER) | | Authors: | Numata, T, Connelly, C.M, Schneekloth, J.S, Ferre-D'Amare, A.R. | | Deposit date: | 2018-07-10 | | Release date: | 2019-04-10 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.56 Å) | | Cite: | Synthetic ligands for PreQ1riboswitches provide structural and mechanistic insights into targeting RNA tertiary structure.
Nat Commun, 10, 2019
|
|
6E0F
 | | Mitochondrial peroxiredoxin from Leishmania infantum in complex with unfolding client protein after heat stress | | Descriptor: | mitochondrial 2-cys-peroxiredoxin | | Authors: | Teixeira, F, Tse, E, Makepeace, K.A.T, Borchers, C.H, Castro, H, Tomas, A.M, Poole, L.B, Southworth, D.R, Jakob, U. | | Deposit date: | 2018-07-06 | | Release date: | 2019-02-20 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Chaperone activation and client binding of a 2-cysteine peroxiredoxin.
Nat Commun, 10, 2019
|
|
6E1I
 | |
4ZTC
 | | PglE Aminotransferase in complex with External Aldimine, Mutant K184A | | Descriptor: | Aminotransferase homolog, [(2R,3R,4R,5S,6R)-3-acetamido-6-methyl-5-[(E)-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]-4-oxidanyl-oxan-2-yl] [[(2R,3S,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate | | Authors: | Riegert, A.S, Thoden, J.B, Young, N.M, Watson, D.C, Holden, H.M. | | Deposit date: | 2015-05-14 | | Release date: | 2015-07-29 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure of the external aldimine form of PglE, an aminotransferase required for N,N'-diacetylbacillosamine biosynthesis.
Protein Sci., 24, 2015
|
|
4ZTG
 | |
4ZVI
 | | GYRASE B IN COMPLEX WITH 4,5-DIBROMOPYRROLAMIDE-BASED INHIBITOR | | Descriptor: | DNA gyrase subunit B, IODIDE ION, N-(4-{[(4,5-dibromo-1H-pyrrol-2-yl)carbonyl]amino}benzoyl)glycine | | Authors: | Zidar, N, Macut, H, Tomasic, T, Brvar, M, Montalvao, S, Tammela, P, Solmajer, T, Peterlin Masic, L, Ilas, J, Kikelj, D. | | Deposit date: | 2015-05-18 | | Release date: | 2015-07-15 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | N-Phenyl-4,5-dibromopyrrolamides and N-Phenylindolamides as ATP Competitive DNA Gyrase B Inhibitors: Design, Synthesis, and Evaluation.
J.Med.Chem., 58, 2015
|
|
6E3S
 | | Crystal Structure of the Heterodimeric HIF-2 Complex with Antagonist PT2385 | | Descriptor: | 3-{[(1S)-2,2-difluoro-1-hydroxy-7-(methylsulfonyl)-2,3-dihydro-1H-inden-4-yl]oxy}-5-fluorobenzonitrile, Aryl hydrocarbon receptor nuclear translocator, Endothelial PAS domain-containing protein 1 | | Authors: | Wu, D, Su, X, Lu, J, Li, S, Hood, B, Vasile, S, Potluri, N, Diao, X, Kim, Y, Khorasanizadeh, S, Rastinejad, F. | | Deposit date: | 2018-07-15 | | Release date: | 2019-02-13 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Bidirectional modulation of HIF-2 activity through chemical ligands.
Nat. Chem. Biol., 15, 2019
|
|
4ZVT
 | |
6E0M
 | | Structure of Elizabethkingia meningoseptica CdnE cyclic dinucleotide synthase | | Descriptor: | DIPHOSPHATE, cGAS/DncV-like nucleotidyltransferase in E. coli homolog | | Authors: | Eaglesham, J.B, Whiteley, A.T, de Oliveira Mann, C.C, Morehouse, B.R, Nieminen, E.A, King, D.S, Lee, A.S.Y, Mekalanos, J.J, Kranzusch, P.J. | | Deposit date: | 2018-07-06 | | Release date: | 2019-02-20 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | Bacterial cGAS-like enzymes synthesize diverse nucleotide signals.
Nature, 567, 2019
|
|
6E3T
 | | Crystal Structure of the Heterodimeric HIF-2 Complex with Antagonist T1001 | | Descriptor: | (6S)-6-(4-bromophenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole, Aryl hydrocarbon receptor nuclear translocator, Endothelial PAS domain-containing protein 1 | | Authors: | Wu, D, Su, X, Lu, J, Li, S, Hood, B, Vasile, S, Potluri, N, Diao, X, Kim, Y, Khorasanizadeh, S, Rastinejad, F. | | Deposit date: | 2018-07-15 | | Release date: | 2019-02-13 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Bidirectional modulation of HIF-2 activity through chemical ligands.
Nat. Chem. Biol., 15, 2019
|
|
1G37
 | | CRYSTAL STRUCTURE OF HUMAN ALPHA-THROMBIN COMPLEXED WITH BCH-10556 AND EXOSITE-DIRECTED PEPTIDE | | Descriptor: | 3-(4-AMINO-CYCLOHEXYL)-2-HYDROXY-3-[(4-OXO-2-PHENYLMETHANESULFONYL-1,2,3,4-TETRAHYDRO-PYRROLO[1,2-A]PYRAZINE-6-CARBONYL)-AMINO]-PROPIONIC ACID BUTYL ESTER, ALPHA THROMBIN, THROMBIN NONAPEPTIDE INHIBITOR | | Authors: | Bachand, B, Tarazi, M, St-Denis, Y, Edmunds, J.J, Winocour, P.D, Leblond, L, Siddiqui, M.A. | | Deposit date: | 2000-10-23 | | Release date: | 2001-04-21 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Potent and selective bicyclic lactam inhibitors of thrombin. Part 4: transition state inhibitors.
Bioorg.Med.Chem.Lett., 11, 2001
|
|
6E3U
 | | Crystal Structure of the Heterodimeric HIF-2 Complex with Agonist M1001 | | Descriptor: | 3-{[2-(pyrrolidin-1-yl)phenyl]amino}-1H-1lambda~6~,2-benzothiazole-1,1-dione, Aryl hydrocarbon receptor nuclear translocator, Endothelial PAS domain-containing protein 1 | | Authors: | Wu, D, Su, X, Lu, J, Li, S, Hood, B, Vasile, S, Potluri, N, Diao, X, Kim, Y, Khorasanizadeh, S, Rastinejad, F. | | Deposit date: | 2018-07-15 | | Release date: | 2019-02-13 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Bidirectional modulation of HIF-2 activity through chemical ligands.
Nat. Chem. Biol., 15, 2019
|
|
4ZTI
 | |
5AC2
 | | human aldehyde dehydrogenase 1A1 with duocarmycin analog | | Descriptor: | 1-[(1S)-1-methyl-5-oxidanyl-1,2-dihydrobenzo[e]indol-3-yl]hexan-1-one, RETINAL DEHYDROGENASE 1, YTTERBIUM (III) ION, ... | | Authors: | Koch, M.F, Harteis, S, Blank, I.D, Pestel, G, Tietze, L.F, Ochsenfeld, C, Schneider, S, Sieber, S.A. | | Deposit date: | 2015-08-11 | | Release date: | 2015-08-26 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structural, Biochemical, and Computational Studies Reveal the Mechanism of Selective Aldehyde Dehydrogenase 1A1 Inhibition by Cytotoxic Duocarmycin Analogues.
Angew.Chem.Int.Ed.Engl., 54, 2015
|
|
5A1J
 | | Periplasmic Binding Protein CeuE in complex with ferric 4-LICAM | | Descriptor: | ENTEROCHELIN UPTAKE PERIPLASMIC BINDING PROTEIN, FE (III) ION, N,N'-butane-1,4-diylbis(2,3-dihydroxybenzamide) | | Authors: | Raines, D.J, Moroz, O.V, Wilson, K.S, Duhme-Klair, A.K. | | Deposit date: | 2015-04-30 | | Release date: | 2015-05-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Interactions of a Periplasmic Binding Protein with a Tetradentate Siderophore Mimic.
Angew.Chem.Int.Ed.Engl., 52, 2013
|
|
