7BL9
 
 | | BAZ2A bromodomain in complex with GSK2801 chemical probe | | Descriptor: | 1,2-ETHANEDIOL, 1-{1-[2-(methylsulfonyl)phenyl]-7-propoxyindolizin-3-yl}ethanone, Bromodomain adjacent to zinc finger domain protein 2A | | Authors: | Dalle Vedove, A, Cazzanelli, G, Caflisch, A, Lolli, G. | | Deposit date: | 2021-01-18 | | Release date: | 2022-03-02 | | Last modified: | 2025-03-26 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Reevaluation of bromodomain ligands targeting BAZ2A.
Protein Sci., 32, 2023
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2ABI
 | | Crystal structure of the human mineralocorticoid receptor ligand-binding domain bound to deoxycorticosterone | | Descriptor: | DESOXYCORTICOSTERONE, Mineralocorticoid receptor | | Authors: | Huyet, J, Pinon, G.-M, Rochel, M, Mayer, C, Rafestin-Oblin, M.-E, Fagart, J. | | Deposit date: | 2005-07-15 | | Release date: | 2006-07-25 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | Crystal structure of the human mineralocorticoid receptor ligand-binding domain bound to deoxycorticosterone
To be published
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1N1G
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2B4L
 | | Crystal structure of the binding protein OpuAC in complex with glycine betaine | | Descriptor: | 1,2-ETHANEDIOL, Glycine betaine-binding protein, TRIMETHYL GLYCINE | | Authors: | Horn, C, Sohn-Boesser, L, Breed, J, Welte, W, Schmitt, L, Bremer, E. | | Deposit date: | 2005-09-26 | | Release date: | 2006-03-21 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Molecular Determinants for Substrate Specificity of the Ligand-binding Protein OpuAC from Bacillus subtilis for the Compatible Solutes Glycine Betaine and Proline Betaine.
J.Mol.Biol., 357, 2006
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4XNE
 | | Crystal structure of ERK2 in complex with an inhibitor | | Descriptor: | 1-phenyl-1H-1,2,4-triazole-3,5-diamine, Mitogen-activated protein kinase 1, SULFATE ION | | Authors: | Gelin, M, Allemand, F, Labesse, G, Guichou, J.F. | | Deposit date: | 2015-01-15 | | Release date: | 2015-08-12 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Combining `dry' co-crystallization and in situ diffraction to facilitate ligand screening by X-ray crystallography.
Acta Crystallogr.,Sect.D, 71, 2015
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4B0S
 | | Structure of the Deamidase-Depupylase Dop of the Prokaryotic Ubiquitin-like Modification Pathway in Complex with ATP | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, DEAMIDASE-DEPUPYLASE DOP, MAGNESIUM ION | | Authors: | Ozcelik, D, Barandun, J, Schmitz, N, Sutter, M, Guth, E, Damberger, F.F, Allain, F.H.-T, Ban, N, Weber-Ban, E. | | Deposit date: | 2012-07-04 | | Release date: | 2012-09-12 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Structures of Pup Ligase Pafa and Depupylase Dop from the Prokaryotic Ubiquitin-Like Modification Pathway.
Nat.Commun., 3, 2012
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4XP2
 | | Crystal structure of ERK2 in complex with an inhibitor | | Descriptor: | 1-phenyl-1H-1,2,4-triazole-3,5-diamine, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, ... | | Authors: | Gelin, M, Allemand, F, Labesse, G, Guichou, J.F. | | Deposit date: | 2015-01-16 | | Release date: | 2015-08-12 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.748 Å) | | Cite: | Combining `dry' co-crystallization and in situ diffraction to facilitate ligand screening by X-ray crystallography.
Acta Crystallogr.,Sect.D, 71, 2015
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3L9W
 | | KefC C-terminal domain in complex with KefF and GSH | | Descriptor: | ADENOSINE MONOPHOSPHATE, FLAVIN MONONUCLEOTIDE, GLUTATHIONE, ... | | Authors: | Roosild, T.P. | | Deposit date: | 2010-01-05 | | Release date: | 2010-11-17 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Mechanism of ligand-gated potassium efflux in bacterial pathogens.
Proc.Natl.Acad.Sci.USA, 107, 2010
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4IL5
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4XN6
 | | Crystal structure at room temperature of hen-egg lysozyme in complex with benzamidine | | Descriptor: | BENZAMIDINE, Lysozyme C | | Authors: | Gelin, M, Allemand, F, Labesse, G, Guichou, J.F. | | Deposit date: | 2015-01-15 | | Release date: | 2015-08-12 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Combining `dry' co-crystallization and in situ diffraction to facilitate ligand screening by X-ray crystallography.
Acta Crystallogr.,Sect.D, 71, 2015
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5AIN
 | | Varenicline Interactions at the 5HT3 Receptor Ligand Binding Site are Revealed by 5HTBP | | Descriptor: | SOLUBLE ACETYLCHOLINE RECEPTOR, VARENICLINE | | Authors: | Price, K.L, Lillestol, R, Ulens, C, Lummis, S.C. | | Deposit date: | 2015-02-16 | | Release date: | 2015-03-25 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Varenicline Interactions at the 5-Ht3 Receptor Ligand Binding Site are Revealed by 5-Htbp.
Acs Chem Neurosci, 6, 2015
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4FEL
 | | Crystal structure of the U25A/A46G mutant of the xpt-pbuX guanine riboswitch aptamer domain in complex with hypoxanthine | | Descriptor: | ACETATE ION, COBALT HEXAMMINE(III), HYPOXANTHINE, ... | | Authors: | Stoddard, C.D, Trausch, J.J, Widmann, J, Marcano, J, Knight, R, Batey, R.T. | | Deposit date: | 2012-05-30 | | Release date: | 2013-02-27 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Nucleotides Adjacent to the Ligand-Binding Pocket are Linked to Activity Tuning in the Purine Riboswitch.
J.Mol.Biol., 425, 2013
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4XOZ
 | | Crystal structure of ERK2 in complex with an inhibitor | | Descriptor: | Mitogen-activated protein kinase 1, N~1~-[3-(benzyloxy)benzyl]-1H-tetrazole-1,5-diamine, SULFATE ION | | Authors: | Gelin, M, Allemand, F, Labesse, G, Guichou, J.F. | | Deposit date: | 2015-01-16 | | Release date: | 2015-08-12 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Combining `dry' co-crystallization and in situ diffraction to facilitate ligand screening by X-ray crystallography.
Acta Crystallogr.,Sect.D, 71, 2015
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3L9X
 | | KefC C-terminal domain in complex with KefF and ESG | | Descriptor: | FLAVIN MONONUCLEOTIDE, Glutathione-regulated potassium-efflux system protein kefC, linker, ... | | Authors: | Roosild, T.P. | | Deposit date: | 2010-01-05 | | Release date: | 2010-11-17 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Mechanism of ligand-gated potassium efflux in bacterial pathogens.
Proc.Natl.Acad.Sci.USA, 107, 2010
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3PN3
 | | Crystal structure of Arabidopsis thaliana petide deformylase 1B (AtPDF1B) in complex with inhibitor 21 | | Descriptor: | Peptide deformylase 1B, chloroplastic, ZINC ION, ... | | Authors: | Fieulaine, S, Meinnel, T, Giglione, C. | | Deposit date: | 2010-11-18 | | Release date: | 2011-06-08 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Trapping conformational States along ligand-binding dynamics of Peptide deformylase: the impact of induced fit on enzyme catalysis.
Plos Biol., 9, 2011
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5ES4
 | | RE-REFINEMENT OF INTEGRIN ALPHAXBETA2 ECTODOMAIN IN THE CLOSED/BENT CONFORMATION | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Sen, M, Springer, T.A. | | Deposit date: | 2015-11-16 | | Release date: | 2016-03-02 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Leukocyte integrin alpha L beta 2 headpiece structures: The alpha I domain, the pocket for the internal ligand, and concerted movements of its loops.
Proc.Natl.Acad.Sci.USA, 113, 2016
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4XOY
 | | Crystal structure of ERK2 in complex with an inhibitor | | Descriptor: | 2-amino-1,9-dihydro-6H-purine-6-thione, Mitogen-activated protein kinase 1, SULFATE ION | | Authors: | Gelin, M, Allemand, F, Labesse, G, Guichou, J.F. | | Deposit date: | 2015-01-16 | | Release date: | 2015-08-12 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Combining `dry' co-crystallization and in situ diffraction to facilitate ligand screening by X-ray crystallography.
Acta Crystallogr.,Sect.D, 71, 2015
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3B99
 | | Crystal structure of zebrafish prostacyclin synthase (cytochrome P450 8A1) in complex with substrate analog U51605 | | Descriptor: | (5Z)-7-{(1R,4S,5R,6R)-6-[(1E)-oct-1-en-1-yl]-2,3-diazabicyclo[2.2.1]hept-2-en-5-yl}hept-5-enoic acid, PROTOPORPHYRIN IX CONTAINING FE, Prostaglandin I2 synthase | | Authors: | Li, Y.-C, Chiang, C.-W, Yeh, H.-C, Hsu, P.-Y, Whitby, F.G, Wang, L.-H, Chan, N.-L. | | Deposit date: | 2007-11-03 | | Release date: | 2007-11-20 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structures of Prostacyclin Synthase and Its Complexes with Substrate Analog and Inhibitor Reveal a Ligand-specific Heme Conformation Change
J.Biol.Chem., 283, 2008
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1M66
 | | Crystal Structure of Leishmania mexicana GPDH Complexed with Inhibitor 2-bromo-6-chloro-purine | | Descriptor: | 2-BROMO-6-CHLORO-PURINE, Glycerol-3-phosphate dehydrogenase, PALMITIC ACID | | Authors: | Choe, J, Suresh, S, Wisedchaisri, G, Kennedy, K.J, Gelb, M.H, Hol, W.G.J. | | Deposit date: | 2002-07-12 | | Release date: | 2002-12-11 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Anomalous differences of light elements in determining precise binding modes of ligands to
glycerol-3-phosphate dehydrogenase
Chem.Biol., 9, 2002
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4JBN
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4XP0
 | | Crystal structure of ERK2 in complex with an inhibitor | | Descriptor: | 1H-pyrrolo[2,3-b]pyridine-3-carbonitrile, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, ... | | Authors: | Gelin, M, Allemand, F, Labesse, G, Guichou, J.F. | | Deposit date: | 2015-01-16 | | Release date: | 2015-08-12 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | Combining `dry' co-crystallization and in situ diffraction to facilitate ligand screening by X-ray crystallography.
Acta Crystallogr.,Sect.D, 71, 2015
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4XRJ
 | | Crystal structure of ERK2 in complex with an inhibitor | | Descriptor: | Mitogen-activated protein kinase 1, N~1~-[3-(benzyloxy)benzyl]-1H-tetrazole-1,5-diamine, SULFATE ION | | Authors: | Gelin, M, Allemand, F, Labesse, G, Guichou, J.F. | | Deposit date: | 2015-01-21 | | Release date: | 2015-08-12 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Combining `dry' co-crystallization and in situ diffraction to facilitate ligand screening by X-ray crystallography.
Acta Crystallogr.,Sect.D, 71, 2015
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1WWT
 | | Solution structure of the TGS domain from human threonyl-tRNA synthetase | | Descriptor: | Threonyl-tRNA synthetase, cytoplasmic | | Authors: | Chikayama, E, Kigawa, T, Tomizawa, T, Koshiba, S, Inoue, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2005-01-18 | | Release date: | 2005-07-18 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the TGS domain from human threonyl-tRNA synthetase
To be Published
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3PN4
 | | Crystal structure of Arabidopsis thaliana petide deformylase 1B (AtPDF1B) in complex with actinonin (crystallized in PEG-550-MME) | | Descriptor: | ACTINONIN, Peptide deformylase 1B, chloroplastic, ... | | Authors: | Fieulaine, S, Meinnel, T, Giglione, C. | | Deposit date: | 2010-11-18 | | Release date: | 2011-06-08 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Trapping conformational States along ligand-binding dynamics of Peptide deformylase: the impact of induced fit on enzyme catalysis.
Plos Biol., 9, 2011
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5LGV
 | | GlgE isoform 1 from Streptomyces coelicolor E423A mutant soaked in maltooctaose | | Descriptor: | Alpha-1,4-glucan:maltose-1-phosphate maltosyltransferase 1, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | | Authors: | Syson, K, Stevenson, C.E.M, Mia, F, Barclay, J.E, Tang, M, Gorelik, A, Rashid, A.M, Lawson, D.M, Bornemann, S. | | Deposit date: | 2016-07-08 | | Release date: | 2016-08-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Ligand-bound structures and site-directed mutagenesis identify the acceptor and secondary binding sites of Streptomyces coelicolor maltosyltransferase GlgE.
J.Biol.Chem., 291, 2016
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