4LB3
| Crystal structure of human AR complexed with NADP+ and {5-chloro-2-[(2-fluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid | Descriptor: | Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {5-chloro-2-[(2-fluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid | Authors: | Cousido-Siah, A, Mitschler, A, Ruiz, F.X, Fanfrlik, J, Kolar, M, Hobza, P, Podjarny, A. | Deposit date: | 2013-06-20 | Release date: | 2014-04-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (0.8 Å) | Cite: | Modulation of aldose reductase inhibition by halogen bond tuning. Acs Chem.Biol., 8, 2013
|
|
4LAZ
| Crystal structure of human AR complexed with NADP+ and {5-chloro-2-[(4-iodobenzyl)carbamoyl]phenoxy}acetic acid | Descriptor: | Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {5-chloro-2-[(4-iodobenzyl)carbamoyl]phenoxy}acetic acid | Authors: | Cousido-Siah, A, Mitschler, A, Ruiz, F.X, Fanfrlik, J, Kolar, M, Hobza, P, Podjarny, A. | Deposit date: | 2013-06-20 | Release date: | 2014-04-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (0.85 Å) | Cite: | Modulation of aldose reductase inhibition by halogen bond tuning. Acs Chem.Biol., 8, 2013
|
|
4LAU
| Crystal structure of human AR complexed with NADP+ and {2-[(4-bromobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid | Descriptor: | Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {2-[(4-bromobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid | Authors: | Cousido-Siah, A, Mitschler, A, Ruiz, F.X, Fanfrlik, J, Kolar, M, Hobza, P, Podjarny, A. | Deposit date: | 2013-06-20 | Release date: | 2014-04-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (0.843 Å) | Cite: | Modulation of aldose reductase inhibition by halogen bond tuning. Acs Chem.Biol., 8, 2013
|
|
4LBR
| Crystal structure of human AR complexed with NADP+ and {5-chloro-2-[(2,6-difluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid | Descriptor: | Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {5-chloro-2-[(2,6-difluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid | Authors: | Cousido-Siah, A, Mitschler, A, Ruiz, F.X, Fanfrlik, J, Kolar, M, Hobza, P, Podjarny, A. | Deposit date: | 2013-06-21 | Release date: | 2014-04-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (0.8 Å) | Cite: | Modulation of aldose reductase inhibition by halogen bond tuning. Acs Chem.Biol., 8, 2013
|
|
4LB4
| Crystal structure of human AR complexed with NADP+ and {2-[(4-bromo-2,3,5,6-tetrafluorobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid | Descriptor: | Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {2-[(4-bromo-2,3,5,6-tetrafluorobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid | Authors: | Cousido-Siah, A, Mitschler, A, Ruiz, F.X, Fanfrlik, J, Kolar, M, Hobza, P, Podjarny, A. | Deposit date: | 2013-06-20 | Release date: | 2014-04-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (0.8 Å) | Cite: | Modulation of aldose reductase inhibition by halogen bond tuning. Acs Chem.Biol., 8, 2013
|
|
4LBS
| Crystal structure of human AR complexed with NADP+ and {2-[(4-bromo-2,6-difluorobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid | Descriptor: | Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {2-[(4-bromo-2,6-difluorobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid | Authors: | Cousido-Siah, A, Mitschler, A, Ruiz, F.X, Fanfrlik, J, Kolar, M, Hobza, P, Podjarny, A. | Deposit date: | 2013-06-21 | Release date: | 2014-04-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (0.76 Å) | Cite: | Modulation of aldose reductase inhibition by halogen bond tuning. Acs Chem.Biol., 8, 2013
|
|
4LK8
| Crystal structure of CyaY protein from Psychromonas ingrahamii in complex with Co(II) | Descriptor: | COBALT (II) ION, Protein CyaY | Authors: | Noguera, M.E, Roman, E.A, Cousido-Siah, A, Mitschler, A, Podjarny, A, Santos, J. | Deposit date: | 2013-07-07 | Release date: | 2014-07-16 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.494 Å) | Cite: | Structural characterization of metal binding to a cold-adapted frataxin J.Biol.Inorg.Chem., 20, 2015
|
|
4LP1
| Crystal structure of CyaY protein from Psychromonas ingrahamii in complex with Eu(III) | Descriptor: | EUROPIUM (III) ION, Protein CyaY | Authors: | Noguera, M.E, Roman, E.A, Cousido-Siah, A, Mitschler, A, Podjarny, A, Santos, J. | Deposit date: | 2013-07-14 | Release date: | 2014-07-16 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.803 Å) | Cite: | Structural characterization of metal binding to a cold-adapted frataxin J.Biol.Inorg.Chem., 20, 2015
|
|
1HTT
| HISTIDYL-TRNA SYNTHETASE | Descriptor: | ADENOSINE MONOPHOSPHATE, HISTIDINE, HISTIDYL-TRNA SYNTHETASE | Authors: | Arnez, J.G, Harris, D.C, Mitschler, A, Rees, B, Francklyn, C.S, Moras, D. | Deposit date: | 1996-03-09 | Release date: | 1997-01-27 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structure of histidyl-tRNA synthetase from Escherichia coli complexed with histidyl-adenylate. EMBO J., 14, 1995
|
|
4IE1
| Crystal structure of human Arginase-1 complexed with inhibitor 1h | Descriptor: | Arginase-1, MANGANESE (II) ION, [(5R)-5-amino-5-carboxy-8-hydroxyoctyl](trihydroxy)borate(1-) | Authors: | Cousido-Siah, A, Mitschler, A, Ruiz, F.X, Beckett, P, Van Zandt, M.C, Ji, M.K, Whitehouse, D, Ryder, T, Jagdmann, E, Andreoli, M, Mazur, A, Padmanilayam, M, Schroeter, H, Golebiowski, A, Podjarny, A. | Deposit date: | 2012-12-13 | Release date: | 2013-03-20 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.0006 Å) | Cite: | 2-Substituted-2-amino-6-boronohexanoic acids as arginase inhibitors. Bioorg.Med.Chem.Lett., 23, 2013
|
|
4IE3
| Crystal structure of human Arginase-2 complexed with inhbitor 1o | Descriptor: | Arginase-2, mitochondrial, BENZAMIDINE, ... | Authors: | Cousido-Siah, A, Mitschler, A, Ruiz, F.X, Beckett, P, Van Zandt, M.C, Ji, M.K, Whitehouse, D, Ryder, T, Jagdmann, E, Andreoli, M, Mazur, A, Padmanilayam, M, Schroeter, H, Golebiowski, A, Podjarny, A. | Deposit date: | 2012-12-13 | Release date: | 2013-03-20 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.3522 Å) | Cite: | 2-Substituted-2-amino-6-boronohexanoic acids as arginase inhibitors. Bioorg.Med.Chem.Lett., 23, 2013
|
|
4IE2
| Crystal structure of human Arginase-2 complexed with inhibitor 1h | Descriptor: | Arginase-2, mitochondrial, BENZAMIDINE, ... | Authors: | Cousido-Siah, A, Mitschler, A, Ruiz, F.X, Beckett, P, Van Zandt, M.C, Ji, M.K, Whitehouse, D, Ryder, T, Jagdmann, E, Andreoli, M, Mazur, A, Padmanilayam, M, Schroeter, H, Golebiowski, A, Podjarny, A. | Deposit date: | 2012-12-13 | Release date: | 2013-03-20 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.2082 Å) | Cite: | 2-Substituted-2-amino-6-boronohexanoic acids as arginase inhibitors. Bioorg.Med.Chem.Lett., 23, 2013
|
|
1MVC
| Crystal structure of the human RXR alpha ligand binding domain bound to the synthetic agonist compound BMS 649 and a coactivator peptide | Descriptor: | 4-[2-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-YL)-[1,3]DIOXOLAN-2-YL]-BENZOIC ACID, Nuclear receptor coactivator 2, RXR retinoid X receptor | Authors: | Egea, P.F, Mitschler, A, Moras, D. | Deposit date: | 2002-09-24 | Release date: | 2002-10-16 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Molecular Recognition of Agonist Ligands by RXRs MOL.ENDOCRINOL., 16, 2002
|
|
1MV9
| Crystal Structure of the human RXR alpha ligand binding domain bound to the eicosanoid DHA (Docosa Hexaenoic Acid) and a coactivator peptide | Descriptor: | DOCOSA-4,7,10,13,16,19-HEXAENOIC ACID, Nuclear receptor coactivator 2, RXR retinoid X receptor | Authors: | Egea, P.F, Mitschler, A, Moras, D. | Deposit date: | 2002-09-24 | Release date: | 2002-10-16 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Molecular Recognition of Agonist Ligands by RXRs MOL.ENDOCRINOL., 16, 2002
|
|
4ISV
| Crystal structure of the Fab FRAGMENT OF 1C2, A MONOCLONAL ANTIBODY SPECIFIC FOR POLY-GLUTAMINE | Descriptor: | 1C2 FAB HEAVY CHAIN, 1C2 FAB LIGHT CHAIN | Authors: | Klein, F.A.C, Zeder-Lutz, G, Cousido-Siah, A, Mitschler, A, Katz, A, Eberling, P, Mandel, J.L, Podjarny, A, Trottier, Y. | Deposit date: | 2013-01-17 | Release date: | 2013-07-03 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (1.497 Å) | Cite: | Linear and extended: a common polyglutamine conformation recognized by the three antibodies MW1, 1C2 and 3B5H10. Hum.Mol.Genet., 22, 2013
|
|
1R20
| Crystal structure of the ligand-binding domains of the heterodimer EcR/USP bound to the synthetic agonist BYI06830 | Descriptor: | ECDYSONE RECEPTOR, L-ALPHA-PHOSPHATIDYL-BETA-OLEOYL-GAMMA-PALMITOYL-PHOSPHATIDYLETHANOLAMINE, N-(TERT-BUTYL)-3,5-DIMETHYL-N'-[(5-METHYL-2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)CARBONYL]BENZOHYDRAZIDE, ... | Authors: | Billas, I.M.L, Iwema, T, Garnier, J.M, Mitschler, A, Rochel, N, Moras, D, Structural Proteomics in Europe (SPINE) | Deposit date: | 2003-09-25 | Release date: | 2003-11-18 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural adaptability in the ligand-binding pocket of the ecdysone hormone receptor. Nature, 426, 2003
|
|
4IXU
| Crystal structure of human Arginase-2 complexed with inhibitor 11d: {(5R)-5-amino-5-carboxy-5-[(3-endo)-8-(3,4-dichlorobenzyl)-8-azabicyclo[3.2.1]oct-3-yl]pentyl}(trihydroxy)borate(1-) | Descriptor: | Arginase-2, mitochondrial, BENZAMIDINE, ... | Authors: | Cousido-Siah, A, Mitschler, A, Ruiz, F.X, Whitehouse, D, Beckett, P, Van Zandt, M.C, Ji, M.K, Ryder, T, Jagdmann, R, Andreoli, M, Olczak, J, Mazur, M, Czestkowski, W, Piotrowska, W, Schroeter, H, Golebiowski, A, Podjarny, A. | Deposit date: | 2013-01-28 | Release date: | 2013-12-11 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Synthesis of quaternary alpha-amino acid-based arginase inhibitors via the Ugi reaction. Bioorg.Med.Chem.Lett., 23, 2013
|
|
4IXV
| Crystal structure of human Arginase-2 complexed with inhibitor 2d: {(5R)-5-amino-5-carboxy-5-[1-(4-chlorobenzyl)piperidin-4-yl]pentyl}(trihydroxy)borate(1-) | Descriptor: | Arginase-2, mitochondrial, BENZAMIDINE, ... | Authors: | Cousido-Siah, A, Mitschler, A, Ruiz, F.X, Whitehouse, D, Beckett, P, Van Zandt, M.C, Ji, M.K, Ryder, T, Jagdmann, R, Andreoli, M, Olczak, J, Mazur, M, Czestkowski, W, Piotrowska, W, Schroeter, H, Golebiowski, A, Podjarny, A. | Deposit date: | 2013-01-28 | Release date: | 2013-12-11 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Synthesis of quaternary alpha-amino acid-based arginase inhibitors via the Ugi reaction. Bioorg.Med.Chem.Lett., 23, 2013
|
|
1R1K
| Crystal structure of the ligand-binding domains of the heterodimer EcR/USP bound to ponasterone A | Descriptor: | 2,3,14,20,22-PENTAHYDROXYCHOLEST-7-EN-6-ONE, Ecdysone receptor, L-ALPHA-PHOSPHATIDYL-BETA-OLEOYL-GAMMA-PALMITOYL-PHOSPHATIDYLETHANOLAMINE, ... | Authors: | Billas, I.M.L, Iwema, T, Garnier, J.-M, Mitschler, A, Rochel, N, Moras, D, Structural Proteomics in Europe (SPINE) | Deposit date: | 2003-09-24 | Release date: | 2003-11-18 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural adaptability in the ligand-binding pocket of the ecdysone hormone receptor. Nature, 426, 2003
|
|
4JJ5
| CRYSTAL STRUCTURE OF THE Fab FRAGMENT OF 1C2, A MONOCLONAL ANTIBODY SPECIFIC for POLY-GLUTAMINE | Descriptor: | 1C2 FAB HEAVY CHAIN, 1C2 FAB LIGHT CHAIN | Authors: | Klein, F.A.C, Zeder-Lutz, G, Cousido-Siah, A, Mitschler, A, Katz, A, Eberling, P, Mandel, J.L, Podjarny, A, Trottier, Y. | Deposit date: | 2013-03-07 | Release date: | 2013-07-03 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.445 Å) | Cite: | Linear and extended: a common polyglutamine conformation recognized by the three antibodies MW1, 1C2 and 3B5H10. Hum.Mol.Genet., 22, 2013
|
|
1H3O
| Crystal Structure of the Human TAF4-TAF12 (TAFII135-TAFII20) Complex | Descriptor: | TRANSCRIPTION INITIATION FACTOR TFIID 135 KDA SUBUNIT, TRANSCRIPTION INITIATION FACTOR TFIID 20/15 KDA SUBUNITS | Authors: | Werten, S, Mitschler, A, Moras, D. | Deposit date: | 2002-09-12 | Release date: | 2002-09-26 | Last modified: | 2019-07-24 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal Structure of a Subcomplex of Human Transcription Factor TFIID Formed by TATA Binding Protein-Associated Factors Htaf4 (Htaf(II)135) and Htaf12 (Htaf(II)20). J.Biol.Chem., 277, 2002
|
|
1IE9
| Crystal Structure Of The Nuclear Receptor For Vitamin D Ligand Binding Domain Bound to MC1288 | Descriptor: | 5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANE-1,3-DIOL, VITAMIN D3 RECEPTOR | Authors: | Tocchini-Valentini, G, Rochel, N, Wurtz, J.M, Mitschler, A, Moras, D. | Deposit date: | 2001-04-09 | Release date: | 2001-05-16 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Crystal structures of the vitamin D receptor complexed to superagonist 20-epi ligands. Proc.Natl.Acad.Sci.USA, 98, 2001
|
|
1IE8
| Crystal Structure Of The Nuclear Receptor For Vitamin D Ligand Binding Domain Bound to KH1060 | Descriptor: | 5-(2-{1-[1-(4-ETHYL-4-HYDROXY-HEXYLOXY)-ETHYL]-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE}-ETHYLIDENE)-4-METHYLENE-CYCLOHEXANE-1,3-DIOL, VITAMIN D3 RECEPTOR | Authors: | Tocchini-Valentini, G, Rochel, N, Wurtz, J.M, Mitschler, A, Moras, D. | Deposit date: | 2001-04-09 | Release date: | 2001-05-16 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Crystal structures of the vitamin D receptor complexed to superagonist 20-epi ligands. Proc.Natl.Acad.Sci.USA, 98, 2001
|
|
4HWW
| Crystal structure of human Arginase-1 complexed with inhibitor 9 | Descriptor: | Arginase-1, MANGANESE (II) ION, [(5R)-5-amino-5-carboxy-7-(piperidin-1-yl)heptyl](trihydroxy)borate(1-) | Authors: | Cousido-Siah, A, Mitschler, A, Ruiz, F.X, Whitehouse, D.L, Golebiowski, A, Ji, M, Zhang, M, Beckett, P, Sheeler, R, Andreoli, M, Conway, B, Mahboubi, K, Schroeter, H, Van Zandt, M.C, Podjarny, A. | Deposit date: | 2012-11-09 | Release date: | 2013-03-20 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.298 Å) | Cite: | Discovery of (R)-2-Amino-6-borono-2-(2-(piperidin-1-yl)ethyl)hexanoic Acid and Congeners As Highly Potent Inhibitors of Human Arginases I and II for Treatment of Myocardial Reperfusion Injury. J.Med.Chem., 56, 2013
|
|
4I06
| Crystal structure of human Arginase-2 complexed with inhibitor 14 | Descriptor: | Arginase-2, mitochondrial, BENZAMIDINE, ... | Authors: | Cousido-Siah, A, Mitschler, A, Ruiz, F.X, Whitehouse, D.L, Golebiowski, A, Ji, M, Zhang, M, Beckett, P, Sheeler, R, Andreoli, M, Conway, B, Mahboubi, K, Schroeter, H, Van Zandt, M.C, Podjarny, A. | Deposit date: | 2012-11-16 | Release date: | 2013-03-20 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery of (R)-2-Amino-6-borono-2-(2-(piperidin-1-yl)ethyl)hexanoic Acid and Congeners As Highly Potent Inhibitors of Human Arginases I and II for Treatment of Myocardial Reperfusion Injury. J.Med.Chem., 56, 2013
|
|