PDB: 92137 resultsInfo pagesStatus searchChemie searchBIRD

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1KKQ	Crystal structure of the human PPAR-alpha ligand-binding domain in complex with an antagonist GW6471 and a SMRT corepressor motif Descriptor: N-((2S)-2-({(1Z)-1-METHYL-3-OXO-3-[4-(TRIFLUOROMETHYL) PHENYL]PROP-1-ENYL}AMINO)-3-{4-[2-(5-METHYL-2-PHENYL-1,3-OXAZOL-4-YL)ETHOXY]PHENYL}PROPYL)PROPANAMIDE, NUCLEAR RECEPTOR CO-REPRESSOR 2, PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR Authors: Xu, H.E, Stanley, T.B, Montana, V.G, Lambert, M.H, Shearer, B.G, Cobb, J.E, McKee, D.D, Galardi, C.M, Nolte, R.T, Parks, D.J. Deposit date: 2001-12-10 Release date: 2002-02-20 Last modified: 2023-08-16 Method: X-RAY DIFFRACTION (3 Å) Cite: Structural basis for antagonist-mediated recruitment of nuclear co-repressors by PPARalpha. Nature, 415, 2002
4JFW	Crystal structure of a bacterial fucosidase with iminosugar inhibitor (2S,3S,4R,5S)-2-[N-(propylferrocene)]aminoethyl-5-methylpyrrolidine-3,4-diol Descriptor: (3alpha)-[3-({2-[(2S,3S,4R,5S)-3,4-dihydroxy-5-methylpyrrolidin-2-yl]ethyl}amino)propyl]ferrocene, IMIDAZOLE, SULFATE ION, ... Authors: Wright, D.W, Davies, G.J. Deposit date: 2013-02-28 Release date: 2013-09-18 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (2.1 Å) Cite: alpha-L-fucosidase inhibition by pyrrolidine-ferrocene hybrids: rationalization of ligand-binding properties by structural studies. Chemistry, 19, 2013
5MVN	X-ray structure of the M205W mutant of GLIC in complex with propofol Descriptor: 2,6-BIS(1-METHYLETHYL)PHENOL, ACETATE ION, CHLORIDE ION, ... Authors: Fourati, Z, Delarue, M. Deposit date: 2017-01-16 Release date: 2018-02-14 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (3.49 Å) Cite: Structural Basis for a Bimodal Allosteric Mechanism of General Anesthetic Modulation in Pentameric Ligand-Gated Ion Channels. Cell Rep, 23, 2018
5MUO	X-ray structure of the 2-22' locally-closed mutant of GLIC in complex with propofol Descriptor: 2,6-BIS(1-METHYLETHYL)PHENOL, ACETATE ION, CHLORIDE ION, ... Authors: Fourati, Z, Ruza, R.R, Delarue, M. Deposit date: 2017-01-13 Release date: 2018-02-14 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (3.19 Å) Cite: Structural Basis for a Bimodal Allosteric Mechanism of General Anesthetic Modulation in Pentameric Ligand-Gated Ion Channels. Cell Rep, 23, 2018
5MZQ	X-ray structure of the M205W mutant of GLIC in complex with bromoform Descriptor: (3R)-3-(dodecanoyloxy)tetradecanoic acid, 1,2-DIOCTANOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ACETATE ION, ... Authors: Fourati, Z, Delarue, M. Deposit date: 2017-02-01 Release date: 2018-02-28 Last modified: 2019-10-16 Method: X-RAY DIFFRACTION (2.8 Å) Cite: Structural Basis for a Bimodal Allosteric Mechanism of General Anesthetic Modulation in Pentameric Ligand-Gated Ion Channels. Cell Rep, 23, 2018
2B57	Guanine Riboswitch C74U mutant bound to 2,6-diaminopurine Descriptor: 65-MER, 9H-PURINE-2,6-DIAMINE, ACETATE ION, ... Authors: Gilbert, S.D, Stoddard, C.D, Wise, S.J, Batey, R.T. Deposit date: 2005-09-27 Release date: 2006-05-23 Last modified: 2024-02-14 Method: X-RAY DIFFRACTION (2.15 Å) Cite: Thermodynamic and kinetic characterization of ligand binding to the purine riboswitch aptamer domain. J.Mol.Biol., 359, 2006
4QBY	yCP in complex with BOC-ALA-ALA-ALA-CHO Descriptor: BOC-ALA-ALA-ALA-CHO, MAGNESIUM ION, Probable proteasome subunit alpha type-7, ... Authors: Arciniega, M, Beck, P, Lange, O, Groll, M, Huber, R. Deposit date: 2014-05-09 Release date: 2014-06-18 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (3 Å) Cite: Differential global structural changes in the core particle of yeast and mouse proteasome induced by ligand binding. Proc.Natl.Acad.Sci.USA, 111, 2014
4DLJ	Human p38 MAP kinase in complex with RL163 Descriptor: 2-phenyl-N~4~-(2-phenylethyl)quinazoline-4,7-diamine, Mitogen-activated protein kinase 14 Authors: Gruetter, C, Termathe, M. Deposit date: 2012-02-06 Release date: 2013-01-23 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (2.6 Å) Cite: Fluorophore labeled kinase detects ligands that bind within the MAPK insert of p38alpha kinase. Plos One, 7, 2012
4JFV	Crystal structure of a bacterial fucosidase with iminosugar inhibitor (2S,3S,4R,5S)-2-[N-(methylferrocene)]aminoethyl-5-methylpyrrolidine-3,4-diol Descriptor: (3alpha)-[({2-[(2S,3S,4R,5S)-3,4-dihydroxy-5-methylpyrrolidin-2-yl]ethyl}amino)methyl]ferrocene, IMIDAZOLE, SULFATE ION, ... Authors: Wright, D.W, Davies, G.J. Deposit date: 2013-02-28 Release date: 2013-09-18 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.88 Å) Cite: alpha-L-fucosidase inhibition by pyrrolidine-ferrocene hybrids: rationalization of ligand-binding properties by structural studies. Chemistry, 19, 2013
1YT6	NMR structure of peptide SD Descriptor: peptide SD Authors: Murata, T, Hemmi, H, Nakamura, S, Shimizu, K, Suzuki, Y, Yamaguchi, I. Deposit date: 2005-02-10 Release date: 2005-09-27 Last modified: 2022-03-02 Method: SOLUTION NMR Cite: Structure, epitope mapping, and docking simulation of a gibberellin mimic peptide as a peptidyl mimotope for a hydrophobic ligand. Febs J., 272, 2005
3M1O	Human Transthyretin (TTR) complexed with 2-((3,5-dichloro-4-hydroxyphenyl)amino)benzoic acid Descriptor: 2-[(3,5-dichloro-4-hydroxyphenyl)amino]benzoic acid, Transthyretin Authors: Kolstoe, S.E, Wood, S.P. Deposit date: 2010-03-05 Release date: 2010-11-17 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.2 Å) Cite: Trapping of palindromic ligands within native transthyretin prevents amyloid formation. Proc.Natl.Acad.Sci.USA, 107, 2010
4ORU	Three-dimensional structure of the C65A mutant of Human lipocalin-type Prostaglandin D Synthase holo-form second space group Descriptor: 2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80-HEPTACOSAOXADOOCTACONTAN-82-OL, Prostaglandin-H2 D-isomerase Authors: Perduca, M, Bovi, M, Bertinelli, M, Bertini, E, Destefanis, L, Carrizo, M.E, Capaldi, S, Monaco, H.L. Deposit date: 2014-02-12 Release date: 2014-08-06 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.55 Å) Cite: High-resolution structures of mutants of residues that affect access to the ligand-binding cavity of human lipocalin-type prostaglandin D synthase. Acta Crystallogr.,Sect.D, 70, 2014
4ORR	Threedimensional structure of the C65A mutant of Human lipocalin-type Prostaglandin D Synthase olo-form Descriptor: 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, Prostaglandin-H2 D-isomerase, SULFATE ION Authors: Perduca, M, Bovi, M, Bertinelli, M, Bertini, E, Destefanis, L, Carrizo, M.E, Capaldi, S, Monaco, H.L. Deposit date: 2014-02-12 Release date: 2014-08-06 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.4 Å) Cite: High-resolution structures of mutants of residues that affect access to the ligand-binding cavity of human lipocalin-type prostaglandin D synthase. Acta Crystallogr.,Sect.D, 70, 2014
4OS0	Three-dimensional structure of the C65A-W54F double mutant of Human lipocalin-type Prostaglandin D Synthase apo-form Descriptor: Prostaglandin-H2 D-isomerase Authors: Perduca, M, Bovi, M, Bertinelli, M, Bertini, E, Destefanis, L, Carrizo, M.E, Capaldi, S, Monaco, H.L. Deposit date: 2014-02-12 Release date: 2014-08-06 Last modified: 2014-12-17 Method: X-RAY DIFFRACTION (1.75 Å) Cite: High-resolution structures of mutants of residues that affect access to the ligand-binding cavity of human lipocalin-type prostaglandin D synthase. Acta Crystallogr.,Sect.D, 70, 2014
1SC4	Crystal structure of the human caspase-1 C285A mutant after removal of malonate Descriptor: Interleukin-1 beta convertase Authors: Romanowski, M.J, Scheer, J.M, O'Brien, T, McDowell, R.S. Deposit date: 2004-02-11 Release date: 2004-08-10 Last modified: 2023-08-23 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Crystal structures of a ligand-free and malonate-bound human caspase-1: implications for the mechanism of substrate binding. Structure, 12, 2004
1E5V	OXIDIZED DMSO REDUCTASE EXPOSED TO HEPES BUFFER Descriptor: 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, Dimethyl sulfoxide/trimethylamine N-oxide reductase, MOLYBDENUM (IV)OXIDE, ... Authors: Bailey, S, Bennett, B, Adams, B, Smith, A.T, Bray, R.C. Deposit date: 2000-08-03 Release date: 2000-08-25 Last modified: 2023-12-13 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Reversible Dissociation of Thiolate Ligands from Molybdenum in an Enzyme of the Dimethyl Sulfoxide Reductase Family Biochemistry, 39, 2000
3OSK	Crystal structure of human CTLA-4 apo homodimer Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Cytotoxic T-lymphocyte protein 4, GLYCEROL Authors: Yu, C, Sonnen, A.F.-P, Ikemizu, S, Stuart, D.I, Gilbert, R.J.C, Davis, S.J. Deposit date: 2010-09-09 Release date: 2010-12-08 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Rigid-body ligand recognition drives cytotoxic T-lymphocyte antigen 4 (CTLA-4) receptor triggering J.Biol.Chem., 286, 2011
3ORV	Crystal Structure of the Y294H-MauG/pre-Methylamine Dehydrogenase Complex Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... Authors: Jensen, L.M.R, Wilmot, C.M. Deposit date: 2010-09-07 Release date: 2010-11-10 Last modified: 2023-12-27 Method: X-RAY DIFFRACTION (1.91 Å) Cite: Functional Importance of Tyrosine 294 and the Catalytic Selectivity for the Bis-Fe(IV) State of MauG Revealed by Replacement of This Axial Heme Ligand with Histidine . Biochemistry, 49, 2010
1XPC	HUMAN ESTROGEN RECEPTOR ALPHA LIGAND-BINDING DOMAIN IN COMPLEX WITH COMPOUND 19 Descriptor: (2S,3R)-3-(4-HYDROXYPHENYL)-2-(4-{[(2R)-2-PYRROLIDIN-1-YLPROPYL]OXY}PHENYL)-2,3-DIHYDRO-1,4-BENZOXATHIIN-6-OL, Estrogen receptor Authors: Fitzgerald, P.M.D, Sharma, N. Deposit date: 2004-10-08 Release date: 2004-12-07 Last modified: 2024-02-14 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Estrogen receptor ligands. Part 9: Dihydrobenzoxathiin SERAMs with alkyl substituted pyrrolidine side chains and linkers. Bioorg.Med.Chem.Lett., 15, 2005
1XP1	HUMAN ESTROGEN RECEPTOR ALPHA LIGAND-BINDING DOMAIN IN COMPLEX WITH COMPOUND 15 Descriptor: (2S,3R)-2-(4-{2-[(3R,4R)-3,4-DIMETHYLPYRROLIDIN-1-YL]ETHOXY}PHENYL)-3-(4-HYDROXYPHENYL)-2,3-DIHYDRO-1,4-BENZOXATHIIN-6- OL, Estrogen receptor Authors: Fitzgerald, P.M.D, Sharma, N. Deposit date: 2004-10-07 Release date: 2004-12-07 Last modified: 2024-02-14 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Estrogen receptor ligands. Part 9: Dihydrobenzoxathiin SERAMs with alkyl substituted pyrrolidine side chains and linkers. Bioorg.Med.Chem.Lett., 15, 2005
1XP9	HUMAN ESTROGEN RECEPTOR ALPHA LIGAND-BINDING DOMAIN IN COMPLEX WITH COMPOUND 18 Descriptor: (2S,3R)-3-(4-HYDROXYPHENYL)-2-(4-{[(2S)-2-PYRROLIDIN-1-YLPROPYL]OXY}PHENYL)-2,3-DIHYDRO-1,4-BENZOXATHIIN-6-OL, Estrogen receptor Authors: Fitzgerald, P.M.D, Sharma, N. Deposit date: 2004-10-08 Release date: 2004-12-07 Last modified: 2024-02-14 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Estrogen receptor ligands. Part 9: Dihydrobenzoxathiin SERAMs with alkyl substituted pyrrolidine side chains and linkers. Bioorg.Med.Chem.Lett., 15, 2005
4OS3	Three-dimensional structure of the C65A-W112F double mutant of Human lipocalin-type Prostaglandin D Synthase apo-form Descriptor: Prostaglandin-H2 D-isomerase Authors: Perduca, M, Bovi, M, Bertinelli, M, Bertini, E, Destefanis, L, Carrizo, M.E, Capaldi, S, Monaco, H.L. Deposit date: 2014-02-12 Release date: 2014-08-06 Last modified: 2014-12-17 Method: X-RAY DIFFRACTION (1.4 Å) Cite: High-resolution structures of mutants of residues that affect access to the ligand-binding cavity of human lipocalin-type prostaglandin D synthase. Acta Crystallogr.,Sect.D, 70, 2014
1E60	OXIDIZED DMSO REDUCTASE EXPOSED TO HEPES - Structure II BUFFER Descriptor: 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, Dimethyl sulfoxide/trimethylamine N-oxide reductase, MOLYBDENUM (IV)OXIDE, ... Authors: Bailey, S, Bennett, B, Adams, B, Smith, A.T, Bray, R.C. Deposit date: 2000-08-06 Release date: 2000-08-25 Last modified: 2024-05-01 Method: X-RAY DIFFRACTION (2 Å) Cite: Reversible Dissociation of Thiolate Ligands from Molybdenum in an Enzyme of the Dimethyl Sulfoxide Reductase Family Biochemistry, 39, 2000
2HLQ	Crystal Structure of the Extracellular Domain of the Type II BMP Receptor Descriptor: Bone morphogenetic protein receptor type-2 Authors: Mace, P.D, Cutfield, J.F, Cutfield, S.M. Deposit date: 2006-07-09 Release date: 2006-11-28 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (1.45 Å) Cite: High resolution structures of the bone morphogenetic protein type II receptor in two crystal forms: Implications for ligand binding Biochem.Biophys.Res.Commun., 351, 2006
1E61	OXIDIZED DMSO REDUCTASE EXPOSED TO HEPES - Structure II BUFFER Descriptor: 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, Dimethyl sulfoxide/trimethylamine N-oxide reductase, MOLYBDENUM (IV)OXIDE, ... Authors: Bailey, S, Bennett, B, Adams, B, Smith, A.T, Bray, R.C. Deposit date: 2000-08-06 Release date: 2000-08-25 Last modified: 2024-05-01 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Reversible Dissociation of Thiolate Ligands from Molybdenum in an Enzyme of the Dimethyl Sulfoxide Reductase Family Biochemistry, 39, 2000

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