PDB: 95574 resultsInfo pagesStatus searchChemie searchBIRD

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5I4V	Discovery of novel, orally efficacious Liver X Receptor (LXR) beta agonists Descriptor: Oxysterols receptor LXR-beta,Nuclear receptor coactivator 2, Retinoic acid receptor RXR-beta,Nuclear receptor coactivator 2, {2-[(2R)-4-[4-(hydroxymethyl)-3-(methylsulfonyl)phenyl]-2-(propan-2-yl)piperazin-1-yl]-4-(trifluoromethyl)pyrimidin-5-yl}methanol Authors: Chen, G, McKeever, B.M. Deposit date: 2016-02-12 Release date: 2016-06-29 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (2.61 Å) Cite: Discovery of a Novel, Orally Efficacious Liver X Receptor (LXR) beta Agonist. J.Med.Chem., 59, 2016
4G76	Structure of PaeM, a colicin M-like bacteriocin produced by Pseudomonas aeruginosa Descriptor: Phosphodiesterase Authors: Touze, T, Graille, M, Mengin-Lecreulx, D. Deposit date: 2012-07-20 Release date: 2012-09-12 Last modified: 2023-12-06 Method: X-RAY DIFFRACTION (2.385 Å) Cite: Functional and Structural Characterization of PaeM, a Colicin M-like Bacteriocin Produced by Pseudomonas aeruginosa. J.Biol.Chem., 287, 2012
4GGK	Crystal structure of Zucchini from mouse (mZuc / PLD6 / MitoPLD) bound to tungstate Descriptor: Mitochondrial cardiolipin hydrolase, TUNGSTATE(VI)ION, ZINC ION Authors: Ipsaro, J.J, Haase, A.D, Hannon, G.J, Joshua-Tor, L. Deposit date: 2012-08-06 Release date: 2012-10-10 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (2.1 Å) Cite: The structural biochemistry of Zucchini implicates it as a nuclease in piRNA biogenesis. Nature, 491, 2012
1WVJ	Exploring the GluR2 ligand-binding core in complex with the bicyclic AMPA analogue (S)-4-AHCP Descriptor: 3-(3-HYDROXY-7,8-DIHYDRO-6H-CYCLOHEPTA[D]ISOXAZOL-4-YL)-L-ALANINE, GLYCEROL, SULFATE ION, ... Authors: Nielsen, B.B, Pickering, D.S, Greenwood, J.R, Brehm, L, Gajhede, M, Schousboe, A, Kastrup, J.S. Deposit date: 2004-12-15 Release date: 2005-04-26 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (1.75 Å) Cite: Exploring the GluR2 ligand-binding core in complex with the bicyclical AMPA analogue (S)-4-AHCP FEBS J., 272, 2005
3MRV	Glycogen phosphorylase complexed with 3-hydroxybenzaldehyde-4-(beta-D-glucopyranosyl) thiosemicarbazone Descriptor: DIMETHYL SULFOXIDE, Glycogen phosphorylase, muscle form, ... Authors: Alexacou, K.-M. Deposit date: 2010-04-29 Release date: 2011-01-05 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (1.94 Å) Cite: The binding of beta-D-glucopyranosyl-thiosemicarbazone derivatives to glycogen phosphorylase: a new class of inhibitors Bioorg.Med.Chem., 18, 2010
3MT8	Glycogen phosphorylase complexed with 4-chlorobenzaldehyde-4-(beta-D-glucopyranosyl)-thiosemicarbazone Descriptor: Glycogen phosphorylase, muscle form, N-({(2E)-2-[(4-chlorophenyl)methylidene]hydrazino}carbonothioyl)-beta-D-glucopyranosylamine Authors: Alexacou, K.-M. Deposit date: 2010-04-30 Release date: 2011-01-05 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (2 Å) Cite: The binding of beta-D-glucopyranosyl-thiosemicarbazone derivatives to glycogen phosphorylase: a new class of inhibitors Bioorg.Med.Chem., 18, 2010
3MT7	Glycogen phosphorylase complexed with 4-bromobenzaldehyde-4-(beta-D-glucopyranosyl)-thiosemicarbazone Descriptor: Glycogen phosphorylase, muscle form, N-({(2E)-2-[(4-bromophenyl)methylidene]hydrazino}carbonothioyl)-beta-D-glucopyranosylamine Authors: Alexacou, K.-M. Deposit date: 2010-04-30 Release date: 2011-01-05 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (2 Å) Cite: The binding of beta-D-glucopyranosyl-thiosemicarbazone derivatives to glycogen phosphorylase: a new class of inhibitors Bioorg.Med.Chem., 18, 2010
1TVQ	Crystal Structure of Apo Chicken Liver Basic Fatty Acid Binding Protein (or Bile Acid Binding Protein) Descriptor: Fatty acid-binding protein Authors: Nichesola, D, Perduca, M, Capaldi, S, Carrizo, M.E, Righetti, P.G, Monaco, H.L. Deposit date: 2004-06-30 Release date: 2004-11-23 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (2 Å) Cite: Crystal structure of chicken liver basic Fatty Acid-binding protein complexed with cholic acid Biochemistry, 43, 2004
1TW4	Crystal Structure of Chicken Liver Basic Fatty Acid Binding Protein (Bile Acid Binding Protein) Complexed With Cholic Acid Descriptor: CHOLIC ACID, Fatty acid-binding protein Authors: Nichesola, D, Perduca, M, Capaldi, S, Carrizo, M.E, Righetti, P.G, Monaco, H.L. Deposit date: 2004-06-30 Release date: 2004-11-23 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (2 Å) Cite: Crystal structure of chicken liver basic Fatty Acid-binding protein complexed with cholic acid Biochemistry, 43, 2004
8HTG	Crystal structure of Golf in complex with GTP-gamma S and Mg Descriptor: 1,2-ETHANEDIOL, 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, Guanine nucleotide-binding protein G(olf) subunit alpha, ... Authors: Kang, H, Choi, H.-J. Deposit date: 2022-12-21 Release date: 2023-12-20 Method: X-RAY DIFFRACTION (2.91 Å) Cite: Understanding the molecular mechanisms of odorant binding and activation of the human OR52 family. Nat Commun, 14, 2023
3LV2	Crystal structure of Mycobacterium tuberculosis 7,8-diaminopelargonic acid synthase in complex with substrate analog sinefungin Descriptor: Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, PYRIDOXAL-5'-PHOSPHATE, SINEFUNGIN Authors: Dey, S, Sacchettini, J.C. Deposit date: 2010-02-19 Release date: 2010-08-25 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2.18 Å) Cite: Structural characterization of the Mycobacterium tuberculosis biotin biosynthesis enzymes 7,8-diaminopelargonic acid synthase and dethiobiotin synthetase . Biochemistry, 49, 2010
4UYA	Structure of MLK4 kinase domain with ATPgammaS Descriptor: MAGNESIUM ION, MITOGEN-ACTIVATED PROTEIN KINASE KINASE KINASE MLK4, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER Authors: Read, J.A, Brassington, C, Pollard, H.K, Phillips, C, Green, I, Overmann, R, Collier, M. Deposit date: 2014-08-29 Release date: 2015-09-30 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (2.8 Å) Cite: Recurrent Mlk4 Loss-of-Function Mutations Suppress Jnk Signaling to Promote Colon Tumorigenesis. Cancer Res., 76, 2016
3BR1	Crystal Structure of the Complex of Dequalinium Bound to QacR(E90Q), a Mutant of a Multidrug Binding Transcriptional Repressor Descriptor: DEQUALINIUM, HTH-type transcriptional regulator qacR, SULFATE ION Authors: Brooks, B.E. Deposit date: 2007-12-20 Release date: 2008-12-23 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (3.31 Å) Cite: Formal electrostatic interactions do not govern QacR-cation affinity To be Published
2Q9E	Structure of spin-labeled T4 lysozyme mutant S44R1 Descriptor: 2-HYDROXYETHYL DISULFIDE, Lysozyme, S-[(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate Authors: Guo, Z, Cascio, D, Hideg, K, Hubbell, W.L. Deposit date: 2007-06-12 Release date: 2007-06-26 Last modified: 2023-08-30 Method: EPR (2.1 Å), X-RAY DIFFRACTION Cite: Structural determinants of nitroxide motion in spin-labeled proteins: Solvent-exposed sites in helix B of T4 lysozyme. Protein Sci., 17, 2008
3BR2	Crystal Structure of the Complex of Dequalinium Bound to QacR(E120Q), a Mutant of a Multidrug Binding Transcriptional Repressor Descriptor: DEQUALINIUM, HTH-type transcriptional regulator qacR, SULFATE ION Authors: Brooks, B.E. Deposit date: 2007-12-20 Release date: 2008-12-23 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (2.9 Å) Cite: Formal electrostatic interactions do not govern QacR-cation affinity To be Published
3BR3	Crystal Structure of the Complex of Ethidium Bound to QacR(E90Q), a Mutant of a Multidrug Binding Transcriptional Repressor Descriptor: ETHIDIUM, HTH-type transcriptional regulator qacR, SULFATE ION Authors: Brooks, B.E. Deposit date: 2007-12-20 Release date: 2008-12-23 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (2.8 Å) Cite: Formal electrostatic interactions do not govern QacR-cation affinity To be Published
3BR0	Crystal Structure of the Complex of Malachite Green Bound to QacR(E120Q), a Mutant of a Multidrug Binding Transcriptional Repressor Descriptor: HTH-type transcriptional regulator qacR, IMIDAZOLE, MALACHITE GREEN, ... Authors: Brooks, B.E. Deposit date: 2007-12-20 Release date: 2008-12-23 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (2.42 Å) Cite: Formal electrostatic interactions do not govern QacR-cation affinity To be Published
3BQZ	Crystal Structure of the Complex of Malachite Green Bound to QacR(E90Q), a Mutant of a Multidrug Binding Transcriptional Repressor Descriptor: HTH-type transcriptional regulator qacR, IMIDAZOLE, MALACHITE GREEN, ... Authors: Brooks, B.E. Deposit date: 2007-12-20 Release date: 2008-12-23 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (2.17 Å) Cite: Formal electrostatic interactions do not govern QacR-cation affinity To be Published
3BR6	Crystal Structure of the Complex of Rhodamine 6G Bound to QacR(E120Q), a Mutant of a Multidrug Binding Transcriptional Repressor Descriptor: HTH-type transcriptional regulator qacR, RHODAMINE 6G, SULFATE ION Authors: Brooks, B.E. Deposit date: 2007-12-20 Release date: 2008-12-23 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (3.2 Å) Cite: Formal electrostatic interactions do not govern QacR-cation affinity To be Published
3BR5	Crystal Structure of the Complex of Rhodamine 6G Bound to QacR(E90Q), a Mutant of a Multidrug Binding Transcriptional Repressor Descriptor: HTH-type transcriptional regulator qacR, RHODAMINE 6G, SULFATE ION Authors: Brooks, B.E. Deposit date: 2007-12-20 Release date: 2008-12-23 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (2.9 Å) Cite: Formal electrostatic interactions do not govern QacR-cation affinity To be Published
2Q9D	Structure of spin-labeled T4 lysozyme mutant A41R1 Descriptor: BETA-MERCAPTOETHANOL, Lysozyme, S-[(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate Authors: Guo, Z, Cascio, D, Hideg, K, Hubbell, W.L. Deposit date: 2007-06-12 Release date: 2007-06-26 Last modified: 2023-08-30 Method: EPR (1.4 Å), X-RAY DIFFRACTION Cite: Structural determinants of nitroxide motion in spin-labeled proteins: Solvent-exposed sites in helix B of T4 lysozyme. Protein Sci., 17, 2008
3D1M	Crystal Structure of Sonic Hedgehog Bound to the third FNIII domain of CDO Descriptor: CALCIUM ION, Cell adhesion molecule, Sonic hedgehog protein, ... Authors: McLellan, J.S, Leahy, D.J. Deposit date: 2008-05-06 Release date: 2008-09-23 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (1.7 Å) Cite: The mode of Hedgehog binding to Ihog homologues is not conserved across different phyla. Nature, 455, 2008
1SVJ	The solution structure of the nucleotide binding domain of KdpB Descriptor: Potassium-transporting ATPase B chain Authors: Haupt, M, Bramkamp, M, Coles, M, Altendorf, K, Kessler, H. Deposit date: 2004-03-29 Release date: 2004-09-21 Last modified: 2024-05-22 Method: SOLUTION NMR Cite: Inter-domain motions of the N-domain of the KdpFABC complex, a P-type ATPase, are not driven by ATP-induced conformational changes. J.Mol.Biol., 342, 2004
4W1W	Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis, complexed with 7-(diethylamino)-3-(thiophene-2-carbonyl)-2H-chromen-2-one Descriptor: 1,2-ETHANEDIOL, 7-(diethylamino)-3-(thiophen-2-ylcarbonyl)-2H-chromen-2-one, Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, ... Authors: Finzel, B.C, Ran, D. Deposit date: 2014-08-13 Release date: 2015-02-04 Last modified: 2023-12-27 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Target-Based Identification of Whole-Cell Active Inhibitors of Biotin Biosynthesis in Mycobacterium tuberculosis. Chem.Biol., 22, 2015
1U7Q	THE SOLUTION STRUCTURE OF THE NUCLEOTIDE BINDING DOMAIN OF KDPB Descriptor: Potassium-transporting ATPase B chain Authors: Haupt, M, Bramkamp, M, Coles, M, Altendorf, K, Kessler, H. Deposit date: 2004-08-04 Release date: 2004-09-21 Last modified: 2024-05-22 Method: SOLUTION NMR Cite: Inter-domain motions of the N-domain of the KdpFABC complex, a P-type ATPase, are not driven by ATP-induced conformational changes. J.Mol.Biol., 342, 2004

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