PDB: 92638 resultsInfo pagesStatus searchChemie searchBIRD

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4NEN	An internal ligand-bound, metastable state of a leukocyte integrin, aXb2 Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CHLORIDE ION, ... Authors: Sen, M, Yuki, K, Springer, T.A. Deposit date: 2013-10-29 Release date: 2014-01-15 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (2.9012 Å) Cite: An internal ligand-bound, metastable state of a leukocyte integrin, alpha X beta 2. J.Cell Biol., 203, 2013
6K0T	Crystal Structure of PPARgamma Ligand Binding Domain in complex with dibenzooxepine derivative compound-17 Descriptor: 3-[(1~{E})-1-[8-[(8-chloranyl-2-cyclopropyl-imidazo[1,2-a]pyridin-3-yl)methyl]-3-fluoranyl-6~{H}-benzo[c][1]benzoxepin-11-ylidene]ethyl]-4~{H}-1,2,4-oxadiazol-5-one, Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor gamma coactivator 1-alpha Authors: Suzuki, M, Yamamoto, K, Takahashi, Y, Saito, J. Deposit date: 2019-05-07 Release date: 2019-10-30 Last modified: 2019-11-06 Method: X-RAY DIFFRACTION (1.84 Å) Cite: Development of a novel class of peroxisome proliferator-activated receptor (PPAR) gamma ligands as an anticancer agent with a unique binding mode based on a non-thiazolidinedione scaffold. Bioorg.Med.Chem., 27, 2019
1HG4	Ultraspiracle ligand binding domain from Drosophila melanogaster Descriptor: 2-(HEXADECANOYLOXY)-1-[(PHOSPHONOOXY)METHYL]ETHYL HEXADECANOATE, ULTRASPIRACLE Authors: Schwabe, J.W.R, Clayton, G.M. Deposit date: 2000-12-12 Release date: 2001-02-23 Last modified: 2023-12-13 Method: X-RAY DIFFRACTION (2.4 Å) Cite: The Structure of the Ultraspiracle Ligand-Binding Domain Reveals a Nuclear Receptor Locked in an Inactive Conformation Proc.Natl.Acad.Sci.USA, 98, 2001
4A7T	Structure of human I113T SOD1 mutant complexed with isoproteranol in the p21 space group Descriptor: ACETATE ION, COPPER (II) ION, ISOPRENALINE, ... Authors: Wright, G.S.A, Kershaw, N.M, Antonyuk, S.V, Strange, R.W, ONeil, P.M, Hasnain, S.S. Deposit date: 2011-11-14 Release date: 2012-11-28 Last modified: 2013-05-08 Method: X-RAY DIFFRACTION (1.45 Å) Cite: Ligand Binding and Aggregation of Pathogenic Sod1. Nat.Commun., 4, 2013
6TYW	Structure of Ku80 von Willebrand domain S229A mutant complexed with APLF Ku Binding Motif Descriptor: 1,2-ETHANEDIOL, GLU-ARG-LYS-ARG-ILE-LEU-PRO-THR-TRP-MET-LEU-ALA-GLU, X-ray repair cross-complementing protein 5 Authors: Min, J, Pedersen, L.C. Deposit date: 2019-08-09 Release date: 2019-11-27 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.69965541 Å) Cite: Ligand binding characteristics of the Ku80 von Willebrand domain. DNA Repair (Amst.), 85, 2019
6TYZ	Structure of Ku80 von Willebrand domain complexed with APLF Ku Binding Motif Descriptor: 1,2-ETHANEDIOL, GLU-ARG-LYS-ARG-ILE-LEU-PRO-THR-TRP-MET-LEU-ALA, X-ray repair cross-complementing protein 5 Authors: Min, J, Pedersen, L.C. Deposit date: 2019-08-09 Release date: 2019-11-27 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.51076627 Å) Cite: Ligand binding characteristics of the Ku80 von Willebrand domain. DNA Repair (Amst.), 85, 2019
7B2K	Structure of the M298F mutant of the Streptomyces coelicolor small laccase T1 copper axial ligand. Descriptor: COPPER (II) ION, Putative copper oxidase Authors: Zovo, K, Majumdar, S, Lukk, T. Deposit date: 2020-11-27 Release date: 2022-02-09 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Substitution of the Methionine Axial Ligand of the T1 Copper for the Fungal-like Phenylalanine Ligand (M298F) Causes Local Structural Perturbations that Lead to Thermal Instability and Reduced Catalytic Efficiency of the Small Laccase from Streptomyces coelicolor A3(2). Acs Omega, 7, 2022
2WRZ	Crystal structure of an arabinose binding protein with designed serotonin binding site in open, ligand-free state Descriptor: L-ARABINOSE-BINDING PERIPLASMIC PROTEIN Authors: Schreier, B, Stumpp, C, Wiesner, S, Hocker, B. Deposit date: 2009-09-03 Release date: 2009-10-13 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (2.2 Å) Cite: The Computational Design of Ligand Binding is not a Solved Problem Proc.Natl.Acad.Sci.USA, 106, 2009
4A7S	Structure of human I113T SOD1 mutant complexed with 5-Fluorouridine in the p21 space group Descriptor: 5-FLUOROURIDINE, ACETATE ION, COPPER (II) ION, ... Authors: Wright, G.S.A, Kershaw, N.M, Antonyuk, S.V, Strange, R.W, ONeil, P.M, Hasnain, S.S. Deposit date: 2011-11-14 Release date: 2012-12-05 Last modified: 2013-05-08 Method: X-RAY DIFFRACTION (1.06 Å) Cite: Ligand Binding and Aggregation of Pathogenic Sod1. Nat.Commun., 4, 2013
4A7V	Structure of human I113T SOD1 mutant complexed with dopamine in the p21 space group Descriptor: COPPER (II) ION, L-DOPAMINE, SULFATE ION, ... Authors: Wright, G.S.A, Antonyuk, S.V, Kershaw, N.M, Strange, R.W, Hasnain, S.S. Deposit date: 2011-11-14 Release date: 2012-11-28 Last modified: 2013-05-08 Method: X-RAY DIFFRACTION (1 Å) Cite: Ligand Binding and Aggregation of Pathogenic Sod1. Nat.Commun., 4, 2013
1G2N	CRYSTAL STRUCTURE OF THE LIGAND BINDING DOMAIN OF THE ULTRASPIRACLE PROTEIN USP, THE ORTHOLOG OF RXRS IN INSECTS Descriptor: L-ALPHA-PHOSPHATIDYL-BETA-OLEOYL-GAMMA-PALMITOYL-PHOSPHATIDYLETHANOLAMINE, ULTRASPIRACLE PROTEIN Authors: Billas, I.M.L, Moulinier, L, Rochel, N, Moras, D, Structural Proteomics in Europe (SPINE) Deposit date: 2000-10-20 Release date: 2001-04-21 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (1.65 Å) Cite: Crystal structure of the ligand-binding domain of the ultraspiracle protein USP, the ortholog of retinoid X receptors in insects. J.Biol.Chem., 276, 2001
3BFM	Crystal structure of a biotin protein ligase-like protein of unknown function (tm1040_0394) from silicibacter sp. tm1040 at 1.70 A resolution Descriptor: Biotin protein ligase-like protein of unknown function, CALCIUM ION, NONAETHYLENE GLYCOL Authors: Joint Center for Structural Genomics (JCSG) Deposit date: 2007-11-21 Release date: 2007-12-04 Last modified: 2023-01-25 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Crystal structure of biotin protein ligase-like protein of unknown function (YP_612389.1) from Silicibacter sp. TM1040 at 1.70 A resolution To be published
6TYV	Structure of Ku80 von Willebrand domain complexed with WRN Ku Binding Motif Descriptor: THR-THR-ALA-GLN-GLN-ARG-LYS-CYS-PRO-GLU-TRP-MET-ASN, X-ray repair cross-complementing protein 5 Authors: Min, J, Pedersen, L.C. Deposit date: 2019-08-09 Release date: 2019-11-27 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.926111 Å) Cite: Ligand binding characteristics of the Ku80 von Willebrand domain. DNA Repair (Amst.), 85, 2019
6TYX	Structure of Ku80 von Willebrand domain S229A mutant complexed with XLF Ku Binding Motif Descriptor: LYS-GLY-LEU-PHE-MET, X-ray repair cross-complementing protein 5 Authors: Min, J, Pedersen, L.C. Deposit date: 2019-08-09 Release date: 2019-11-27 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.89944351 Å) Cite: Ligand binding characteristics of the Ku80 von Willebrand domain. DNA Repair (Amst.), 85, 2019
8J1A	Cryo-EM structure of the GPR84 receptor-Gi complex with no ligand modeled Descriptor: Antibody fragment ScFv16, G-protein coupled receptor 84, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... Authors: Liu, H, Yin, W, Xu, H.E. Deposit date: 2023-04-12 Release date: 2023-06-21 Last modified: 2024-05-08 Method: ELECTRON MICROSCOPY (3.24 Å) Cite: Structural insights into ligand recognition and activation of the medium-chain fatty acid-sensing receptor GPR84. Nat Commun, 14, 2023
8J0A	Robust design of effective allosteric activator UbV R4 for Rsp5 E3 ligase using the machine-learning tool ProteinMPNN Descriptor: SULFATE ION, Ubiquitin variant R4 Authors: Lin, Y.-F, Hsieh, Y.-J, Kao, H.-W, Ko, T.-P, Wu, K.-P. Deposit date: 2023-04-10 Release date: 2023-08-09 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (3 Å) Cite: Robust Design of Effective Allosteric Activators for Rsp5 E3 Ligase Using the Machine Learning Tool ProteinMPNN. Acs Synth Biol, 12, 2023
3ELC	Crystal structure of 2C-methyl-D-erythritol 2,4-clycodiphosphate synthase complexed with ligand Descriptor: 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, 4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoro-pyrimidin-2-one, GERANYL DIPHOSPHATE, ... Authors: Hunter, W.N, Ramsden, N.L, Ulaganathan, V. Deposit date: 2008-09-22 Release date: 2009-08-25 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (2.5 Å) Cite: A structure-based approach to ligand discovery for 2C-methyl-D-erythritol-2,4-cyclodiphosphate synthase: a target for antimicrobial therapy J.Med.Chem., 52, 2009
1NUN	Crystal Structure Analysis of the FGF10-FGFR2b Complex Descriptor: Fibroblast growth factor-10, POLYETHYLENE GLYCOL (N=34), SULFATE ION, ... Authors: Yeh, B.K, Igarashi, M, Eliseenkova, A.V, Plotnikov, A.N, Sher, I, Ron, D, Aaronson, S.A, Mohammadi, M. Deposit date: 2003-01-31 Release date: 2003-02-11 Last modified: 2011-07-13 Method: X-RAY DIFFRACTION (2.9 Å) Cite: Structural basis by which alternative splicing confers specificity in fibroblast growth factor receptors. Proc.Natl.Acad.Sci.USA, 100, 2003
5JJM	Crystal Structure of Homodimeric Androgen Receptor Ligand-Binding Domain bound to DHT and LxxLL peptide Descriptor: 1,2-ETHANEDIOL, 5-ALPHA-DIHYDROTESTOSTERONE, ACETATE ION, ... Authors: Estebanez-Perpina, E, Fuentes-Prior, P. Deposit date: 2016-04-24 Release date: 2017-03-15 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (2.15 Å) Cite: Structure of the homodimeric androgen receptor ligand-binding domain. Nat Commun, 8, 2017
2HVQ	Structure of Adenylated full-length T4 RNA Ligase 2 Descriptor: Hypothetical 37.6 kDa protein in Gp24-hoc intergenic region, MAGNESIUM ION Authors: Nandakumar, J, Lima, C.D. Deposit date: 2006-07-30 Release date: 2006-10-17 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (2.4 Å) Cite: RNA Ligase Structures Reveal the Basis for RNA Specificity and Conformational Changes that Drive Ligation Forward. Cell(Cambridge,Mass.), 127, 2006
6TYU	Structure of Ku80 von Willebrand domain complexed with MRI Ku Binding Motif Descriptor: LYS-THR-ARG-VAL-LEU-PRO-SER-TRP-LEU-THR-ALA, X-ray repair cross-complementing protein 5 Authors: Min, J, Pedersen, L.C. Deposit date: 2019-08-09 Release date: 2019-11-27 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.46862721 Å) Cite: Ligand binding characteristics of the Ku80 von Willebrand domain. DNA Repair (Amst.), 85, 2019
2AKY	HIGH-RESOLUTION STRUCTURES OF ADENYLATE KINASE FROM YEAST LIGATED WITH INHIBITOR AP5A, SHOWING THE PATHWAY OF PHOSPHORYL TRANSFER Descriptor: ADENYLATE KINASE, BIS(ADENOSINE)-5'-PENTAPHOSPHATE, MAGNESIUM ION Authors: Abele, U, Schulz, G.E. Deposit date: 1995-07-28 Release date: 1995-11-14 Last modified: 2024-02-14 Method: X-RAY DIFFRACTION (1.96 Å) Cite: High-resolution structures of adenylate kinase from yeast ligated with inhibitor Ap5A, showing the pathway of phosphoryl transfer. Protein Sci., 4, 1995
2PYY	Crystal Structure of the GluR0 ligand-binding core from Nostoc punctiforme in complex with (L)-glutamate Descriptor: GLUTAMIC ACID, Ionotropic glutamate receptor bacterial homologue Authors: Lee, J.H, Kang, G.B, Lim, H.-H, Ree, M, Park, C.-S, Eom, S.H. Deposit date: 2007-05-17 Release date: 2008-01-22 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Crystal structure of the GluR0 ligand-binding core from Nostoc punctiforme in complex with L-glutamate: structural dissection of the ligand interaction and subunit interface. J.Mol.Biol., 376, 2008
3EOR	Crystal structure of 2C-methyl-D-erythritol 2,4-clycodiphosphate synthase complexed with ligand Descriptor: 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, GERANYL DIPHOSPHATE, SODIUM ION, ... Authors: Hunter, W.N, Ramsden, N.L, Dawson, A. Deposit date: 2008-09-29 Release date: 2009-08-25 Last modified: 2024-03-20 Method: X-RAY DIFFRACTION (2.9 Å) Cite: A structure-based approach to ligand discovery for 2C-methyl-D-erythritol-2,4-cyclodiphosphate synthase: a target for antimicrobial therapy J.Med.Chem., 52, 2009
1RK3	crystal structure of the rat vitamin D receptor ligand binding domain complexed with 1,25-dihydroxyvitamin D3 and a synthetic peptide containing the NR2 box of DRIP 205 Descriptor: 5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANE-1,3-DIOL, Peroxisome proliferator-activated receptor binding protein, Vitamin D3 receptor Authors: Vanhooke, J.L, M Benning, M, Bauer, C.B, Pike, J.W, DeLuca, H.F. Deposit date: 2003-11-20 Release date: 2004-04-13 Last modified: 2023-08-23 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Molecular Structure of the Rat Vitamin D Receptor Ligand Binding Domain Complexed with 2-Carbon-Substituted Vitamin D(3) Hormone Analogues and a LXXLL-Containing Coactivator Peptide Biochemistry, 43, 2004

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