4NEN
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![BU of 4nen by Molmil](/molmil-images/mine/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
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6K0T
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![BU of 6k0t by Molmil](/molmil-images/mine/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
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1HG4
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![BU of 1hg4 by Molmil](/molmil-images/mine/1hg4) | |
4A7T
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![BU of 4a7t by Molmil](/molmil-images/mine/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
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6TYW
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![BU of 6tyw by Molmil](/molmil-images/mine/6tyw) | |
6TYZ
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![BU of 6tyz by Molmil](/molmil-images/mine/6tyz) | |
7B2K
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![BU of 7b2k by Molmil](/molmil-images/mine/7b2k) | |
2WRZ
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![BU of 2wrz by Molmil](/molmil-images/mine/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
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4A7S
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![BU of 4a7s by Molmil](/molmil-images/mine/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
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4A7V
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![BU of 4a7v by Molmil](/molmil-images/mine/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
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1G2N
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![BU of 1g2n by Molmil](/molmil-images/mine/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
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3BFM
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![BU of 3bfm by Molmil](/molmil-images/mine/3bfm) | |
6TYV
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6TYX
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8J1A
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![BU of 8j1a by Molmil](/molmil-images/mine/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
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8J0A
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![BU of 8j0a by Molmil](/molmil-images/mine/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
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3ELC
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![BU of 3elc by Molmil](/molmil-images/mine/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
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1NUN
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![BU of 1nun by Molmil](/molmil-images/mine/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
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5JJM
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![BU of 5jjm by Molmil](/molmil-images/mine/5jjm) | |
2HVQ
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![BU of 2hvq by Molmil](/molmil-images/mine/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
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6TYU
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2AKY
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![BU of 2aky by Molmil](/molmil-images/mine/2aky) | |
2PYY
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![BU of 2pyy by Molmil](/molmil-images/mine/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
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3EOR
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![BU of 3eor by Molmil](/molmil-images/mine/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
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1RK3
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![BU of 1rk3 by Molmil](/molmil-images/mine/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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