1YMT
 
 | | Mouse SF-1 LBD | | Descriptor: | 1-CIS-9-OCTADECANOYL-2-CIS-9-HEXADECANOYL PHOSPHATIDYL GLYCEROL, Nuclear receptor 0B2, Steroidogenic factor 1 | | Authors: | Krylova, I.N, Sablin, E.P, Moore, J, Xu, R.X, Waitt, G.M, Juzumiene, D, Bynum, J.M, Fletterick, R.J, Willson, T.M, Ingraham, H.A. | | Deposit date: | 2005-01-21 | | Release date: | 2005-03-15 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Structural analyses reveal phosphatidyl inositols as ligands for the NR5 orphan receptors SF-1 and LRH-1
Cell(Cambridge,Mass.), 120, 2005
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1YS2
 | | Burkholderia cepacia lipase complexed with hexylphosphonic acid (S) 2-methyl-3-phenylpropyl ester | | Descriptor: | CALCIUM ION, HEXYLPHOSPHONIC ACID (S)-2-METHYL-3-PHENYLPROPYL ESTER, Lipase | | Authors: | Mezzetti, A, Schrag, J.D, Cheong, C.S, Kazlauskas, R.J. | | Deposit date: | 2005-02-06 | | Release date: | 2005-05-17 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Mirror-Image Packing in Enantiomer Discrimination Molecular Basis for the Enantioselectivity of B.cepacia Lipase toward 2-Methyl-3-Phenyl-1-Propanol.
Chem.Biol., 12, 2005
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1YP7
 | | Van der Waals Interactions Dominate Hydrophobic Association in a Protein Binding Site Occluded From Solvent Water | | Descriptor: | CADMIUM ION, MAJOR URINARY PROTEIN 1 | | Authors: | Barratt, E, Bingham, R.J, Warner, D.J, Laughton, C.A, Phillips, S.E.V, Homans, S.W. | | Deposit date: | 2005-01-30 | | Release date: | 2005-08-30 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Van der Waals Interactions Dominate Ligand-Protein Association in a Protein Binding Site Occluded from Solvent Water
J.Am.Chem.Soc., 127, 2005
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7LYE
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1YNM
 | | Crystal structure of restriction endonuclease HinP1I | | Descriptor: | R.HinP1I restriction endonuclease | | Authors: | Yang, Z, Horton, J.R, Maunus, R, Wilson, G.G, Roberts, R.J, Cheng, X. | | Deposit date: | 2005-01-24 | | Release date: | 2005-05-03 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Structure of HinP1I endonuclease reveals a striking similarity to the monomeric restriction enzyme MspI
Nucleic Acids Res., 33, 2005
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7T4J
 | | Crystal Structure of EGFR_D770_N771insNPG/V948R in complex with TAK-788 | | Descriptor: | 1,2-ETHANEDIOL, CITRIC ACID, Epidermal growth factor receptor, ... | | Authors: | Skene, R.J, Lane, W, Hu, Y. | | Deposit date: | 2021-12-10 | | Release date: | 2022-12-07 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Discovery of mobocertinib, a potent, oral inhibitor of EGFR exon 20 insertion mutations in non-small cell lung cancer.
Bioorg.Med.Chem.Lett., 80, 2022
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3N0I
 | | Crystal Structure of Ad37 fiber knob in complex with GD1a oligosaccharide | | Descriptor: | Fiber, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose-(1-4)-[N-acetyl-alpha-neuraminic acid-(2-3)]beta-D-galactopyranose-(1-4)-beta-D-glucopyranose, ZINC ION | | Authors: | Nilsson, E.C, Storm, R.J, Bauer, J, Johansson, S.M.C, Lookene, A, Angstroem, J, Hedenstroem, M, Fraengsmyr, L, Rinaldi, S, Willison, H, Domelloef, F.P, Stehle, T, Arnberg, N. | | Deposit date: | 2010-05-14 | | Release date: | 2010-12-29 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | The GD1a glycan is a cellular receptor for adenoviruses causing epidemic keratoconjunctivitis.
NAT.MED. (N.Y.), 17, 2011
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5WCX
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7T91
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5WEY
 | | Joint X-ray/neutron structure of Concanavalin A with alpha1-2 D-mannobiose | | Descriptor: | CALCIUM ION, Concanavalin-A, MANGANESE (II) ION, ... | | Authors: | Kovalevsky, A, Gerlits, O.O, Woods, R.J. | | Deposit date: | 2017-07-11 | | Release date: | 2017-09-13 | | Last modified: | 2023-10-04 | | Method: | NEUTRON DIFFRACTION (1.8 Å), X-RAY DIFFRACTION | | Cite: | Mannobiose Binding Induces Changes in Hydrogen Bonding and Protonation States of Acidic Residues in Concanavalin A As Revealed by Neutron Crystallography.
Biochemistry, 56, 2017
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7T4I
 | | Crystal Structure of wild type EGFR in complex with TAK-788 | | Descriptor: | Epidermal growth factor receptor, propan-2-yl 2-[[4-[2-(dimethylamino)ethyl-methyl-amino]-2-methoxy-5-(propanoylamino)phenyl]amino]-4-(1-methylindol-3-yl)pyrimidine-5-carboxylate | | Authors: | Skene, R.J, Lane, W. | | Deposit date: | 2021-12-10 | | Release date: | 2022-12-07 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.61 Å) | | Cite: | Discovery of mobocertinib, a potent, oral inhibitor of EGFR exon 20 insertion mutations in non-small cell lung cancer.
Bioorg.Med.Chem.Lett., 80, 2022
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1YZW
 | | The 2.1A Crystal Structure of the Far-red Fluorescent Protein HcRed: Inherent Conformational Flexibility of the Chromophore | | Descriptor: | DI(HYDROXYETHYL)ETHER, GFP-like non-fluorescent chromoprotein | | Authors: | Wilmann, P.G, Petersen, J, Pettikiriarachchi, A, Buckle, A.M, Devenish, R.J, Prescott, M, Rossjohn, J. | | Deposit date: | 2005-02-28 | | Release date: | 2005-05-17 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The 2.1A Crystal Structure of the Far-red Fluorescent Protein HcRed: Inherent Conformational Flexibility of the Chromophore
J.Mol.Biol., 349, 2005
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1YY4
 | | Crystal structure of estrogen receptor beta complexed with 1-chloro-6-(4-hydroxy-phenyl)-naphthalen-2-ol | | Descriptor: | 1-CHLORO-6-(4-HYDROXYPHENYL)-2-NAPHTHOL, Estrogen receptor beta, STEROID RECEPTOR COACTIVATOR-1 | | Authors: | Mewshaw, R.E, Edsall Jr, R.J, Yang, C, Manas, E.S, Xu, Z.B, Henderson, R.A, Keith Jr, J.C, Harris, H.A. | | Deposit date: | 2005-02-23 | | Release date: | 2006-02-28 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | ERbeta ligands. 3. Exploiting two binding orientations of the 2-phenylnaphthalene scaffold to achieve ERbeta selectivity
J.Med.Chem., 48, 2005
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3NGS
 | | Structure of Leishmania nucleoside diphosphate kinase b with ordered nucleotide-binding loop | | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Nucleoside diphosphate kinase, PHOSPHATE ION | | Authors: | Trindade, D.M, Sousa, T.A.C.B, Tonoli, C.C.C, Santos, C.R, Arni, R.K, Ward, R.J, Oliveira, A.H.C, Murakami, M.T. | | Deposit date: | 2010-06-13 | | Release date: | 2011-04-27 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Molecular adaptability of nucleoside diphosphate kinase b from trypanosomatid parasites: stability, oligomerization and structural determinants of nucleotide binding.
Mol Biosyst, 7, 2011
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7T9P
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7TAH
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7TAJ
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3NMK
 | | Crystal structure of a zinc mediated dimer for the phenanthroline-modified cytochrome cb562 variant, MBP-Phen2 | | Descriptor: | N-1,10-phenanthrolin-5-ylacetamide, PROTOPORPHYRIN IX CONTAINING FE, Soluble cytochrome b562, ... | | Authors: | Radford, R.J, Tezcan, F.A. | | Deposit date: | 2010-06-22 | | Release date: | 2010-11-24 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Porous protein frameworks with unsaturated metal centers in sterically encumbered coordination sites.
Chem.Commun.(Camb.), 47, 2011
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7TAF
 | | Cryo-EM structure of Human Enterovirus D68 US/MO/14-18947 strain virion in complex with inhibitor 11526092 | | Descriptor: | N,N-dimethyl-5-(3-{2-methyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy}propyl)-1,2-oxazole-3-carboxamide, viral protein 1, viral protein 2, ... | | Authors: | Fu, J, Klose, T, Kuhn, R.J, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2021-12-20 | | Release date: | 2023-01-25 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (2 Å) | | Cite: | Isoxazole-3-Carboxamide Derivatives of Pleconaril Destabilize the Viral Capsid of Enterovirus-D68
To Be Published
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7TAG
 | | Cryo-EM structure of Human Enterovirus D68 US/MO/14-18947 strain virion in complex with pleconaril | | Descriptor: | 3-{3,5-DIMETHYL-4-[3-(3-METHYL-ISOXAZOL-5-YL)-PROPOXY]-PHENYL}-5-TRIFLUOROMETHYL-[1,2,4]OXADIAZOLE, viral protein 1, viral protein 2, ... | | Authors: | Fu, J, Klose, T, Kuhn, R.J, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2021-12-20 | | Release date: | 2023-01-25 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Isoxazole-3-Carboxamide Derivatives of Pleconaril Destabilize the Viral Capsid of Enterovirus-D68
To Be Published
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1ZNH
 | | Strong Solute-Solute Dispersive Interactions in a Protein-Ligand Complex | | Descriptor: | CADMIUM ION, Major Urinary Protein, OCTAN-1-OL | | Authors: | Malham, R, Johnstone, S, Bingham, R.J, Barratt, E, Phillips, S.E, Laughton, C.A, Homans, S.W. | | Deposit date: | 2005-05-11 | | Release date: | 2005-12-20 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Strong Solute-Solute Dispersive Interactions in a Protein-Ligand Complex.
J.Am.Chem.Soc., 127, 2005
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1Z8G
 | | Crystal structure of the extracellular region of the transmembrane serine protease hepsin with covalently bound preferred substrate. | | Descriptor: | ACE-LYS-GLN-LEU-ARG-Chloromethylketone, Serine protease hepsin | | Authors: | Herter, S, Piper, D.E, Aaron, W, Gabriele, T, Cutler, G, Cao, P, Bhatt, A.S, Choe, Y, Craik, C.S, Walker, N, Meininger, D, Hoey, T, Austin, R.J. | | Deposit date: | 2005-03-30 | | Release date: | 2005-05-03 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Hepatocyte growth factor is a preferred in vitro substrate for human hepsin, a membrane-anchored serine protease implicated in prostate and ovarian cancers
Biochem.J., 390, 2005
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1YV0
 | | Crystal structure of skeletal muscle troponin in the Ca2+-free state | | Descriptor: | MAGNESIUM ION, Troponin C, skeletal muscle, ... | | Authors: | Vinogradova, M.V, Stone, D.B, Malanina, G.G, Karatzaferi, C, Cooke, R, Mendelson, R.A, Fletterick, R.J. | | Deposit date: | 2005-02-14 | | Release date: | 2005-04-12 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (7 Å) | | Cite: | Ca2+-regulated structural changes in troponin
Proc.Natl.Acad.Sci.USA, 102, 2005
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1ZND
 | | Strong Solute-Solute Dispersive Interactions in a Protein-Ligand Complex | | Descriptor: | CADMIUM ION, Major Urinary Protein, PENTAN-1-OL | | Authors: | Malham, R, Johnstone, S, Bingham, R.J, Barratt, E, Phillips, S.E, Laughton, C.A, Homans, S.W. | | Deposit date: | 2005-05-11 | | Release date: | 2005-12-20 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Strong Solute-Solute Dispersive Interactions in a Protein-Ligand Complex.
J.Am.Chem.Soc., 127, 2005
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1ZNK
 | | Strong Solute-Solute Dispersive Interactions in a Protein-Ligand Complex | | Descriptor: | CADMIUM ION, Major Urinary Protein, NONAN-1-OL | | Authors: | Malham, R, Johnstone, S, Bingham, R.J, Barratt, E, Phillips, S.E, Laughton, C.A, Homans, S.W. | | Deposit date: | 2005-05-11 | | Release date: | 2005-12-20 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Strong Solute-Solute Dispersive Interactions in a Protein-Ligand Complex.
J.Am.Chem.Soc., 127, 2005
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