PDB: 20505 resultsInfo pagesStatus searchChemie searchBIRD

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2NPJ	An unusual twin-His arrangement in the pore of ammonia channels is essential for substrate conductance Descriptor: ACETATE ION, Ammonia channel, IMIDAZOLE Authors: Lupo, D, Winkler, F.K. Deposit date: 2006-10-27 Release date: 2006-11-14 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (2 Å) Cite: An unusual twin-his arrangement in the pore of ammonia channels is essential for substrate conductance J.Biol.Chem., 281, 2006
2NPG	An unusual twin-His arrangement in the pore of ammonia channels is essential for substrate conductance Descriptor: ACETATE ION, Ammonia channel, GLYCEROL, ... Authors: Lupo, D, Winkler, F.K. Deposit date: 2006-10-27 Release date: 2006-11-14 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (2 Å) Cite: An unusual twin-his arrangement in the pore of ammonia channels is essential for substrate conductance J.Biol.Chem., 281, 2006
2NOP	An unusual twin-His arrangement in the pore of ammonia channels is essential for substrate conductance Descriptor: ACETATE ION, Ammonia channel, GLYCEROL, ... Authors: Lupo, D, Winkler, F.K. Deposit date: 2006-10-26 Release date: 2006-11-14 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (2 Å) Cite: An unusual twin-his arrangement in the pore of ammonia channels is essential for substrate conductance J.Biol.Chem., 281, 2006
2NPE	An unusual twin-His arrangement in the pore of ammonia channels is essential for substrate conductance Descriptor: ACETATE ION, Ammonia channel, SULFATE ION Authors: Lupo, D, Winkler, F.K. Deposit date: 2006-10-27 Release date: 2006-11-14 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (2.1 Å) Cite: An unusual twin-his arrangement in the pore of ammonia channels is essential for substrate conductance J.Biol.Chem., 281, 2006
2NOW	An unusual twin-His arrangement in the pore of ammonia channels is essential for substrate conductance Descriptor: ACETATE ION, Ammonia channel, GLYCEROL, ... Authors: Lupo, D, Winkler, F.K. Deposit date: 2006-10-26 Release date: 2006-11-14 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (2.2 Å) Cite: An unusual twin-his arrangement in the pore of ammonia channels is essential for substrate conductance J.Biol.Chem., 281, 2006
6BFX	BACE crystal structure with hydroxy pyrrolidine inhibitor Descriptor: Beta-secretase 1, GLYCEROL, N-{(1S,2S)-3-(3,5-difluorophenyl)-1-[(3R,5S,6R)-6-(2,2-dimethylpropoxy)-5-methylmorpholin-3-yl]-1-hydroxypropan-2-yl}acetamide Authors: Timm, D.E. Deposit date: 2017-10-27 Release date: 2017-11-15 Last modified: 2017-12-27 Method: X-RAY DIFFRACTION (1.99 Å) Cite: Optimization of Hydroxyethylamine Transition State Isosteres as Aspartic Protease Inhibitors by Exploiting Conformational Preferences. J. Med. Chem., 60, 2017
6BFE	BACE crystal structure with hydroxy pyrrolidine inhibitor Descriptor: Beta-secretase 1, GLYCEROL, N-[(1R,2S)-1-[(2R,4R)-4-(cyclohexylmethoxy)pyrrolidin-2-yl]-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl]acetamide Authors: Timm, D.E. Deposit date: 2017-10-26 Release date: 2017-11-15 Last modified: 2017-12-27 Method: X-RAY DIFFRACTION (1.51 Å) Cite: Optimization of Hydroxyethylamine Transition State Isosteres as Aspartic Protease Inhibitors by Exploiting Conformational Preferences. J. Med. Chem., 60, 2017
6BFD	BACE crystal structure with hydroxy pyrrolidine inhibitor Descriptor: 2-{[(2S)-butan-2-yl]amino}-N-{(1R,2S)-1-hydroxy-3-phenyl-1-[(2R)-pyrrolidin-2-yl]propan-2-yl}-6-(methylsulfonyl)pyridine-4-carboxamide, Beta-secretase 1, GLYCEROL Authors: Timm, D.E. Deposit date: 2017-10-26 Release date: 2017-11-15 Last modified: 2017-12-27 Method: X-RAY DIFFRACTION (1.62 Å) Cite: Optimization of Hydroxyethylamine Transition State Isosteres as Aspartic Protease Inhibitors by Exploiting Conformational Preferences. J. Med. Chem., 60, 2017
6BFW	BACE crystal structure with hydroxy morpholine inhibitor Descriptor: Beta-secretase 1, GLYCEROL, N-[(1S,2S)-1-[(3R,6R)-6-(cyclohexylmethoxy)morpholin-3-yl]-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl]acetamide Authors: Timm, D.E. Deposit date: 2017-10-27 Release date: 2017-11-15 Last modified: 2017-12-27 Method: X-RAY DIFFRACTION (1.84 Å) Cite: Optimization of Hydroxyethylamine Transition State Isosteres as Aspartic Protease Inhibitors by Exploiting Conformational Preferences. J. Med. Chem., 60, 2017
3LTQ	Structure of Interleukin 1B solved by SAD using an inserted Lanthanide Binding Tag Descriptor: ACETATE ION, Interleukin-1 beta, SULFATE ION, ... Authors: Peisach, E, Allen, K.N. Deposit date: 2010-02-16 Release date: 2011-02-16 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Engineering encodable lanthanide-binding tags into loop regions of proteins. J.Am.Chem.Soc., 133, 2011
4P6L	Crystal Structure of the Computationally Designed Transmembrane Metallotransporter in Octyl Glucoside Descriptor: Computationally Designed Transporter of Zn(II) and proton Authors: Joh, N.H, Acharya, R, DeGrado, W.F. Deposit date: 2014-03-25 Release date: 2014-12-24 Last modified: 2023-12-27 Method: X-RAY DIFFRACTION (2.803 Å) Cite: De novo design of a transmembrane Zn2+-transporting four-helix bundle. Science, 346, 2014
4PCK	Crystal structure of the P22S mutant of N-terminal CS domain of human Shq1 Descriptor: GLYCEROL, Protein SHQ1 homolog Authors: Singh, M, Wang, Z, Cascio, D, Feigon, J. Deposit date: 2014-04-15 Release date: 2015-01-14 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (2.401 Å) Cite: Structure and Interactions of the CS Domain of Human H/ACA RNP Assembly Protein Shq1. J.Mol.Biol., 427, 2015
3LNY	Second PDZ domain from human PTP1E in complex with RA-GEF2 peptide Descriptor: Rap guanine nucleotide exchange factor 6, SULFATE ION, THIOCYANATE ION, ... Authors: Zhang, J, Chang, A, Ke, H, Phillips Jr, G.N, Lee, A.L, Center for Eukaryotic Structural Genomics (CESG) Deposit date: 2010-02-03 Release date: 2010-03-23 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (1.3 Å) Cite: Crystallographic and nuclear magnetic resonance evaluation of the impact of peptide binding to the second PDZ domain of protein tyrosine phosphatase 1E. Biochemistry, 49, 2010
4G6M	Crystal structure of human IL-1beta in complex with therapeutic antibody binding fragment of gevokizumab Descriptor: Interleukin-1 beta, heavy chain of gevokizumab antibody binding fragment, light chain of gevokizumab antibody binding fragment Authors: Blech, M, Hoerer, S. Deposit date: 2012-07-19 Release date: 2012-12-19 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (1.81 Å) Cite: Crystal structure of human IL-1beta in complex with therapeutic antibody binding fragment of gevokizumab J.Mol.Biol., 425, 2013
4G6K	Crystal structure of the therapeutic antibody binding fragment of gevokizumab in its unbound state Descriptor: heavy chain of gevokizumab antibody binding fragment, light chain of gevokizumab antibody binding fragment Authors: Blech, M, Hoerer, S. Deposit date: 2012-07-19 Release date: 2012-12-19 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (1.9 Å) Cite: One target-two different binding modes: Structural insights into gevokizumab and canakinumab interactions to interleukin-1beta J.Mol.Biol., 425, 2013
3VQ5	HIV-1 IN core domain in complex with N-METHYL-1-(4-METHYL-2-PHENYL-1,3-THIAZOL-5-YL)METHANAMINE Descriptor: CADMIUM ION, CHLORIDE ION, N-methyl-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanamine, ... Authors: Wielens, J, Chalmers, D.K, Parker, M.W, Scanlon, M.J. Deposit date: 2012-03-20 Release date: 2013-01-30 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Parallel screening of low molecular weight fragment libraries: do differences in methodology affect hit identification? J Biomol Screen, 18, 2013
3VQ4	Fragments bound to HIV-1 integrase Descriptor: (5-phenyl-1,2-oxazol-3-yl)methanol, CADMIUM ION, POL polyprotein, ... Authors: Wielens, J, Chalmers, D.K, Parker, M.W, Scanlon, M.J. Deposit date: 2012-03-20 Release date: 2013-01-30 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Parallel screening of low molecular weight fragment libraries: do differences in methodology affect hit identification? J Biomol Screen, 18, 2013
3VQ6	HIV-1 IN core domain in complex with (1-methyl-5-phenyl-1H-pyrazol-4-yl)methanol Descriptor: (1-methyl-5-phenyl-1H-pyrazol-4-yl)methanol, CADMIUM ION, POL polyprotein, ... Authors: Wielens, J, Chalmers, D.K, Parker, M.W, Scanlon, M.J. Deposit date: 2012-03-20 Release date: 2013-01-30 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Parallel screening of low molecular weight fragment libraries: do differences in methodology affect hit identification? J Biomol Screen, 18, 2013
3VQC	HIV-1 IN core domain in complex with (5-METHYL-3-PHENYL-1,2-OXAZOL-4-YL)METHANOL Descriptor: (5-methyl-3-phenyl-1,2-oxazol-4-yl)methanol, CADMIUM ION, POL polyprotein, ... Authors: Wielens, J, Chalmers, D.K, Parker, M.W, Scanlon, M.J. Deposit date: 2012-03-21 Release date: 2013-01-30 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Parallel screening of low molecular weight fragment libraries: do differences in methodology affect hit identification? J Biomol Screen, 18, 2013
3VQD	HIV-1 IN core domain in complex with 5-methyl-3-phenyl-1,2-oxazole-4-carboxylic acid Descriptor: 5-methyl-3-phenyl-1,2-oxazole-4-carboxylic acid, CADMIUM ION, POL polyprotein, ... Authors: Wielens, J, Chalmers, D.K, Parker, M.W, Scanlon, M.J. Deposit date: 2012-03-21 Release date: 2013-01-30 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (2 Å) Cite: Parallel screening of low molecular weight fragment libraries: do differences in methodology affect hit identification? J Biomol Screen, 18, 2013
3VQQ	HIV-1 integrase core domain in complex with 2,1,3-benzothiadiazol-4-amine Descriptor: 2,1,3-benzothiadiazol-4-amine, CADMIUM ION, POL polyprotein, ... Authors: Wielens, J, Chalmers, D.K, Parker, M.W, Scanlon, M.J. Deposit date: 2012-03-29 Release date: 2013-01-30 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (2 Å) Cite: Parallel screening of low molecular weight fragment libraries: do differences in methodology affect hit identification? J Biomol Screen, 18, 2013
3VQE	HIV-1 IN core domain in complex with [1-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]methanol Descriptor: CADMIUM ION, CHLORIDE ION, POL polyprotein, ... Authors: Wielens, J, Chalmers, D.K, Parker, M.W, Scanlon, M.J. Deposit date: 2012-03-21 Release date: 2013-01-30 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Parallel screening of low molecular weight fragment libraries: do differences in methodology affect hit identification? J Biomol Screen, 18, 2013
3VQ9	HIV-1 IN core domain in complex with 6-fluoro-1,3-benzothiazol-2-amine Descriptor: 6-fluoro-1,3-benzothiazol-2-amine, POL polyprotein Authors: Wielens, J, Chalmers, D.K, Parker, M.W, Scanlon, M.J. Deposit date: 2012-03-20 Release date: 2013-01-30 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Parallel screening of low molecular weight fragment libraries: do differences in methodology affect hit identification? J Biomol Screen, 18, 2013
3VQP	HIV-1 IN core domain in complex with 2,3-dihydro-1,4-benzodioxin-5-ylmethanol Descriptor: 2,3-dihydro-1,4-benzodioxin-5-ylmethanol, CADMIUM ION, CHLORIDE ION, ... Authors: Wielens, J, Chalmers, D.K, Parker, M.W, Scanlon, M.J. Deposit date: 2012-03-29 Release date: 2013-01-30 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Parallel screening of low molecular weight fragment libraries: do differences in methodology affect hit identification? J Biomol Screen, 18, 2013
5HLK	Crystal structure of the ternary EcoRV-DNA-Lu complex with cleaved DNA substrate. Descriptor: 1,2-ETHANEDIOL, DNA (5'-D(*AP*AP*AP*GP*AP*TP)-3'), DNA (5'-D(*AP*TP*CP*TP*TP*TP)-3'), ... Authors: Sangani, S.S, Kehr, A.D, Sinha, K, Rule, G.S, Jen-Jacobson, L. Deposit date: 2016-01-15 Release date: 2016-11-09 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (2 Å) Cite: Metal Ion Binding at the Catalytic Site Induces Widely Distributed Changes in a Sequence Specific Protein-DNA Complex. Biochemistry, 55, 2016

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