PDB: 92638 resultsInfo pagesStatus searchChemie searchBIRD

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7K8H	Beta-lactamase mixed with Ceftriaxone, 50ms Descriptor: Beta-lactamase, Ceftriaxone, PHOSPHATE ION Authors: Pandey, S, Schmidt, M. Deposit date: 2020-09-27 Release date: 2021-09-22 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (2.60006261 Å) Cite: Observation of substrate diffusion and ligand binding in enzyme crystals using high-repetition-rate mix-and-inject serial crystallography Iucrj, 8, 2021
7K8K	Beta-lactamase mixed with Sulbactam, 60ms Descriptor: Beta-lactamase, PHOSPHATE ION, SULBACTAM, ... Authors: Pandey, S, Schmidt, M. Deposit date: 2020-09-27 Release date: 2021-09-22 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (2.7 Å) Cite: Observation of substrate diffusion and ligand binding in enzyme crystals using high-repetition-rate mix-and-inject serial crystallography Iucrj, 8, 2021
7K8L	Beta-lactamase, Unmixed Descriptor: Beta-lactamase, PHOSPHATE ION Authors: Pandey, S, Schmidt, M. Deposit date: 2020-09-27 Release date: 2021-09-22 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (2.8000102 Å) Cite: Observation of substrate diffusion and ligand binding in enzyme crystals using high-repetition-rate mix-and-inject serial crystallography Iucrj, 8, 2021
7K8E	Beta-lactamase mixed with Ceftriaxone, 5ms Descriptor: Beta-lactamase, Ceftriaxone, PHOSPHATE ION Authors: Pandey, S, Schmidt, M. Deposit date: 2020-09-26 Release date: 2021-09-22 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (2.40005636 Å) Cite: Observation of substrate diffusion and ligand binding in enzyme crystals using high-repetition-rate mix-and-inject serial crystallography Iucrj, 8, 2021
2QXS	Crystal Structure of Antagonizing Mutant 536S of the Estrogen Receptor Alpha Ligand Binding Domain Complexed to Raloxifene Descriptor: Estrogen receptor, RALOXIFENE Authors: Bruning, J.B, Gil, G, Nowak, J, Katzenellenbogen, J, Nettles, K.W. Deposit date: 2007-08-12 Release date: 2008-09-02 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Coupling of receptor conformation and ligand orientation determine graded activity. Nat.Chem.Biol., 6, 2010
1VWF	STREPTAVIDIN COMPLEXED WITH CYCLO-AC-[CHPQGPPC]-NH2 MONOMER, PH 3.67 Descriptor: PEPTIDE LIGAND CONTAINING HPQ, STREPTAVIDIN Authors: Katz, B.A, Cass, R.T. Deposit date: 1997-03-03 Release date: 1998-03-18 Last modified: 2024-06-05 Method: X-RAY DIFFRACTION (1.92 Å) Cite: In crystals of complexes of streptavidin with peptide ligands containing the HPQ sequence the pKa of the peptide histidine is less than 3.0. J.Biol.Chem., 272, 1997
2A25	Crystal structure of Siah1 SBD bound to the peptide EKPAAVVAPITTG from SIP Descriptor: Calcyclin-binding protein peptide, Ubiquitin ligase SIAH1, ZINC ION Authors: Santelli, E, Leone, M, Li, C, Fukushima, T, Preece, N.E, Olson, A.J, Ely, K.R, Reed, J.C, Pellecchia, M, Liddington, R.C, Matsuzawa, S. Deposit date: 2005-06-21 Release date: 2005-08-09 Last modified: 2023-08-23 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Structural Analysis of Siah1-Siah-interacting Protein Interactions and Insights into the Assembly of an E3 Ligase Multiprotein Complex J.Biol.Chem., 280, 2005
3OPH	ESBL R164S mutant of SHV-1 beta-lactamase Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-lactamase SHV-1, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE Authors: Sampson, J.M, van den Akker, F. Deposit date: 2010-09-01 Release date: 2011-07-13 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.34 Å) Cite: Ligand-dependent disorder of the Omega loop observed in extended-spectrum SHV-type beta-lactamase. Antimicrob.Agents Chemother., 55, 2011
3CAP	Crystal Structure of Native Opsin: the G Protein-Coupled Receptor Rhodopsin in its Ligand-free State Descriptor: 2-O-octyl-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, PALMITIC ACID, ... Authors: Park, J.H, Scheerer, P, Hofmann, K.P, Choe, H.-W, Ernst, O.P. Deposit date: 2008-02-20 Release date: 2008-06-24 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (2.9 Å) Cite: Crystal structure of the ligand-free G-protein-coupled receptor opsin Nature, 454, 2008
3OPP	ESBL R164S mutant of SHV-1 beta-lactamase complexed with SA2-13 Descriptor: (3R)-4-[(4-CARBOXYBUTANOYL)OXY]-N-[(1E)-3-OXOPROP-1-EN-1-YL]-3-SULFINO-D-VALINE, Beta-lactamase SHV-1, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE Authors: Sampson, J.M, van den Akker, F. Deposit date: 2010-09-01 Release date: 2011-07-13 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Ligand-dependent disorder of the Omega loop observed in extended-spectrum SHV-type beta-lactamase. Antimicrob.Agents Chemother., 55, 2011
3OPL	ESBL R164H mutant SHV-1 beta-lactamase Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-lactamase SHV-1, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE Authors: Sampson, J.M, van den Akker, F. Deposit date: 2010-09-01 Release date: 2011-07-13 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Ligand-dependent disorder of the Omega loop observed in extended-spectrum SHV-type beta-lactamase. Antimicrob.Agents Chemother., 55, 2011
3OPR	ESBL R164H mutant of SHV-1 beta-lactamase complexed to SA2-13 Descriptor: (3R)-4-[(4-CARBOXYBUTANOYL)OXY]-N-[(1E)-3-OXOPROP-1-EN-1-YL]-3-SULFINO-D-VALINE, Beta-lactamase SHV-1, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE Authors: Sampson, J.M, van den Akker, F. Deposit date: 2010-09-01 Release date: 2011-07-13 Last modified: 2017-11-22 Method: X-RAY DIFFRACTION (1.65 Å) Cite: Ligand-dependent disorder of the Omega loop observed in extended-spectrum SHV-type beta-lactamase. Antimicrob.Agents Chemother., 55, 2011
5UOV	HIV-1 wild Type protease with GRL-1118A , an isophthalamide-derived P2-P3 ligand with the sulfonamide isostere as the P2' group Descriptor: ACETATE ION, CHLORIDE ION, GLYCEROL, ... Authors: Wang, Y.-F, Agniswamy, J, Weber, I.T. Deposit date: 2017-02-01 Release date: 2017-05-10 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (1.33 Å) Cite: Design of novel HIV-1 protease inhibitors incorporating isophthalamide-derived P2-P3 ligands: Synthesis, biological evaluation and X-ray structural studies of inhibitor-HIV-1 protease complex. Bioorg. Med. Chem., 25, 2017
2QZO	Crystal Structure of the Estrogen Receptor Alpha Ligand Binding Domain Complexed with WAY-169916 Descriptor: 4-[1-allyl-7-(trifluoromethyl)-1H-indazol-3-yl]benzene-1,3-diol, Estrogen receptor, Nuclear receptor coactivator 2 Authors: Bruning, J.B, Gil, G, Nowak, J, Katzenellenbogen, J, Nettles, K.W. Deposit date: 2007-08-16 Release date: 2008-08-26 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (1.72 Å) Cite: Coupling of receptor conformation and ligand orientation determine graded activity. Nat.Chem.Biol., 6, 2010
3LOA	Crystal Structure Analysis of the RNA construct with two adjacent ligand binding sites of helix h44 in 16S ribosomal RNA Descriptor: 5'-R(*CP*CP*GP*CP*GP*CP*CP*CP*GP*(5BU)P*CP*AP*CP*AP*CP*CP*AP*CP*CP*CP*G)-3', 5'-R(*GP*GP*GP*(5BU)P*GP*GP*UP*GP*AP*AP*GP*UP*CP*GP*UP*AP*AP*CP*GP*CP*GP*GP*C)-3', MAGNESIUM ION, ... Authors: Dibrov, S. Deposit date: 2010-02-03 Release date: 2010-08-04 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (2.299 Å) Cite: A model for the study of ligand binding to the ribosomal RNA helix h44. Nucleic Acids Res., 38, 2010
2M3V	Solution structure of tyrosine phosphatase related to biofilm formation A (TpbA) from Pseudomonas aeruginosa Descriptor: Putative uncharacterized protein Authors: Koveal, D, Peti, W, Page, R. Deposit date: 2013-01-26 Release date: 2013-04-03 Last modified: 2024-05-15 Method: SOLUTION NMR Cite: Ligand Binding Reduces Conformational Flexibility in the Active Site of Tyrosine Phosphatase Related to Biofilm Formation A (TpbA) from Pseudomonasaeruginosa. J.Mol.Biol., 425, 2013
1RE6	Localisation of Dynein Light Chains 1 and 2 and their Pro-apoptotic Ligands Descriptor: dynein light chain 2 Authors: Day, C.L, Puthalakath, H, Skea, G, Strasser, A, Barsukov, I, Lian, L.Y, Huang, D.C, Hinds, M.G. Deposit date: 2003-11-06 Release date: 2004-03-23 Last modified: 2024-05-22 Method: SOLUTION NMR Cite: Localization of dynein light chains 1 and 2 and their pro-apoptotic ligands. Biochem.J., 377, 2004
3LPQ	Human MitoNEET with 2Fe-2S Coordinating Ligand His 87 Replaced With Cys Descriptor: CDGSH iron sulfur domain-containing protein 1, FE2/S2 (INORGANIC) CLUSTER Authors: Conlan, A.R, Homer, C, Axelrod, H.L, Cohen, A.E, Abresch, E.C, Zuris, J, Nechushtai, R, Paddock, M.L, Jennings, P.A. Deposit date: 2010-02-05 Release date: 2011-06-01 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Mutation of the His ligand in mitoNEET stabilizes the 2Fe-2S cluster despite conformational heterogeneity in the ligand environment. Acta Crystallogr.,Sect.D, 67, 2011
1LDJ	Structure of the Cul1-Rbx1-Skp1-F boxSkp2 SCF Ubiquitin Ligase Complex Descriptor: Cullin homolog 1, ZINC ION, ring-box protein 1 Authors: Zheng, N, Schulman, B.A, Song, L, Miller, J.J, Jeffrey, P.D, Wang, P, Chu, C, Koepp, D.M, Elledge, S.J, Pagano, M, Conaway, R.C, Conaway, J.W, Harper, J.W, Pavletich, N.P. Deposit date: 2002-04-08 Release date: 2002-05-08 Last modified: 2011-07-13 Method: X-RAY DIFFRACTION (3 Å) Cite: Structure of the Cul1-Rbx1-Skp1-F boxSkp2 SCF ubiquitin ligase complex. Nature, 416, 2002
7TP6	The crystal structure of T252E CYP199A4 bound to 4-methylthiobenzoic acid Descriptor: 4-methylsulfanylbenzoic acid, ACETATE ION, CHLORIDE ION, ... Authors: Podgorski, M, Bell, S.G. Deposit date: 2022-01-25 Release date: 2023-01-04 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (1.655 Å) Cite: Investigating the Active Oxidants Involved in Cytochrome P450 Catalyzed Sulfoxidation Reactions. Chemistry, 28, 2022
7TP5	The crystal structure of T252E CYP199A4 bound to 4-ethylthiobenzoic acid Descriptor: 4-(ethylsulfanyl)benzoic acid, ACETATE ION, CHLORIDE ION, ... Authors: Podgorski, M, Bell, S.G. Deposit date: 2022-01-25 Release date: 2023-01-04 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (1.655 Å) Cite: Investigating the Active Oxidants Involved in Cytochrome P450 Catalyzed Sulfoxidation Reactions. Chemistry, 28, 2022
7TQM	The crystal structure of D251N CYP199A4 bound to 4-methylthiobenzoic acid Descriptor: 4-methylsulfanylbenzoic acid, CHLORIDE ION, Cytochrome P450, ... Authors: Podgorski, M, Bell, S.G. Deposit date: 2022-01-26 Release date: 2023-01-04 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (1.438 Å) Cite: Investigating the Active Oxidants Involved in Cytochrome P450 Catalyzed Sulfoxidation Reactions. Chemistry, 28, 2022
1M2Z	Crystal structure of a dimer complex of the human glucocorticoid receptor ligand-binding domain bound to dexamethasone and a TIF2 coactivator motif Descriptor: DEXAMETHASONE, glucocorticoid receptor, nuclear receptor coactivator 2, ... Authors: Bledsoe, R.B, Montana, V.G, Stanley, T.B, Delves, C.J, Apolito, C.J, Mckee, D.D, Consler, T.G, Parks, D.J, Stewart, E.L, Willson, T.M, Lambert, M.H, Moore, J.T, Pearce, K.H, Xu, H.E. Deposit date: 2002-06-26 Release date: 2003-07-15 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (2.5 Å) Cite: Crystal Structure of the Glucocorticoid Receptor Ligand Binding Domain Reveals a Novel Mode of Receptor Dimerization and Coactivator Recognition Cell(Cambridge,Mass.), 110, 2002
2FY8	Crystal structure of MthK rck domain in its ligand-free gating-ring form Descriptor: Calcium-gated potassium channel mthK Authors: Ye, S, Jiang, Y. Deposit date: 2006-02-07 Release date: 2006-09-05 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (2.79 Å) Cite: Crystal Structures of a Ligand-free MthK Gating Ring: Insights into the Ligand Gating Mechanism of K(+) Channels. Cell(Cambridge,Mass.), 126, 2006
5UPZ	HIV-1 wild Type protease with GRL-0518A , an isophthalamide-derived P2-P3 ligand with the para-hydoxymethyl sulfonamide isostere as the P2' group Descriptor: CHLORIDE ION, GLYCEROL, N~3~-{(2S,3R)-3-hydroxy-4-[{[4-(hydroxymethyl)phenyl]sulfonyl}(2-methylpropyl)amino]-1-phenylbutan-2-yl}-N~1~-methyl-N~1~-[(4-methyl-1,3-oxazol-2-yl)methyl]benzene-1,3-dicarboxamide, ... Authors: Wang, Y.-F, Agniswamy, J, Weber, I.T. Deposit date: 2017-02-05 Release date: 2017-05-10 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (1.27 Å) Cite: Design of novel HIV-1 protease inhibitors incorporating isophthalamide-derived P2-P3 ligands: Synthesis, biological evaluation and X-ray structural studies of inhibitor-HIV-1 protease complex. Bioorg. Med. Chem., 25, 2017

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