1VSF
| ASV INTEGRASE CORE DOMAIN WITH MN(II) COFACTOR AND HEPES LIGAND, HIGH MG CONCENTRATION FORM | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, INTEGRASE, MANGANESE (II) ION | Authors: | Bujacz, G, Jaskolski, M, Alexandratos, J, Wlodawer, A. | Deposit date: | 1995-11-29 | Release date: | 1996-04-03 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | The catalytic domain of avian sarcoma virus integrase: conformation of the active-site residues in the presence of divalent cations. Structure, 4, 1996
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5T4W
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1VNS
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5SZ0
| Carbonic anhydrase II in complex with 4-(phenyl)-benzenesulfonamide | Descriptor: | 4-(phenyl)-benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | Authors: | Bhatt, A, Mahon, B.P, Cornelio, B, McKenna, R. | Deposit date: | 2016-08-12 | Release date: | 2016-12-21 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Structure-Activity Relationships of Benzenesulfonamide-Based Inhibitors towards Carbonic Anhydrase Isoform Specificity. Chembiochem, 18, 2017
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3D57
| TR Variant D355R | Descriptor: | SULFATE ION, Thyroid hormone receptor beta, [4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-DIIODO-PHENYL]-ACETIC ACID | Authors: | Jouravel, N. | Deposit date: | 2008-05-15 | Release date: | 2008-10-14 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Molecular basis for dimer formation of TRbeta variant D355R. Proteins, 75, 2008
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5AJR
| Sterol 14-alpha demethylase (CYP51) from Trypanosoma cruzi in complex with the 1-tetrazole derivative VT-1161 ((R)-2-(2,4-Difluorophenyl)-1, 1-difluoro-3-(1H-tetrazol-1-yl)-1-(5-(4-(2,2,2-trifluoroethoxy)phenyl) pyridin-2-yl)propan-2-ol) | Descriptor: | (R)-2-(2,4-Difluorophenyl)-1,1-difluoro-3-(1H-tetrazol-1-yl)-1-(5-(4-(2,2,2-trifluoroethoxy)phenyl)pyridin-2-yl)propan-2-ol, PROTOPORPHYRIN IX CONTAINING FE, STEROL 14-ALPHA DEMETHYLASE | Authors: | Wawrzak, Z, Hoekstra, W, I Lepesheva, G. | Deposit date: | 2015-02-26 | Release date: | 2015-12-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Clinical Candidate Vt-1161'S Antiparasitic Effect in Vitro, Activity in a Murine Model of Chagas Disease, and Structural Characterization in Complex with the Target Enzyme Cyp51 from Trypanosoma Cruzi. Antimicrob.Agents Chemother., 60, 2015
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1VSD
| ASV INTEGRASE CORE DOMAIN WITH MG(II) COFACTOR AND HEPES LIGAND, HIGH MG CONCENTRATION FORM | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, INTEGRASE, MAGNESIUM ION | Authors: | Bujacz, G, Jaskolski, M, Alexandratos, J, Wlodawer, A. | Deposit date: | 1995-11-29 | Release date: | 1996-04-03 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The catalytic domain of avian sarcoma virus integrase: conformation of the active-site residues in the presence of divalent cations. Structure, 4, 1996
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5SZ5
| Carbonic anhydrase IX-mimic in complex with 4-(2-methylphenyl)-benzenesulfonamide | Descriptor: | 4-(2-methylphenyl)-benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | Authors: | Bhatt, A, Mahon, B.P, Cornelio, B, McKenna, R. | Deposit date: | 2016-08-12 | Release date: | 2016-12-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.274 Å) | Cite: | Structure-Activity Relationships of Benzenesulfonamide-Based Inhibitors towards Carbonic Anhydrase Isoform Specificity. Chembiochem, 18, 2017
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5TKZ
| MEC-8 N-terminal RRM bound to tandem GCAC ligand | Descriptor: | DNA (5'-D(*AP*GP*CP*AP*CP*AP*TP*TP*TP*TP*TP*TP*TP*TP*AP*GP*CP*AP*CP*A)-3'), Mec-8 protein | Authors: | Soufari, H, Mackereth, C.D. | Deposit date: | 2016-10-10 | Release date: | 2017-01-11 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.529 Å) | Cite: | Conserved binding of GCAC motifs by MEC-8, couch potato, and the RBPMS protein family. RNA, 23, 2017
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5ADU
| The Mechanism of Hydrogen Activation by NiFe-hydrogenases | Descriptor: | CARBONMONOXIDE-(DICYANO) IRON, CHLORIDE ION, DODECYL-BETA-D-MALTOSIDE, ... | Authors: | Evans, R, Brooke, E.J, Wehlin, S.A, Nomerotskaia, E, Sargent, F, Carr, S.B, Phillips, S.E.V, Armstrong, F.A. | Deposit date: | 2015-08-24 | Release date: | 2015-11-25 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Mechanism of hydrogen activation by [NiFe] hydrogenases. Nat. Chem. Biol., 12, 2016
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2BS5
| LECTIN FROM RALSTONIA SOLANACEARUM COMPLEXED WITH 2-FUCOSYLLACTOSE | Descriptor: | CHLORIDE ION, FUCOSE-BINDING LECTIN PROTEIN, alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose | Authors: | Mitchell, E.P, Kostlanova, N, Wimmerova, M, Imberty, A. | Deposit date: | 2005-05-18 | Release date: | 2005-05-19 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The Fucose-Binding Lectin from Ralstonia Solanacearum: A New Type of {Beta}-Propeller Architecture Formed by Oligomerization and Interacting with Fucoside, Fucosyllactose, and Plant Xyloglucan. J.Biol.Chem., 280, 2005
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2BXD
| Human serum albumin complexed with warfarin | Descriptor: | R-WARFARIN, SERUM ALBUMIN | Authors: | Ghuman, J, Zunszain, P.A, Petitpas, I, Bhattacharya, A.A, Curry, S. | Deposit date: | 2005-07-26 | Release date: | 2005-09-22 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | Structural Basis of the Drug-Binding Specificity of Human Serum Albumin. J.Mol.Biol., 353, 2005
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3BJH
| Soft-SAD crystal structure of a pheromone binding protein from the honeybee Apis mellifera L. | Descriptor: | GLYCEROL, N-BUTYL-BENZENESULFONAMIDE, Pheromone-binding protein ASP1 | Authors: | Lartigue, A, Gruez, A, Briand, L, Blon, F, Bezirard, V, Walsh, M, Pernollet, J.C, Tegoni, M, Cambillau, C. | Deposit date: | 2007-12-04 | Release date: | 2007-12-18 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Sulfur single-wavelength anomalous diffraction crystal structure of a pheromone-binding protein from the honeybee Apis mellifera L. J.Biol.Chem., 279, 2004
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3H9F
| Crystal Structure of Human Dual Specificity Protein Kinase (TTK) in complex with a pyrimido-diazepin ligand | Descriptor: | 9-cyclopentyl-2-(4-(4-hydroxypiperidin-1-yl)-2-methoxyphenylamino)-5-methyl-8,9-dihydro-5H-pyrimido[4,5-b][1,4]diazepin -6(7H)-one, Dual specificity protein kinase TTK, MAGNESIUM ION | Authors: | Filippakopoulos, P, Soundararajan, M, Keates, T, Elkins, J.M, King, O, Fedorov, O, Picaud, S.S, Pike, A.C.W, Yue, W, Chaikuad, A, von Delft, F, Arrowsmith, C.H, Edwards, A, Weigelt, J, Bountra, C, Kwiatkowski, N, Gray, N.S, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2009-04-30 | Release date: | 2009-05-19 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Small-molecule kinase inhibitors provide insight into Mps1 cell cycle function. Nat.Chem.Biol., 6, 2010
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2A8G
| Structure of Avidin in complex with the ligand deoxyguanosine | Descriptor: | 2'-DEOXY-GUANOSINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, Avidin | Authors: | Conners, R, Hooley, E, Thomas, S, Brady, R.L. | Deposit date: | 2005-07-08 | Release date: | 2006-05-23 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Recognition of oxidatively modified bases within the biotin-binding site of avidin. J.Mol.Biol., 357, 2006
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3I2J
| Cocaine Esterase, wild type, without a ligand | Descriptor: | CHLORIDE ION, Cocaine esterase, GLYCEROL, ... | Authors: | Tesmer, J.J.G, Nance, M.R. | Deposit date: | 2009-06-29 | Release date: | 2010-06-16 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Structural analysis of thermostabilizing mutations of cocaine esterase. Protein Eng.Des.Sel., 23, 2010
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5DBY
| Crystal Structure of Equine Serum Albumin in Complex with Diclofenac and Naproxen Obtained in Displacement Experiment | Descriptor: | (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid, (2S)-2-hydroxybutanedioic acid, 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID, ... | Authors: | Sekula, B, Bujacz, A, Bujacz, G. | Deposit date: | 2015-08-22 | Release date: | 2015-12-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structural Insights into the Competitive Binding of Diclofenac and Naproxen by Equine Serum Albumin. J.Med.Chem., 59, 2016
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5DFD
| Crystal structure of BRD2(BD2) W370F mutant with ligand 28 bound | Descriptor: | Bromodomain-containing protein 2, GLYCEROL, methyl [(4S)-6-(1H-indol-4-yl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]acetate | Authors: | Tallant, C, Baud, M, Lin-Shiao, E, Chirgadze, D.Y, Ciulli, A. | Deposit date: | 2015-08-26 | Release date: | 2015-11-11 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | New Synthetic Routes to Triazolo-benzodiazepine Analogues: Expanding the Scope of the Bump-and-Hole Approach for Selective Bromo and Extra-Terminal (BET) Bromodomain Inhibition. J.Med.Chem., 59, 2016
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1VNF
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2C5D
| Structure of a minimal Gas6-Axl complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, GROWTH-ARREST-SPECIFIC PROTEIN 6 PRECURSOR, ... | Authors: | Sasaki, T, Knyazev, P.G, Clout, N.J, Cheburkin, Y, Goehring, W, Ullrich, A, Timpl, R, Hohenester, E. | Deposit date: | 2005-10-26 | Release date: | 2005-12-19 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Structural Basis for Gas6-Axl Signalling. Embo J., 25, 2006
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5V4H
| Ruthenium(II)(cymene)(chlorido)2-lysozyme adduct formed when ruthenium(II)(cymene)(bromido)2 underwent ligand exchange, resulting in one binding site | Descriptor: | Lysozyme C, PARA-CYMENE RUTHENIUM CHLORIDE, SODIUM ION | Authors: | Sullivan, M.P, Hartinger, C.G, Goldstone, D.C. | Deposit date: | 2017-03-09 | Release date: | 2017-04-05 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.22 Å) | Cite: | The metalation of hen egg white lysozyme impacts protein stability as shown by ion mobility mass spectrometry, differential scanning calorimetry, and X-ray crystallography. Chem. Commun. (Camb.), 53, 2017
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1VNG
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2BJ6
| Crystal Structure of a decameric HNA-RNA hybrid | Descriptor: | 5'-R(*GP*GP*CP*AP*UP*UP*AP*CP*GP*GP)-3', SULFATE ION, SYNTHETIC HNA | Authors: | Maier, T, Przylas, I, Straeter, N, Herdewijn, P, Saenger, W. | Deposit date: | 2005-01-30 | Release date: | 2005-03-09 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Reinforced Hna Backbone Hydration in the Crystal Structure of a Decameric Hna/RNA Hybrid J.Am.Chem.Soc., 127, 2005
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2BPA
| ATOMIC STRUCTURE OF SINGLE-STRANDED DNA BACTERIOPHAGE PHIX174 AND ITS FUNCTIONAL IMPLICATIONS | Descriptor: | DNA (5'-D(*AP*AP*AP*AP*C)-3'), PROTEIN (SUBUNIT OF BACTERIOPHAGE PHIX174) | Authors: | McKenna, R, Xia, D, Willingmann, P, Ilag, L.L, Krishnaswamy, S, Rossmann, M.G, Olson, N.H, Baker, T.S, Incardona, N.L. | Deposit date: | 1991-12-03 | Release date: | 1991-12-03 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Atomic structure of single-stranded DNA bacteriophage phi X174 and its functional implications. Nature, 355, 1992
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1VNH
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