4J3I
 
 | | X-ray crystal structure of bromodomain complex to 1.24 A resolution | | Descriptor: | 1,2-ETHANEDIOL, 2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5,7-dimethoxyquinazolin-4(3H)-one, Bromodomain-containing protein 4, ... | | Authors: | Stein, A.J, White, A, Suto, R.K. | | Deposit date: | 2013-02-05 | | Release date: | 2014-01-15 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.24 Å) | | Cite: | RVX-208, an Inducer of ApoA-I in Humans, Is a BET Bromodomain Antagonist.
Plos One, 8, 2013
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4J1P
 | | X-ray crystal structure of bromodomain 2 of human brd2 in complex with rvx208 to 1.08 A resolution | | Descriptor: | 1,2-ETHANEDIOL, 2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5,7-dimethoxyquinazolin-4(3H)-one, Bromodomain containing 2, ... | | Authors: | Stein, A.J, White, A, Suto, R.K. | | Deposit date: | 2013-02-01 | | Release date: | 2014-01-15 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.08 Å) | | Cite: | RVX-208, an Inducer of ApoA-I in Humans, Is a BET Bromodomain Antagonist.
Plos One, 8, 2013
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3LM9
 | | Crystal structure of fructokinase with ADP and Fructose bound in the active site | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, SULFATE ION, ZINC ION, ... | | Authors: | Nocek, B, Stein, A, Cuff, M, Volkart, L, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2010-01-29 | | Release date: | 2010-03-09 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Structural studies of ROK fructokinase YdhR from Bacillus subtilis: insights into substrate binding and fructose specificity.
J.Mol.Biol., 406, 2011
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8QEX
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3SVI
 | | Structure of the Pto-binding domain of HopPmaL generated by limited thermolysin digestion | | Descriptor: | CHLORIDE ION, SODIUM ION, SULFATE ION, ... | | Authors: | Singer, A.U, Stein, A, Xu, X, Cui, H, Joachimiak, A, Edwards, A.M, Savchenko, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2011-07-12 | | Release date: | 2011-08-10 | | Last modified: | 2017-11-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural Analysis of HopPmaL Reveals the Presence of a Second Adaptor Domain Common to the HopAB Family of Pseudomonas syringae Type III Effectors.
Biochemistry, 51, 2012
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3TJY
 | | Structure of the Pto-binding domain of HopPmaL generated by limited chymotrypsin digestion | | Descriptor: | CHLORIDE ION, Effector protein hopAB3, SULFATE ION | | Authors: | Singer, A.U, Stein, A, Xu, X, Cui, H, Joachimiak, A, Edwards, A.M, Savchenko, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2011-08-25 | | Release date: | 2011-09-14 | | Last modified: | 2013-01-09 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural analysis of HopPmaL reveals the presence of a second adaptor domain common to the HopAB family of Pseudomonas syringae type III effectors.
Biochemistry, 51, 2012
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4HTQ
 | | Mitigation of X-ray damage in macromolecular crystallography by submicrometer line focusing; total dose 6.70 x 10e+11 X-ray photons | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ... | | Authors: | Duke, N.E.C, Finfrock, Y.Z, Stern, E.Z, Alkire, R.W, Lazarski, K, Joachimiak, A. | | Deposit date: | 2012-11-01 | | Release date: | 2013-05-15 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (1.399 Å) | | Cite: | Mitigation of X-ray damage in macromolecular crystallography by submicrometre line focusing.
Acta Crystallogr.,Sect.D, 69, 2013
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4HTN
 | | Mitigation of X-ray damage in macromolecular crystallography by submicrometer line focusing; total dose 1.32 x 10e+12 X-ray photons | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ... | | Authors: | Duke, N.E.C, Finfrock, Y.Z, Stern, E.A, Alkire, R.W, Lazarski, K, Joachimiak, A. | | Deposit date: | 2012-11-01 | | Release date: | 2013-05-15 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Mitigation of X-ray damage in macromolecular crystallography by submicrometre line focusing.
Acta Crystallogr.,Sect.D, 69, 2013
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4HTK
 | | Mitigation of X-ray damage in macromolecular crystallography by submicrometer line focusing; total dose 2.17 x 10e+12 X-ray photons | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ... | | Authors: | Duke, N.E.C, Finfrock, Y.Z, Stern, E.A, Alkire, R.W, Lazarski, K, Joachimiak, A. | | Deposit date: | 2012-11-01 | | Release date: | 2013-05-15 | | Last modified: | 2013-08-28 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Mitigation of X-ray damage in macromolecular crystallography by submicrometre line focusing.
Acta Crystallogr.,Sect.D, 69, 2013
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3QBV
 | | Structure of designed orthogonal interaction between CDC42 and nucleotide exchange domains of intersectin | | Descriptor: | Cell division control protein 42 homolog, GUANOSINE-5'-DIPHOSPHATE, Intersectin-1 | | Authors: | Kapp, G.T, Remenyi, A, Lim, W.A, Kortemme, T. | | Deposit date: | 2011-01-14 | | Release date: | 2012-02-08 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Control of protein signaling using a computationally designed GTPase/GEF orthogonal pair.
Proc.Natl.Acad.Sci.USA, 109, 2012
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4KUN
 | | Crystal structure of Legionella pneumophila Lpp1115 / KaiB | | Descriptor: | Hypothetical protein Lpp1115 | | Authors: | Petit, P, Stogios, P.J, Stein, A, Wawrzak, Z, Skarina, T, Daniels, C, Di Leo, R, Buchrieser, C, Savchenko, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2013-05-22 | | Release date: | 2013-06-05 | | Last modified: | 2014-10-08 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | The Legionella pneumophila kai operon is implicated in stress response and confers fitness in competitive environments.
Environ Microbiol, 16, 2014
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3LL8
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3G73
 | | Structure of the FOXM1 DNA binding | | Descriptor: | DNA (5'-D(P*AP*AP*AP*TP*TP*GP*TP*TP*TP*AP*TP*AP*AP*AP*CP*AP*GP*CP*CP*CP*G)-3'), DNA (5'-D(P*TP*TP*CP*GP*GP*GP*CP*TP*GP*TP*TP*TP*AP*TP*AP*AP*AP*CP*AP*AP*T)-3'), Forkhead box protein M1, ... | | Authors: | Littler, D.R, Perrakis, A, Hibbert, R.G, Medema, R.H. | | Deposit date: | 2009-02-09 | | Release date: | 2009-03-03 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Structure of the FoxM1 DNA-recognition domain bound to a promoter sequence
Nucleic Acids Res., 2010
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2PAN
 | | Crystal structure of E. coli glyoxylate carboligase | | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, FLAVIN-ADENINE DINUCLEOTIDE, Glyoxylate carboligase, ... | | Authors: | Kaplun, A, Chipman, D.M, Barak, Z, Vyazmensky, M, Shaanan, B. | | Deposit date: | 2007-03-27 | | Release date: | 2008-01-01 | | Last modified: | 2021-08-04 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Glyoxylate carboligase lacks the canonical active site glutamate of thiamine-dependent enzymes.
Nat.Chem.Biol., 4, 2008
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2DBL
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1ADQ
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6MVQ
 | | HCV NS5B 1b N316 bound to Compound 31 | | Descriptor: | (4-{1-[5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl]-1H-1,2,4-triazol-5-yl}-2-fluorophenyl)boronic acid, HCV Polymerase | | Authors: | Williams, S.P, Kahler, K, Price, D.J, Peat, A.J. | | Deposit date: | 2018-10-26 | | Release date: | 2019-09-04 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Design of N-Benzoxaborole Benzofuran GSK8175-Optimization of Human Pharmacokinetics Inspired by Metabolites of a Failed Clinical HCV Inhibitor.
J.Med.Chem., 62, 2019
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6HTY
 | | PXR in complex with P2X4 inhibitor compound 25 | | Descriptor: | (2~{R})-~{N}-[4-(3-chloranylphenoxy)-3-sulfamoyl-phenyl]-2-phenyl-propanamide, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Hillig, R.C, Puetter, V, Werner, S, Mesch, S, Laux-Biehlmann, A, Braeuer, N, Dahloef, H, Klint, J, ter Laak, A, Pook, E, Neagoe, I, Nubbemeyer, R, Schulz, S. | | Deposit date: | 2018-10-05 | | Release date: | 2019-12-04 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | Discovery and Characterization of the Potent and Selective P2X4 InhibitorN-[4-(3-Chlorophenoxy)-3-sulfamoylphenyl]-2-phenylacetamide (BAY-1797) and Structure-Guided Amelioration of Its CYP3A4 Induction Profile.
J.Med.Chem., 62, 2019
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7A4J
 | | Aquifex aeolicus lumazine synthase-derived nucleocapsid variant NC-4 | | Descriptor: | Antitermination protein N,6,7-dimethyl-8-ribityllumazine synthase,6,7-dimethyl-8-ribityllumazine synthase | | Authors: | Tetter, S, Hilvert, D. | | Deposit date: | 2020-08-19 | | Release date: | 2021-06-02 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (3.04 Å) | | Cite: | Evolution of a virus-like architecture and packaging mechanism in a repurposed bacterial protein.
Science, 372, 2021
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7A4F
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7A4H
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7A4G
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7A4I
 | | Aquifex aeolicus lumazine synthase-derived nucleocapsid variant NC-3 | | Descriptor: | Antitermination protein N,6,7-dimethyl-8-ribityllumazine synthase,6,7-dimethyl-8-ribityllumazine synthase | | Authors: | Tetter, S, Hilvert, D. | | Deposit date: | 2020-08-19 | | Release date: | 2021-06-02 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (7.04 Å) | | Cite: | Evolution of a virus-like architecture and packaging mechanism in a repurposed bacterial protein.
Science, 372, 2021
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4KHR
 | | HCV NS5B GT1A C316Y with GSK5852 | | Descriptor: | NS5B RNA-dependent RNA polymerase, SULFATE ION, [4-({[5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl](methylsulfonyl)amino}methyl)-2-fluorophenyl]boronic acid | | Authors: | Williams, S.P, Kahler, K.M, Shotwell, J.B. | | Deposit date: | 2013-05-01 | | Release date: | 2013-05-29 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Discovery of a Potent Boronic Acid Derived Inhibitor of the HCV RNA-Dependent RNA Polymerase.
J.Med.Chem., 57, 2014
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4KB7
 | | HCV NS5B GT1B N316Y with CMPD 32 | | Descriptor: | 5-cyclopropyl-2-(4-fluorophenyl)-6-[{2-[(3R)-1-hydroxy-1,3-dihydro-2,1-benzoxaborol-3-yl]ethyl}(methylsulfonyl)amino]-N-methyl-1-benzofuran-3-carboxamide, HCV Polymerase | | Authors: | Williams, S.P, Kahler, K.M, Shotwell, J.B. | | Deposit date: | 2013-04-23 | | Release date: | 2013-05-08 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Discovery of a Potent Boronic Acid Derived Inhibitor of the HCV RNA-Dependent RNA Polymerase.
J.Med.Chem., 57, 2014
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