5OP8
 
 | | Factor Inhibiting HIF (FIH) in complex with zinc and Molidustat | | Descriptor: | 2-(6-morpholin-4-ylpyrimidin-4-yl)-4-(1,2,3-triazol-1-yl)-1~{H}-pyrazol-3-one, GLYCEROL, Hypoxia-inducible factor 1-alpha inhibitor, ... | | Authors: | Leissing, T.M, Schofield, C.J, Clifton, I.J, Lu, X. | | Deposit date: | 2017-08-09 | | Release date: | 2017-10-18 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Molecular and cellular mechanisms of HIF prolyl hydroxylase inhibitors in clinical trials.
Chem Sci, 8, 2017
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7FGT
 | | Discovery of DS15060524; Gene targeting chimera (GeneTAC) for the treatment of Friedreich's Ataxia (FRDA) | | Descriptor: | DNA (5'-D(*AP*AP*GP*AP*AP*GP*AP*AP*G)-3'), DNA (5'-D(*CP*TP*TP*CP*TP*TP*CP*TP*T)-3'), ~{N}-[3-[3-(dimethylamino)propylamino]-3-oxidanylidene-propyl]-1-methyl-4-[3-[[1-methyl-4-[[1-methyl-4-[3-[[1-methyl-4-[(1-methylimidazol-2-yl)carbonylamino]pyrrol-2-yl]carbonylamino]propanoylamino]imidazol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]propanoylamino]imidazole-2-carboxamide | | Authors: | Takase, N, Kawai, G, Igarashi, W, Katagiri, T. | | Deposit date: | 2021-07-28 | | Release date: | 2022-08-03 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Discovery of DS15060524; Gene targeting chimera (GeneTAC) for the treatment of Friedreich's Ataxia (FRDA)
To be published
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7JNE
 | | Crystal structure of the substrate-binding domain of E. coli DnaK in complex with the peptide RGSQLRIASR | | Descriptor: | Alkaline phosphatase peptide, Chaperone protein DnaK, SULFATE ION | | Authors: | Jansen, R.M, Ozden, C, Gierasch, L.M, Garman, S.C. | | Deposit date: | 2020-08-04 | | Release date: | 2020-08-26 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.54 Å) | | Cite: | Selective promiscuity in the binding of E. coli Hsp70 to an unfolded protein.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7JN9
 | | Crystal structure of the substrate-binding domain of E. coli DnaK in complex with the peptide QEHTGSQLRIAAYGP | | Descriptor: | Alkaline phosphatase peptide, Chaperone protein DnaK, SULFATE ION | | Authors: | Jansen, R.M, Ozden, C, Gierasch, L.M, Garman, S.C. | | Deposit date: | 2020-08-04 | | Release date: | 2020-08-26 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Selective promiscuity in the binding of E. coli Hsp70 to an unfolded protein.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7K63
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6AQF
 | | Crystal structure of A2AAR-BRIL in complex with the antagonist ZM241385 produced from Pichia pastoris | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, ... | | Authors: | Eddy, M.T, Lee, M.Y, Gao, Z, White, K, Didenko, T, Horst, R, Audet, M, Stanczak, P, McClary, K.M, Han, G.W, Jacobson, K.A, Stevens, R.C, Wuthrich, K. | | Deposit date: | 2017-08-19 | | Release date: | 2018-01-10 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Allosteric Coupling of Drug Binding and Intracellular Signaling in the A2A Adenosine Receptor.
Cell, 172, 2018
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2V1Y
 | | Structure of a phosphoinositide 3-kinase alpha adaptor-binding domain (ABD) in a complex with the iSH2 domain from p85 alpha | | Descriptor: | PHOSPHATIDYLINOSITOL 3-KINASE REGULATORY SUBUNIT ALPHA, PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT ALPHA ISOFORM | | Authors: | Miled, N, Yan, Y, Hon, W.C, Perisic, O, Zvelebil, M, Inbar, Y, Schneidman-Duhovny, D, Wolfson, H.J, Backer, J.M, Williams, R.L. | | Deposit date: | 2007-05-30 | | Release date: | 2007-07-24 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Mechanism of Two Classes of Cancer Mutations in the Phosphoinositide 3-Kinase Catalytic Subunit.
Science, 317, 2007
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2W4U
 | | Isometrically contracting insect asynchronous flight muscle quick frozen after a length step | | Descriptor: | ACTIN, ALPHA SKELETAL MUSCLE, TROPOMYOSIN ALPHA-1 CHAIN, ... | | Authors: | Wu, S, Liu, J, Reedy, M.C, Tregear, R.T, Winkler, H, Franzini-Armstrong, C, Sasaki, H, Lucaveche, C, Goldman, Y.E, Reedy, M.K, Taylor, K.A. | | Deposit date: | 2008-12-02 | | Release date: | 2010-08-25 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (35 Å) | | Cite: | Structural Changes in Isometrically Contracting Insect Flight Muscle Trapped Following a Mechanical Perturbation.
Plos One, 7, 2012
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2WJL
 | | Bacteriorhodopsin mutant E194D | | Descriptor: | Bacteriorhodopsin, RETINAL | | Authors: | Potschies, M, Wolf, S, Freier, E, Hofmann, E, Gerwert, K. | | Deposit date: | 2009-05-27 | | Release date: | 2010-08-25 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Directional proton transfer in membrane proteins achieved through protonated protein-bound water molecules: a proton diode.
Angew. Chem. Int. Ed. Engl., 49, 2010
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2VWF
 | | Grb2 SH3C (2) | | Descriptor: | GRB2-ASSOCIATED-BINDING PROTEIN 2, GROWTH FACTOR RECEPTOR-BOUND PROTEIN 2 | | Authors: | Harkiolaki, M, Tsirka, T, Feller, S.M. | | Deposit date: | 2008-06-24 | | Release date: | 2009-05-19 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Distinct Binding Modes of Two Epitopes in Gab2 that Interact with the Sh3C Domain of Grb2.
Structure, 17, 2009
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2VVK
 | | Grb2 SH3C (1) | | Descriptor: | GLYCEROL, GROWTH FACTOR RECEPTOR-BOUND PROTEIN 2 | | Authors: | Harkiolaki, M, Tsirka, T, Feller, S.M. | | Deposit date: | 2008-06-09 | | Release date: | 2009-05-19 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Distinct Binding Modes of Two Epitopes in Gab2 that Interact with the Sh3C Domain of Grb2.
Structure, 17, 2009
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2W0Z
 | | Grb2 SH3C (3) | | Descriptor: | GRB2-ASSOCIATED-BINDING PROTEIN 2, GROWTH FACTOR RECEPTOR-BOUND PROTEIN 2 | | Authors: | Harkiolaki, M, Tsirka, T, Feller, S.M. | | Deposit date: | 2008-10-13 | | Release date: | 2009-05-26 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Distinct Binding Modes of Two Epitopes in Gab2 that Interact with the Sh3C Domain of Grb2.
Structure, 17, 2009
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2XI3
 | | HCV-H77 NS5B Polymerase Complexed With GTP | | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, RNA-directed RNA polymerase | | Authors: | Harrus, D, Ahmed-El-Sayed, N, Simister, P.C, Miller, S, Triconnet, M, Hagedorn, C.H, Mahias, K, Rey, F.A, Astier-Gin, T, Bressanelli, S. | | Deposit date: | 2010-06-25 | | Release date: | 2010-08-04 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Further Insights Into the Roles of GTP and the C- Terminus of the Hepatitis C Virus Polymerase in the Initiation of RNA Synthesis
J.Biol.Chem., 285, 2010
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2XI2
 | | HCV-H77 NS5B Apo Polymerase | | Descriptor: | RNA-directed RNA polymerase, SULFATE ION | | Authors: | Harrus, D, Ahmed-El-Sayed, N, Simister, P.C, Miller, S, Triconnet, M, Hagedorn, C.H, Mahias, K, Rey, F.A, Astier-Gin, T, Bressanelli, S. | | Deposit date: | 2010-06-25 | | Release date: | 2010-08-04 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Further Insights Into the Roles of GTP and the C- Terminus of the Hepatitis C Virus Polymerase in the Initiation of RNA Synthesis
J.Biol.Chem., 285, 2010
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2WJK
 | | Bacteriorhodopsin mutant E204D | | Descriptor: | 1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL, Bacteriorhodopsin, RETINAL | | Authors: | Potschies, M, Hofmann, E, Gerwert, K. | | Deposit date: | 2009-05-27 | | Release date: | 2010-08-25 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Directional proton transfer in membrane proteins achieved through protonated protein-bound water molecules: a proton diode.
Angew. Chem. Int. Ed. Engl., 49, 2010
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4WY7
 | | Crystal structure of recombinant 4E10 expressed in Escherichia coli with epitope bound | | Descriptor: | Envelope glycoprotein gp160, Fab 4E10 Heavy chain, Fab 4E10Light chain, ... | | Authors: | Rujas, E, Morante, K, Tsumoto, K, Nieva, J.L, Caaveiro, J.M.M. | | Deposit date: | 2014-11-16 | | Release date: | 2015-03-25 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The Atomic Structure of the HIV-1 gp41 Transmembrane Domain and Its Connection to the Immunogenic Membrane-proximal External Region.
J.Biol.Chem., 290, 2015
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4X1R
 | | The crystal structure of mupain-1-12 in complex with murinised human uPA at pH7.4 | | Descriptor: | 1-phenylguanidine, Urokinase-type plasminogen activator, mupain-1-12 | | Authors: | Jiang, L, Zhao, B, Xu, P, Andreasen, P, Huang, M. | | Deposit date: | 2014-11-25 | | Release date: | 2015-03-25 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | A cyclic peptidic serine protease inhibitor: increasing affinity by increasing peptide flexibility.
Plos One, 9, 2014
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4X16
 | | JC Mad-1 polyomavirus VP1 in complex with GD1a oligosaccharide | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Major capsid protein VP1, ... | | Authors: | Stroh, L.J, Stehle, T. | | Deposit date: | 2014-11-24 | | Release date: | 2015-04-22 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The Greater Affinity of JC Polyomavirus Capsid for alpha 2,6-Linked Lactoseries Tetrasaccharide c than for Other Sialylated Glycans Is a Major Determinant of Infectivity.
J.Virol., 89, 2015
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4XF6
 | | myo-inositol 3-kinase bound with its products (ADP and 1D-myo-inositol 3-phosphate) | | Descriptor: | 1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE, 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, ... | | Authors: | Nagata, R, Fujihashi, M, Miki, K. | | Deposit date: | 2014-12-26 | | Release date: | 2015-06-03 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Crystal Structure and Product Analysis of an Archaeal myo-Inositol Kinase Reveal Substrate Recognition Mode and 3-OH Phosphorylation
Biochemistry, 54, 2015
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4XJQ
 | | The catalytic mechanism of human parainfluenza virus type 3 haemagglutinin-neuraminidase revealed | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Dirr, L, El-Deeb, I, Guillon, P, Carroux, C, Chavas, L, von Itzstein, M. | | Deposit date: | 2015-01-08 | | Release date: | 2015-02-11 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The catalytic mechanism of human parainfluenza virus type 3 haemagglutinin-neuraminidase revealed.
Angew.Chem.Int.Ed.Engl., 54, 2015
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4XF7
 | | myo-inositol 3-kinase bound with its substrates (AMPPCP and myo-inositol) | | Descriptor: | 1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE, Carbohydrate/pyrimidine kinase, PfkB family, ... | | Authors: | Nagata, R, Fujihashi, M, Miki, K. | | Deposit date: | 2014-12-26 | | Release date: | 2015-06-03 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Crystal Structure and Product Analysis of an Archaeal myo-Inositol Kinase Reveal Substrate Recognition Mode and 3-OH Phosphorylation
Biochemistry, 54, 2015
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4XJR
 | | The catalytic mechanism of human parainfluenza virus type 3 haemagglutinin-neuraminidase revealed | | Descriptor: | (6R)-2,6-anhydro-3,4,5-trideoxy-6-[(2S)-2,3-dihydroxypropanoyl]-3-fluoro-5-[(2-methylpropanoyl)amino]-4-triaza-1,2-dien -2-ium-1-yl-L-gulonic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Dirr, L, El-Deeb, I, Guillon, P, Carroux, C, Chavas, L, von Itzstein, M. | | Deposit date: | 2015-01-08 | | Release date: | 2015-02-11 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | The catalytic mechanism of human parainfluenza virus type 3 haemagglutinin-neuraminidase revealed.
Angew.Chem.Int.Ed.Engl., 54, 2015
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4XQM
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4XCR
 | | Monomeric Human Cu,Zn Superoxide dismutase, loops IV and VII deleted, apo form, mutant I35A | | Descriptor: | Superoxide dismutase [Cu-Zn] | | Authors: | Wang, H, Logan, D.T, Danielsson, J, Mu, X, Binolfi, A, Theillet, F, Bekei, B, Lang, L, Wennerstrom, H, Selenko, P, Oliveberg, M. | | Deposit date: | 2014-12-18 | | Release date: | 2016-01-20 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.602 Å) | | Cite: | Thermodynamics of protein destabilization in live cells.
Proc. Natl. Acad. Sci. U.S.A., 112, 2015
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4HT9
 | | Crystal structure of E coli Hfq bound to two RNAs | | Descriptor: | Protein hfq, RNA (5'-R(*AP*AP*AP*AP*AP*AP*A)-3'), RNA (5'-R(*AP*UP*UP*UP*UP*UP*UP*A)-3') | | Authors: | Wang, W.W, Wang, L.J. | | Deposit date: | 2012-11-01 | | Release date: | 2013-04-17 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Hfq-bridged ternary complex is important for translation activation of rpoS by DsrA.
Nucleic Acids Res., 41, 2013
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