5WBN
 
 | | Crystal structure of fragment 3-(3-Benzyl-2-oxo-2H-[1,2,4]triazino[2,3-c]quinazolin-6-yl)propanoic acid bound in the ubiquitin binding pocket of the HDAC6 zinc-finger domain | | Descriptor: | 3-(3-benzyl-2-oxo-2H-[1,2,4]triazino[2,3-c]quinazolin-6-yl)propanoic acid, ACETATE ION, CHLORIDE ION, ... | | Authors: | Harding, R.J, Walker, J.R, Ferreira de Freitas, R, Ravichandran, M, Santhakumar, V, Schapira, M, Bountra, C, Edwards, A.M, Arrowsmith, C.H. | | Deposit date: | 2017-06-29 | | Release date: | 2017-08-02 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Crystal structure of fragment 3-(3-Benzyl-2-oxo-2H-[1,2,4]triazino[2,3-c]quinazolin-6-yl)propanoic acid bound in the ubiquitin binding pocket of the HDAC6 zinc-finger domain
To be published
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1P6D
 | | STRUCTURE OF THE D55N MUTANT OF PHOSPHOLIPASE C FROM BACILLUS CEREUS IN COMPLEX WITH (3S)-3,4,DI-N-HEXANOYLOXYBUTYL-1-PHOSPHOCHOLINE | | Descriptor: | (3S)-3,4-DI-N-HEXANOYLOXYBUTYL-1-PHOSPHOCHOLINE, PHOSPHOLIPASE C, ZINC ION | | Authors: | Antikainen, N.M, Monzingo, A.F, Franklin, C.L, Robertus, J.D, Martin, S.F. | | Deposit date: | 2003-04-29 | | Release date: | 2003-09-30 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Using X-ray crystallography of the Asp55Asn mutant of the phosphatidylcholine-preferring phospholipase C from Bacillus cereus to support the mechanistic role of Asp55 as the general base.
Arch.Biochem.Biophys., 417, 2003
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1HJF
 | | Alteration of the co-substrate selectivity of deacetoxycephalosporin C synthase: The role of arginine-258 | | Descriptor: | 2-OXO-4-METHYLPENTANOIC ACID, DEACETOXYCEPHALOSPORIN C SYNTHASE, FE (II) ION | | Authors: | Lee, H.J, Lloyd, M.D, Clifton, I.J, Harlos, K, Dubus, A, Baldwin, J.E, Frere, J.M, Schofield, C.J. | | Deposit date: | 2001-01-15 | | Release date: | 2001-06-01 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Alteration of the 2-Oxoacid Cosubstrate Selectivity in Deacetoxycephalosporin C Synthase: The Role of Arginine-258
J.Biol.Chem., 276, 2001
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5D98
 | | Influenza C Virus RNA-dependent RNA Polymerase - Space group P43212 | | Descriptor: | MAGNESIUM ION, Polymerase acidic protein, Polymerase basic protein 2, ... | | Authors: | Hengrung, N, El Omari, K, Serna Martin, I, Vreede, F.T, Cusack, S, Rambo, R.P, Vonrhein, C, Bricogne, G, Stuart, D.I, Grimes, J.M, Fodor, E. | | Deposit date: | 2015-08-18 | | Release date: | 2015-10-21 | | Last modified: | 2017-09-13 | | Method: | X-RAY DIFFRACTION (3.9 Å) | | Cite: | Crystal structure of the RNA-dependent RNA polymerase from influenza C virus.
Nature, 527, 2015
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5D9A
 | | Influenza C Virus RNA-dependent RNA Polymerase - Space group P212121 | | Descriptor: | Polymerase acidic protein, Polymerase basic protein 2, RNA-directed RNA polymerase catalytic subunit | | Authors: | Hengrung, N, El Omari, K, Serna Martin, I, Vreede, F.T, Cusack, S, Rambo, R.P, Vonrhein, C, Bricogne, G, Stuart, D.I, Grimes, J.M, Fodor, E. | | Deposit date: | 2015-08-18 | | Release date: | 2015-10-21 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (4.3 Å) | | Cite: | Crystal structure of the RNA-dependent RNA polymerase from influenza C virus.
Nature, 527, 2015
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2YAD
 | | BRICHOS domain of Surfactant protein C precursor protein | | Descriptor: | SURFACTANT PROTEIN C BRICHOS DOMAIN | | Authors: | Askarieh, G, Siponen, M.I, Willander, H, Landreh, M, Westermark, P, Nordling, K, Keranen, H, Hermansson, E, Hamvas, A, Nogee, L.M, Bergman, T, Saenz, A, Casals, C, Aqvist, J, Jornvall, H, Presto, J, Johansson, J, Arrowsmith, C.H, Bountra, C, Collins, R, Edwards, A.M, Ekblad, T, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Karlberg, T, Kol, S, Kotenyova, T, Kouznetsova, E, Moche, M, Nyman, T, Nordlund, P, Persson, C, Schuler, H, Thorsell, A.G, Tresaugues, L, van den Berg, S, Wahlberg, E, Weigelt, J, Welin, M, Berglund, H, Knight, S.D. | | Deposit date: | 2011-02-18 | | Release date: | 2012-02-15 | | Last modified: | 2014-08-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | High Resolution Structure of a Bricos Domain and its Implications for Anti-Amyloid Chaperone Activity on Lung Surgactant Protein C.
Proc.Natl.Acad.Sci.USA, 109, 2012
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2SEC
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2VR0
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1E5I
 | | DELTA-R306 DEACETOXYCEPHALOSPORIN C SYNTHASE COMPLEXED WITH IRON AND 2-OXOGLUTARATE. | | Descriptor: | 2-OXOGLUTARIC ACID, DEACETOXYCEPHALOSPORIN C SYNTHASE, FE (II) ION | | Authors: | Lee, H.J, Lloyd, M.D, Harlos, K, Clifton, I.J, Baldwin, J.E, Schofield, C.J. | | Deposit date: | 2000-07-26 | | Release date: | 2001-07-26 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Kinetic and Crystallographic Studies on Deacetoxycephalosporin C Synthase (Daocs)
J.Mol.Biol., 308, 2001
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1E5H
 | | DELTA-R307A DEACETOXYCEPHALOSPORIN C SYNTHASE COMPLEXED WITH SUCCINATE AND CARBON DIOXIDE | | Descriptor: | CARBON DIOXIDE, DEACETOXYCEPHALOSPORIN C SYNTHASE, FE (II) ION, ... | | Authors: | Lee, H.J, Lloyd, M.D, Harlos, K, Clifton, I.J, Baldwin, J.E, Schofield, C.J. | | Deposit date: | 2000-07-26 | | Release date: | 2001-07-26 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Kinetic and Crystallographic Studies on Deacetoxycephalosporin C Synthase (Daocs)
J.Mol.Biol., 308, 2001
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4RA4
 | | Crystal Structure of Human Protein Kinase C Alpha in Complex with Compound 28 ((R)-6-((3S,4S)-1,3-Dimethyl-piperidin-4-yl)-7-(2-fluoro-phenyl)-4-methyl-2,10-dihydro-9-oxa-1,2,4a-triaza-phenanthren-3-one) | | Descriptor: | (1R)-9-[(3S,4S)-1,3-dimethylpiperidin-4-yl]-8-(2-fluorophenyl)-1-methyl-3,5-dihydro[1,2,4]triazino[3,4-c][1,4]benzoxazin-2(1H)-one, Protein kinase C | | Authors: | Argiriadi, M.A, George, D.M. | | Deposit date: | 2014-09-09 | | Release date: | 2014-10-08 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.63 Å) | | Cite: | Optimized Protein Kinase C theta (PKC theta ) Inhibitors Reveal Only Modest Anti-inflammatory Efficacy in a Rodent Model of Arthritis.
J.Med.Chem., 58, 2015
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4RA5
 | | Human Protein Kinase C THETA IN COMPLEX WITH LIGAND COMPOUND 11a (6-[(1,3-Dimethyl-azetidin-3-yl)-methyl-amino]-4(R)-methyl-7-phenyl-2,10-dihydro-9-oxa-1,2,4a-triaza-phenanthren-3-one) | | Descriptor: | (1R)-9-[(1,3-dimethylazetidin-3-yl)(methyl)amino]-1-methyl-8-phenyl-3,5-dihydro[1,2,4]triazino[3,4-c][1,4]benzoxazin-2(1H)-one, 1,2-ETHANEDIOL, HUMAN PROTEIN KINASE C THETA, ... | | Authors: | Argiriadi, M.A, George, D.M. | | Deposit date: | 2014-09-09 | | Release date: | 2014-10-08 | | Last modified: | 2015-02-04 | | Method: | X-RAY DIFFRACTION (2.61 Å) | | Cite: | Optimized Protein Kinase C theta (PKC theta ) Inhibitors Reveal Only Modest Anti-inflammatory Efficacy in a Rodent Model of Arthritis.
J.Med.Chem., 58, 2015
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5O0Z
 | | Structure of laspartomycin C in complex with geranyl-phosphate | | Descriptor: | ACETIC ACID, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Vlieg, H.C, Kleijn, L.H.J, Martin, N.I, Janssen, B.J.C. | | Deposit date: | 2017-05-17 | | Release date: | 2017-11-15 | | Last modified: | 2019-10-16 | | Method: | X-RAY DIFFRACTION (1.28 Å) | | Cite: | A High-Resolution Crystal Structure that Reveals Molecular Details of Target Recognition by the Calcium-Dependent Lipopeptide Antibiotic Laspartomycin C.
Angew. Chem. Int. Ed. Engl., 56, 2017
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1N64
 | | Crystal structure analysis of the immunodominant antigenic site on Hepatitis C virus protein bound to mAb 19D9D6 | | Descriptor: | Fab 19D9D6 heavy chain, Fab 19D9D6 light chain, Genome polyprotein Capsid protein C | | Authors: | Menez, R, Bossus, M, Muller, B, Sibai, G, Dalbon, P, Ducancel, F, Jolivet-Reynaud, C, Stura, E. | | Deposit date: | 2002-11-08 | | Release date: | 2003-02-25 | | Last modified: | 2013-09-18 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | Crystal structure of a hydrophobic immunodominant
antigenic site on hepatitis C virus core protein
complexed to monoclonal antibody 19D9D6.
J.Immunol., 170, 2003
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4Q9Z
 | | Human Protein Kinase C Theta in Complex with Compound35 ((1R)-9-(AZETIDIN-3-YLAMINO)-1,8-DIMETHYL-3,5-DIHYDRO[1,2,4]TRIAZINO[3,4-C][1,4]BENZOXAZIN-2(1H)-ONE) | | Descriptor: | (1R)-9-(azetidin-3-ylamino)-1,8-dimethyl-3,5-dihydro[1,2,4]triazino[3,4-c][1,4]benzoxazin-2(1H)-one, HUMAN PROTEIN KINASE C THETA, SODIUM ION | | Authors: | Argiriadi, M.A, George, D.M. | | Deposit date: | 2014-05-02 | | Release date: | 2014-07-02 | | Last modified: | 2015-01-21 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Discovery of Selective and Orally Bioavailable Protein Kinase C theta (PKC theta ) Inhibitors from a Fragment Hit.
J.Med.Chem., 58, 2015
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1LQV
 | | Crystal structure of the Endothelial protein C receptor with phospholipid in the groove in complex with Gla domain of protein C. | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Endothelial protein C receptor, ... | | Authors: | Oganesyan, V, Oganesyan, N, Terzyan, S, Dongfeng, Q, Dauter, Z, Esmon, N.L, Esmon, C.T. | | Deposit date: | 2002-05-13 | | Release date: | 2002-06-19 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | The crystal structure of the endothelial protein C receptor and a bound phospholipid.
J.Biol.Chem., 277, 2002
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4RNH
 | | PaMorA tandem diguanylate cyclase - phosphodiesterase, c-di-GMP complex | | Descriptor: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), MAGNESIUM ION, Motility regulator | | Authors: | Phippen, C.W, Tews, I. | | Deposit date: | 2014-10-24 | | Release date: | 2014-11-19 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Formation and dimerization of the phosphodiesterase active site of the Pseudomonas aeruginosa MorA, a bi-functional c-di-GMP regulator.
Febs Lett., 588, 2014
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3OUE
 | | Structure of C-terminal hexaheme fragment of GSU1996 | | Descriptor: | Cytochrome c family protein, HEME C, SULFATE ION | | Authors: | Pokkuluri, P.R, Schiffer, M. | | Deposit date: | 2010-09-14 | | Release date: | 2010-12-29 | | Last modified: | 2021-03-03 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structure of a novel dodecaheme cytochrome c from Geobacter sulfurreducens reveals an extended 12nm protein with interacting hemes.
J.Struct.Biol., 174, 2011
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4KBY
 | | mSTING/c-di-GMP | | Descriptor: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), Stimulator of interferon genes protein | | Authors: | Chin, K.H, Su, Y.C, Tu, J.L, Chou, S.H. | | Deposit date: | 2013-04-24 | | Release date: | 2013-05-29 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.36 Å) | | Cite: | Novel c-di-GMP recognition modes of the mouse innate immune adaptor protein STING
Acta Crystallogr.,Sect.D, 69, 2013
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1YWM
 | | Crystal structure of the N-terminal domain of group B Streptococcus alpha C protein | | Descriptor: | (2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, C protein alpha-antigen, GLYCEROL | | Authors: | Auperin, T.C, Bolduc, G.R, Baron, M.J, Heroux, A, Filman, D.J, Madoff, L.C, Hogle, J.M. | | Deposit date: | 2005-02-18 | | Release date: | 2005-03-08 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Crystal structure of the N-terminal domain of the group B streptococcus alpha C protein.
J.Biol.Chem., 280, 2005
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2D3U
 | | X-ray crystal structure of hepatitis C virus RNA dependent RNA polymerase in complex with non-nucleoside analogue inhibitor | | Descriptor: | 5-(4-CYANOPHENYL)-3-{[(2-METHYLPHENYL)SULFONYL]AMINO}THIOPHENE-2-CARBOXYLIC ACID, polyprotein | | Authors: | Biswal, B.K, Wang, M, Cherney, M.M, Chan, L, Yannopoulos, C.G, Bilimoria, D, Bedard, J, James, M.N.G. | | Deposit date: | 2005-10-02 | | Release date: | 2006-08-01 | | Last modified: | 2017-10-11 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Non-nucleoside Inhibitors Binding to Hepatitis C Virus NS5B Polymerase Reveal a Novel Mechanism of Inhibition
J.Mol.Biol., 361, 2006
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2TEC
 | | MOLECULAR DYNAMICS REFINEMENT OF A THERMITASE-EGLIN-C COMPLEX AT 1.98 ANGSTROMS RESOLUTION AND COMPARISON OF TWO CRYSTAL FORMS THAT DIFFER IN CALCIUM CONTENT | | Descriptor: | CALCIUM ION, EGLIN C, THERMITASE | | Authors: | Gros, P, Betzel, C, Dauter, Z, Wilson, K.S, Hol, W.G.J. | | Deposit date: | 1990-10-26 | | Release date: | 1992-01-15 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Molecular dynamics refinement of a thermitase-eglin-c complex at 1.98 A resolution and comparison of two crystal forms that differ in calcium content.
J.Mol.Biol., 210, 1989
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7CRG
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3CXH
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5NGX
 | | The 1.06 A resolution structure of the L16G mutant of ferric cytochrome c prime from Alcaligenes xylosoxidans, complexed with nitrite | | Descriptor: | Cytochrome c', GLYCEROL, HEME C, ... | | Authors: | Strange, R, Hough, M, Kekelli, D, Horrell, S, Moreno Chicano, T. | | Deposit date: | 2017-03-20 | | Release date: | 2018-05-16 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.06 Å) | | Cite: | Distinguishing Nitro vs Nitrito Coordination in Cytochrome c' Using Vibrational Spectroscopy and Density Functional Theory.
Inorg.Chem., 56, 2017
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