4EVI
 
 | | Crystal Structure Analysis of Coniferyl Alcohol 9-O-Methyltransferase from Linum Nodiflorum in Complex with Coniferyl Alcohol 9-Methyl Ether and S -Adenosyl-L-Homocysteine | | Descriptor: | 2-methoxy-4-[(1E)-3-methoxyprop-1-en-1-yl]phenol, 4-[(1E)-3-hydroxyprop-1-en-1-yl]-2-methoxyphenol, Coniferyl alcohol 9-O-methyltransferase, ... | | Authors: | Wolters, S, Heine, A, Petersen, M. | | Deposit date: | 2012-04-26 | | Release date: | 2013-05-01 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.015 Å) | | Cite: | Structural analysis of coniferyl alcohol 9-O-methyltransferase from Linum nodiflorum reveals a novel active-site environment.
Acta Crystallogr.,Sect.D, 69, 2013
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4EWI
 | | Crystal structure of the NLRP4 Pyrin domain | | Descriptor: | CHLORIDE ION, NACHT, LRR and PYD domains-containing protein 4, ... | | Authors: | Eibl, C, Hessenberger, M, Puehringer, S, Page, R, Diederichs, K, Peti, W. | | Deposit date: | 2012-04-27 | | Release date: | 2012-09-05 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Structural and Functional Analysis of the NLRP4 Pyrin Domain.
Biochemistry, 51, 2012
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4H1V
 | | GMP-PNP bound dynamin-1-like protein GTPase-GED fusion | | Descriptor: | Dynamin-1-like protein, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER | | Authors: | Wenger, J, Klinglmayr, E, Eibl, C, Hessenberger, M, Goettig, P. | | Deposit date: | 2012-09-11 | | Release date: | 2013-08-21 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Functional Mapping of Human Dynamin-1-Like GTPase Domain Based on X-ray Structure Analyses.
Plos One, 8, 2013
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1CPY
 | | SITE-DIRECTED MUTAGENESIS ON (SERINE) CARBOXYPEPTIDASE Y FROM YEAST. THE SIGNIFICANCE OF THR 60 AND MET 398 IN HYDROLYSIS AND AMINOLYSIS REACTIONS | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, SERINE CARBOXYPEPTIDASE | | Authors: | Sorensen, S.B, Raaschou-Nielsen, M, Mortensen, U, Remington, S.J, Breddam, K. | | Deposit date: | 1995-03-24 | | Release date: | 1995-09-15 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Site-Directed Mutagenesis on (Serine) Carboxypeptidase Y from Yeast. The Significance of Thr 60 and met 398 in Hydrolysis and Aminolysis Reactions
J.Am.Chem.Soc., 117, 1995
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2OBQ
 | | Discovery of the HCV NS3/4A Protease Inhibitor SCH503034. Key Steps in Structure-Based Optimization | | Descriptor: | Hepatitis C virus, ZINC ION | | Authors: | Prongay, A.J, Guo, Z, Yao, N, Fischmann, T, Strickland, C, Myers Jr, J, Weber, P.C, Malcolm, B, Beyer, B.M, Ingram, R, Pichardo, J, Hong, Z, Prosise, W.W, Ramanathan, L, Taremi, S.S, Yarosh-Tomaine, T, Zhang, R, Senior, M, Yang, R, Arasappan, A, Bennett, F, Bogen, S.F, Chen, K, Jao, E, Liu, Y, Love, R.G, Saksena, A.K, Venkatraman, S, Girijavallabhan, V, Njoroge, F.G, Madison, V. | | Deposit date: | 2006-12-19 | | Release date: | 2007-07-31 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Discovery of the HCV NS3/4A protease inhibitor (1R,5S)-N-[3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]-3- [2(S)-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]- 6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2(S)-carboxamide (Sch 503034) II. Key steps in structure-based optimization.
J.Med.Chem., 50, 2007
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2OC0
 | | Structure of NS3 complexed with a ketoamide inhibitor SCh491762 | | Descriptor: | BETA-MERCAPTOETHANOL, Hepatitis C Virus, Hepatitis C virus, ... | | Authors: | Prongay, A.J, Guo, Z, Yao, N, Fischmann, T, Strickland, C, Myers Jr, J, Weber, P.C, Malcolm, B, Beyer, B.M, Ingram, R, Pichardo, J, Hong, Z, Prosise, W.W, Ramanathan, L, Taremi, S.S, Yarosh-Tomaine, T, Zhang, R, Senior, M, Yang, R, Arasappan, A, Bennett, F, Bogen, S.F, Chen, K, Jao, E, Liu, Y, Love, R.G, Saksena, A.K, Venkatraman, S, Girijavallabhan, V, Njoroge, F.G, Madison, V. | | Deposit date: | 2006-12-20 | | Release date: | 2007-07-31 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Discovery of the HCV NS3/4A protease inhibitor (1R,5S)-N-[3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]-3- [2(S)-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]- 6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2(S)-carboxamide (Sch 503034) II. Key steps in structure-based optimization.
J.Med.Chem., 50, 2007
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2OC1
 | | Structure of the HCV NS3/4A Protease Inhibitor CVS4819 | | Descriptor: | (2S)-({N-[(3S)-3-({N-[(2S,4E)-2-ISOPROPYL-7-METHYLOCT-4-ENOYL]-L-LEUCYL}AMINO)-2-OXOHEXANOYL]GLYCYL}AMINO)(PHENYL)ACETI C ACID, Hepatitis C virus, ZINC ION | | Authors: | Prongay, A.J, Guo, Z, Yao, N, Fischmann, T, Strickland, C, Myers Jr, J, Weber, P.C, Malcolm, B, Beyer, B.M, Ingram, R, Pichardo, J, Hong, Z, Prosise, W.W, Ramanathan, L, Taremi, S.S, Yarosh-Tomaine, T, Zhang, R, Senior, M, Yang, R, Arasappan, A, Bennett, F, Bogen, S.F, Chen, K, Jao, E, Liu, Y, Love, R.G, Saksena, A.K, Venkatraman, S, Girijavallabhan, V, Njoroge, F.G, Madison, V. | | Deposit date: | 2006-12-20 | | Release date: | 2007-07-31 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Discovery of the HCV NS3/4A protease inhibitor (1R,5S)-N-[3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]-3- [2(S)-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]- 6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2(S)-carboxamide (Sch 503034) II. Key steps in structure-based optimization.
J.Med.Chem., 50, 2007
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7EBT
 | | Crystal structure of Aedes aegypti Noppera-bo, glutathione S-transferase epsilon 8, in glutathione-bound form | | Descriptor: | CALCIUM ION, GLUTATHIONE, Glutathione transferase | | Authors: | Inaba, K, Koiwai, K, Senda, M, Senda, T, Niwa, R. | | Deposit date: | 2021-03-11 | | Release date: | 2022-01-26 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.51 Å) | | Cite: | Molecular action of larvicidal flavonoids on ecdysteroidogenic glutathione S-transferase Noppera-bo in Aedes aegypti.
Bmc Biol., 20, 2022
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7EBW
 | | Crystal structure of Aedes aegypti Noppera-bo, glutathione S-transferase epsilon 8, in desmethylglycitein and glutathione-bound form | | Descriptor: | 6,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one, CALCIUM ION, GLUTATHIONE, ... | | Authors: | Inaba, K, Koiwai, K, Senda, M, Senda, T, Niwa, R. | | Deposit date: | 2021-03-11 | | Release date: | 2022-01-26 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Molecular action of larvicidal flavonoids on ecdysteroidogenic glutathione S-transferase Noppera-bo in Aedes aegypti.
Bmc Biol., 20, 2022
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7EBV
 | | Crystal structure of Aedes aegypti Noppera-bo, glutathione S-transferase epsilon 8, in luteolin- and glutathione-bound form | | Descriptor: | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one, CALCIUM ION, GLUTATHIONE, ... | | Authors: | Inaba, K, Koiwai, K, Senda, M, Senda, T, Niwa, R. | | Deposit date: | 2021-03-11 | | Release date: | 2022-01-26 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Molecular action of larvicidal flavonoids on ecdysteroidogenic glutathione S-transferase Noppera-bo in Aedes aegypti.
Bmc Biol., 20, 2022
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2OBO
 | | Structure of HEPATITIS C VIRAL NS3 protease domain complexed with NS4A peptide and ketoamide SCH476776 | | Descriptor: | BETA-MERCAPTOETHANOL, HCV NS3 protease, HCV NS4A peptide, ... | | Authors: | Prongay, A.J, Guo, Z, Yao, N, Fischmann, T, Strickland, C, Myers Jr, J, Weber, P.C, Malcolm, B, Beyer, B.M, Ingram, R, Pichardo, J, Hong, Z, Prosise, W.W, Ramanathan, L, Taremi, S.S, Yarosh-Tomaine, T, Zhang, R, Senior, M, Yang, R, Arasappan, A, Bennett, F, Bogen, S.F, Chen, K, Jao, E, Liu, Y, Love, R.G, Saksena, A.K, Venkatraman, S, Girijavallabhan, V, Njoroge, F.G, Madison, V. | | Deposit date: | 2006-12-19 | | Release date: | 2007-07-31 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Discovery of the HCV NS3/4A protease inhibitor (1R,5S)-N-[3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]-3- [2(S)-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]- 6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2(S)-carboxamide (Sch 503034) II. Key steps in structure-based optimization.
J.Med.Chem., 50, 2007
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3BFU
 | | Structure of the ligand-binding core of GluR2 in complex with the agonist (R)-TDPA at 1.95 A resolution | | Descriptor: | (2R)-2-amino-3-(4-hydroxy-1,2,5-thiadiazol-3-yl)propanoic acid, Glutamate receptor 2 | | Authors: | Beich-Frandsen, M, Mirza, O, Vestergaard, B, Gajhede, M, Kastrup, J.S. | | Deposit date: | 2007-11-23 | | Release date: | 2008-10-14 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structures of the ligand-binding core of iGluR2 in complex with the agonists (R)- and (S)-2-amino-3-(4-hydroxy-1,2,5-thiadiazol-3-yl)propionic acid explain their unusual equipotency.
J.Med.Chem., 51, 2008
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7E4D
 | | Crystal structure of PlDBR | | Descriptor: | Double Bond Reductase | | Authors: | Sugimoto, K, Senda, M, Senda, T. | | Deposit date: | 2021-02-11 | | Release date: | 2022-02-02 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Exploration and structure-based engineering of alkenal double bond reductases catalyzing the C alpha C beta double bond reduction of coniferaldehyde.
N Biotechnol, 68, 2022
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7EBU
 | | Crystal structure of Aedes aegypti Noppera-bo, glutathione S-transferase epsilon 8, in Daidzein- and glutathione-bound form | | Descriptor: | 7-hydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one, CALCIUM ION, GLUTATHIONE, ... | | Authors: | Inaba, K, Koiwai, K, Senda, M, Senda, T, Niwa, R. | | Deposit date: | 2021-03-11 | | Release date: | 2022-01-26 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Molecular action of larvicidal flavonoids on ecdysteroidogenic glutathione S-transferase Noppera-bo in Aedes aegypti.
Bmc Biol., 20, 2022
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3U9W
 | | Structure of human Leukotriene A4 hydrolase in complex with inhibitor sc57461A | | Descriptor: | ACETATE ION, CHLORIDE ION, GLYCEROL, ... | | Authors: | Niegowski, D, Thunnissen, M, Tholander, F, Rinaldo-Matthis, A, Muroya, A, Haeggstrom, J.Z. | | Deposit date: | 2011-10-20 | | Release date: | 2012-10-24 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Structure of human Leukotriene A4 hydrolase in complex with inhibitor sc57461A
To be Published
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1DD8
 | | CRYSTAL STRUCTURE OF BETA-KETOACYL-[ACYL CARRIER PROTEIN] SYNTHASE I FROM ESCHERICHIA COLI | | Descriptor: | BETA-KETOACYL [ACYL CARRIER PROTEIN] SYNTHASE I | | Authors: | Olsen, J.G, Kadziola, A, von Wettstein-Knowles, P, Siggaard-Andersen, M, Lindquist, Y, Larsen, S. | | Deposit date: | 1999-11-09 | | Release date: | 1999-11-18 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The X-ray crystal structure of beta-ketoacyl [acyl carrier protein] synthase I.
FEBS Lett., 460, 1999
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4G5E
 | | 2,4,6-Trichlorophenol 4-monooxygenase | | Descriptor: | 2,4,6-Trichlorophenol 4-monooxygenase | | Authors: | Hayes, R.P, Webb, B.N, Subramanian, A.K, Nissen, M, Popchock, A, Xun, L, Kang, C. | | Deposit date: | 2012-07-17 | | Release date: | 2012-09-19 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural and Catalytic Differences between Two FADH(2)-Dependent Monooxygenases: 2,4,5-TCP 4-Monooxygenase (TftD) from Burkholderia cepacia AC1100 and 2,4,6-TCP 4-Monooxygenase (TcpA) from Cupriavidus necator JMP134.
Int J Mol Sci, 13, 2012
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4J7X
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6EBB
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4H9G
 | | Probing EF-Tu with a very small brominated fragment library identifies the CCA pocket | | Descriptor: | 5-bromofuran-2-carboxylic acid, AMMONIUM ION, Elongation factor Tu-A, ... | | Authors: | Groftehauge, M.K, Therkelsen, M, Taaning, R.H, Skrydstrup, T, Morth, J.P, Nissen, P. | | Deposit date: | 2012-09-24 | | Release date: | 2013-09-11 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Identifying ligand-binding hot spots in proteins using brominated fragments.
Acta Crystallogr.,Sect.F, 69, 2013
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1W86
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3WRC
 | | Crystal structure of the anaerobic DesB-Protocatechuate (PCA) complex | | Descriptor: | 3,4-DIHYDROXYBENZOIC ACID, FE (II) ION, Gallate dioxygenase | | Authors: | Sugimoto, K, Senda, M, Kasai, D, Fukuda, M, Masai, E, Senda, T. | | Deposit date: | 2014-02-21 | | Release date: | 2014-04-30 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Molecular Mechanism of Strict Substrate Specificity of an Extradiol Dioxygenase, DesB, Derived from Sphingobium sp. SYK-6
Plos One, 9, 2014
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3WR9
 | | Crystal structure of the Anaerobic DesB-Gallate complex | | Descriptor: | 3,4,5-trihydroxybenzoic acid, FE (II) ION, Gallate dioxygenase | | Authors: | Sugimoto, K, Senda, M, Kasai, D, Fukuda, M, Masai, E, Senda, T. | | Deposit date: | 2014-02-21 | | Release date: | 2014-04-30 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Molecular Mechanism of Strict Substrate Specificity of an Extradiol Dioxygenase, DesB, Derived from Sphingobium sp. SYK-6
Plos One, 9, 2014
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3WPM
 | | Crystal structure of the anaerobic DesB-gallate complex by co-crystallization | | Descriptor: | 3,4,5-trihydroxybenzoic acid, FE (III) ION, Gallate dioxygenase | | Authors: | Sugimoto, K, Senda, M, Kasai, D, Fukuda, M, Masai, E, Senda, T. | | Deposit date: | 2014-01-14 | | Release date: | 2014-04-30 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Molecular Mechanism of Strict Substrate Specificity of an Extradiol Dioxygenase, DesB, Derived from Sphingobium sp. SYK-6
Plos One, 9, 2014
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3WR4
 | | Crystal structure of the anaerobic DesB-gallate complex | | Descriptor: | 3,4,5-trihydroxybenzoic acid, FE (III) ION, Gallate dioxygenase | | Authors: | Sugimoto, K, Senda, M, Kasai, D, Fukuda, M, Masai, E, Senda, T. | | Deposit date: | 2014-02-13 | | Release date: | 2014-04-30 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Molecular Mechanism of Strict Substrate Specificity of an Extradiol Dioxygenase, DesB, Derived from Sphingobium sp. SYK-6
Plos One, 9, 2014
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