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2UUH
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BU of 2uuh by Molmil
Crystal structure of Human Leukotriene C4 Synthase in complex with substrate glutathione
Descriptor: DODECYL-ALPHA-D-MALTOSIDE, GLUTATHIONE, LEUKOTRIENE C4 SYNTHASE, ...
Authors:Martinez Molina, D, Wetterholm, A, Kohl, A, McCarthy, A.A, Niegowski, D, Ohlson, E, Hammarberg, T, Eshaghi, S, Haeggstrom, J.Z, Nordlund, P.
Deposit date:2007-03-02
Release date:2007-07-17
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural Basis for Synthesis of Inflammatory Mediators by Human Leukotriene C4 Synthase.
Nature, 448, 2007
2X34
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BU of 2x34 by Molmil
Structure of a polyisoprenoid binding domain from Saccharophagus degradans implicated in plant cell wall breakdown
Descriptor: CELLULOSE-BINDING PROTEIN, X158, Ubiquinone-8
Authors:Vincent, F, Dal Molin, D, Weiner, R.M, Bourne, Y, Henrissat, B.
Deposit date:2010-01-19
Release date:2010-03-23
Last modified:2018-03-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of a Polyisoprenoid Binding Domain from Saccharophagus Degradans Implicated in Plant Cell Wall Breakdown
FEBS Lett., 584, 2010
2X32
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BU of 2x32 by Molmil
Structure of a polyisoprenoid binding domain from Saccharophagus degradans implicated in plant cell wall breakdown
Descriptor: (2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-OCTAMETHYLDOTRIACONTA-2,6,10,14,18,22,26,30-OCTAENYL TRIHYDROGEN DIPHOSPHATE, CELLULOSE-BINDING PROTEIN, IMIDAZOLE
Authors:Vincent, F, Dal Molin, D, Weiner, R.M, Bourne, Y, Henrissat, B.
Deposit date:2010-01-19
Release date:2010-03-23
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structure of a Polyisoprenoid Binding Domain from Saccharophagus Degradans Implicated in Plant Cell Wall Breakdown
FEBS Lett., 584, 2010
2WIP
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BU of 2wip by Molmil
STRUCTURE OF CDK2-CYCLIN A COMPLEXED WITH 8-ANILINO-1-METHYL-4,5-DIHYDRO- 1H-PYRAZOLO[4,3-H] QUINAZOLINE-3-CARBOXYLIC ACID
Descriptor: 1-methyl-8-(phenylamino)-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxylic acid, CELL DIVISION PROTEIN KINASE 2, CYCLIN-A2, ...
Authors:Brasca, M.G, Amboldi, N, Ballinari, D, Cameron, A.D, Casale, E, Cervi, G, Colombo, M, Colotta, F, Croci, V, Dalessio, R, Fiorentini, F, Isacchi, A, Mercurio, C, Moretti, W, Panzeri, A, Pastori, W, Pevarello, P, Quartieri, F, Roletto, F, Traquandi, G, Vianello, P, Vulpetti, A, Ciomei, M.
Deposit date:2009-05-14
Release date:2009-07-28
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Identification of N,1,4,4-Tetramethyl-8-{[4-(4-Methylpiperazin-1-Yl)Phenyl]Amino}-4,5-Dihydro-1H-Pyrazolo[4,3-H]Quinazoline-3-Carboxamide (Pha-848125), a Potent, Orally Available Cyclin Dependent Kinase Inhibitor.
J.Med.Chem., 52, 2009
2WIH
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BU of 2wih by Molmil
STRUCTURE OF CDK2-CYCLIN A WITH PHA-848125
Descriptor: CELL DIVISION PROTEIN KINASE 2, CYCLIN-A2, N,1,4,4-TETRAMETHYL-8-{[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]AMINO}-4,5-DIHYDRO-1H-PYRAZOLO[4,3-H]QUINAZOLINE-3-CARBOXAMIDE, ...
Authors:Brasca, M.G, Amboldi, N, Ballinari, D, Cameron, A.D, Casale, E, Cervi, G, Colombo, M, Colotta, F, Croci, V, Dalessio, R, Fiorentini, F, Isacchi, A, Mercurio, C, Moretti, W, Panzeri, A, Pastori, W, Pevarello, P, Quartieri, F, Roletto, F, Traquandi, G, Vianello, P, Vulpetti, A, Ciomei, M.
Deposit date:2009-05-13
Release date:2009-07-28
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Identification of N,1,4,4-Tetramethyl-8-{[4-(4-Methylpiperazin-1-Yl)Phenyl]Amino}-4,5-Dihydro-1H-Pyrazolo[4,3-H]Quinazoline-3-Carboxamide (Pha-848125), a Potent, Orally Available Cyclin Dependent Kinase Inhibitor.
J.Med.Chem., 52, 2009
2X8X
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BU of 2x8x by Molmil
Structure of the N-terminal domain of Omp85 from the Thermophilic Cyanobacterium Thermosynechococcus elongatus
Descriptor: TLR1789 PROTEIN
Authors:Arnold, T, Zeth, K, Linke, D.
Deposit date:2010-03-13
Release date:2010-03-23
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Omp85 from the Thermophilic Cyanobacterium Thermosynechococcus Elongatus Differs from Proteobacterial Omp85 in Structure and Domain Composition.
J.Biol.Chem., 285, 2010
2X7C
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BU of 2x7c by Molmil
Crystal structure of human kinesin Eg5 in complex with (S)-enastron
Descriptor: (S)-4-(3-HYDROXYPHENYL)-2-THIOXO-1,2,3,4,7,8-HEXAHYDROQUINAZOLIN-5(6H)-ONE, ADENOSINE-5'-DIPHOSPHATE, KINESIN-LIKE PROTEIN KIF11, ...
Authors:Kaan, H.Y.K, Ulaganathan, V, Rath, O, Laggner, C, Prokopcova, H, Dallinger, D, Kappe, C.O, Kozielski, F.
Deposit date:2010-02-26
Release date:2010-07-14
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Basis for Inhibition of Eg5 by Dihydropyrimidines: Stereoselectivity of Antimitotic Inhibitors Enastron, Dimethylenastron and Fluorastrol.
J.Med.Chem., 53, 2010
2X7D
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BU of 2x7d by Molmil
Crystal structure of human kinesin Eg5 in complex with (S)-dimethylenastron
Descriptor: (4S)-4-(3-HYDROXYPHENYL)-7,7-DIMETHYL-2-THIOXO-2,3,4,6,7,8-HEXAHYDROQUINAZOLIN-5(1H)-ONE, ADENOSINE-5'-DIPHOSPHATE, KINESIN-LIKE PROTEIN KIF11, ...
Authors:Kaan, H.Y.K, Ulaganathan, V, Rath, O, Laggner, C, Prokopcova, H, Dallinger, D, Kappe, C.O, Kozielski, F.
Deposit date:2010-02-26
Release date:2010-07-14
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural Basis for Inhibition of Eg5 by Dihydropyrimidines: Stereoselectivity of Antimitotic Inhibitors Enastron, Dimethylenastron and Fluorastrol.
J.Med.Chem., 53, 2010
2X7E
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BU of 2x7e by Molmil
Crystal structure of human kinesin Eg5 in complex with (R)-fluorastrol
Descriptor: (4R)-5-[(S)-(3,4-DIFLUOROPHENYL)(HYDROXY)METHYL]-4-(3-HYDROXYPHENYL)-1,6-DIMETHYL-3,4-DIHYDROPYRIMIDINE-2(1H)-THIONE, ADENOSINE-5'-DIPHOSPHATE, KINESIN-LIKE PROTEIN KIF11, ...
Authors:Kaan, H.Y.K, Ulaganathan, V, Rath, O, Laggner, C, Prokopcova, H, Dallinger, D, Kappe, C.O, Kozielski, F.
Deposit date:2010-02-26
Release date:2010-07-14
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural Basis for Inhibition of Eg5 by Dihydropyrimidines: Stereoselectivity of Antimitotic Inhibitors Enastron, Dimethylenastron and Fluorastrol.
J.Med.Chem., 53, 2010
2QFA
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BU of 2qfa by Molmil
Crystal structure of a Survivin-Borealin-INCENP core complex
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Baculoviral IAP repeat-containing protein 5, Borealin, ...
Authors:Jeyaprakash, A.A, Klein, U.R, Lindner, D, Ebert, J, Nigg, E.A, Conti, E.
Deposit date:2007-06-27
Release date:2007-11-06
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structure of a Survivin-Borealin-INCENP Core Complex Reveals How Chromosomal Passengers Travel Together.
Cell(Cambridge,Mass.), 131, 2007
5N5O
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BU of 5n5o by Molmil
Structure of SARS coronavirus main protease in complex with the alpha-ketoamide (S)-N-benzyl-3-((S)-2-cinnamamido-3-cyclopropylpropanamido)-2-oxo-4-((S)-2-oxopyrrolidin-3-yl)butanamide (Cinnamoyl-cyclopropylalanine-GlnLactam-CO-CO-NH-benzyl)
Descriptor: (2~{R},3~{S})-3-[[(2~{S})-3-cyclopropyl-2-[[(~{E})-3-phenylprop-2-enoyl]amino]propanoyl]amino]-2-oxidanyl-4-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-~{N}-(phenylmethyl)butanamide, Replicase polyprotein 1ab
Authors:Zhang, L, Hilgenfeld, R.
Deposit date:2017-02-14
Release date:2018-03-07
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Alpha-ketoamides as broad-spectrum inhibitors of coronavirus and enterovirus replication
To Be Published
5NH0
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BU of 5nh0 by Molmil
Structure of human coronavirus NL63 main protease in complex with the alpha-ketoamide tert-Butyl ((S)-4-(benzylamino)-3,4-dioxo-1-((S)-2-oxopyrrolidin-3-yl)b- utan-2-yl)carbamate (tert-butyl -GlnLactam-CO-CO-NH-benzyl)
Descriptor: 3C-like proteinase, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Zhang, L, Hilgenfeld, R.
Deposit date:2017-03-21
Release date:2018-05-16
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Alpha-ketoamides as broad-spectrum inhibitors of coronavirus and enterovirus replication
To Be Published
4W7J
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BU of 4w7j by Molmil
CRYSTAL STRUCTURE OF A DECOLORIZING PEROXIDASE (DYP) FROM AURICULARIA AURICULA-JUDAE
Descriptor: Dye-decolorizing peroxidase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Medrano, F.J, Romero, A.
Deposit date:2014-08-22
Release date:2015-03-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Catalytic surface radical in dye-decolorizing peroxidase: a computational, spectroscopic and site-directed mutagenesis study.
Biochem.J., 466, 2015
5N19
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BU of 5n19 by Molmil
Structure of SARS coronavirus main protease in complex with the alpha-ketoamide (S)-N-benzyl-3-((S)-2-cinnamamido-3-phenylpropanamido)-2-oxo-4-((S)-2-oxopyrrolidin-3-yl)butanamide
Descriptor: (S)-N-benzyl-3-((S)-2-cinnamamido-3-phenylpropanamido)-2-oxo-4-((S)-2-oxopyrrolidin-3-yl)butanamide, DIMETHYL SULFOXIDE, SARS coronavirus main protease
Authors:Zhang, L, Ma, Q, Hilgenfeld, R.
Deposit date:2017-02-05
Release date:2018-02-28
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Alpha-ketoamides as broad-spectrum inhibitors of coronavirus and enterovirus replication
To Be Published
4W7O
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BU of 4w7o by Molmil
CRYSTAL STRUCTURE OF A DECOLORIZING PEROXIDASE (DYP) FROM AURICULARIA AURICULA-JUDAE. G169L, Y147S AND W377S TRIPLE MUTANT
Descriptor: Dye-decolorizing peroxidase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Medrano, F.J, Romero, A.
Deposit date:2014-08-22
Release date:2015-03-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Catalytic surface radical in dye-decolorizing peroxidase: a computational, spectroscopic and site-directed mutagenesis study.
Biochem.J., 466, 2015
4W7N
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BU of 4w7n by Molmil
CRYSTAL STRUCTURE OF A DECOLORIZING PEROXIDASE (DYP) FROM AURICULARIA AURICULA-JUDAE. Y147S AND W377S DOUBLE MUTANT
Descriptor: Dye-decolorizing peroxidase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Medrano, F.J, Romero, A.
Deposit date:2014-08-22
Release date:2015-03-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.401 Å)
Cite:Catalytic surface radical in dye-decolorizing peroxidase: a computational, spectroscopic and site-directed mutagenesis study.
Biochem.J., 466, 2015
4W7L
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BU of 4w7l by Molmil
CRYSTAL STRUCTURE OF A DECOLORIZING PEROXIDASE (DYP) FROM AURICULARIA AURICULA-JUDAE. D168N MUTANT
Descriptor: Dye-decolorizing peroxidase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Medrano, F.J, Romero, A.
Deposit date:2014-08-22
Release date:2015-03-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Catalytic surface radical in dye-decolorizing peroxidase: a computational, spectroscopic and site-directed mutagenesis study.
Biochem.J., 466, 2015
5NFS
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BU of 5nfs by Molmil
Structure of coxsackievirus B3 3C protease in complex with the alpha-ketoamide (S)-N-benzyl-3-((S)-2-cinnamamido-3-phenylpropanamido)-2-oxo-4-((S)-2-oxopyrrolidin-3-yl)butanamide (cinnamoyl-phenylalanine-GlnLactam-CO-CO-NH-benzyl)
Descriptor: (S)-N-benzyl-3-((S)-2-cinnamamido-3-phenylpropanamido)-2-oxo-4-((S)-2-oxopyrrolidin-3-yl)butanamide, Genome polyprotein
Authors:Ma, Q, Zhang, L, Hilgenfeld, R.
Deposit date:2017-03-15
Release date:2018-05-16
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Alpha-ketoamides as broad-spectrum inhibitors of coronavirus and enterovirus replication
To Be Published
7ZBP
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BU of 7zbp by Molmil
Unspecific peroxygenase from Marasmius rotula
Descriptor: ACETATE ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Santillana, E, Romero, A.
Deposit date:2022-03-24
Release date:2022-05-18
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structural Characterization of Two Short Unspecific Peroxygenases: Two Different Dimeric Arrangements.
Antioxidants, 11, 2022
7ZCL
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BU of 7zcl by Molmil
Unspecific peroxygenase from Collariella virescens
Descriptor: Collariella virescens UPO, HEME C, MAGNESIUM ION
Authors:Santillana, E, Romero, A.
Deposit date:2022-03-28
Release date:2022-05-18
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural Characterization of Two Short Unspecific Peroxygenases: Two Different Dimeric Arrangements.
Antioxidants, 11, 2022
5IKG
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BU of 5ikg by Molmil
Asymmetric sulfoxidation by engineering the heme pocket of a dye-decolorizing peroxidase
Descriptor: Dye-decolorizing peroxidase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Romero, A, Davo-Siguero, I, Martinez, A.T.
Deposit date:2016-03-03
Release date:2016-07-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Asymmetric sulfoxidation by engineering the heme pocket of a dye-decolorizing peroxidase
Catalysis Science And Technology, 6, 2016
4W7M
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BU of 4w7m by Molmil
CRYSTAL STRUCTURE OF A DECOLORIZING PEROXIDASE (DYP) FROM AURICULARIA AURICULA-JUDAE. W377S MUTANT
Descriptor: Dye-decolorizing peroxidase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Medrano, F.J, Romero, A.
Deposit date:2014-08-22
Release date:2015-03-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Catalytic surface radical in dye-decolorizing peroxidase: a computational, spectroscopic and site-directed mutagenesis study.
Biochem.J., 466, 2015
4W7K
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BU of 4w7k by Molmil
CRYSTAL STRUCTURE OF A DECOLORIZING PEROXIDASE (DYP) FROM AURICULARIA AURICULA-JUDAE. Y147S MUTANT
Descriptor: Dye-decolorizing peroxidase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Medrano, F.J, Romero, A.
Deposit date:2014-08-22
Release date:2015-03-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Catalytic surface radical in dye-decolorizing peroxidase: a computational, spectroscopic and site-directed mutagenesis study.
Biochem.J., 466, 2015
5IKD
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BU of 5ikd by Molmil
Asymmetric sulfoxidation by engineering the heme pocket of a dye-decolorizing peroxidase
Descriptor: Dye-decolorizing peroxidase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Romero, A, Davo-Siguero, I, Martinez, A.T.
Deposit date:2016-03-03
Release date:2016-07-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.109 Å)
Cite:Asymmetric sulfoxidation by engineering the heme pocket of a dye-decolorizing peroxidase
Catalysis Science And Technology, 2016
5I26
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BU of 5i26 by Molmil
Azurin T30R1, crystal form I
Descriptor: Azurin, COPPER (II) ION
Authors:Hagelueken, G.
Deposit date:2016-02-08
Release date:2016-04-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.888 Å)
Cite:Determination of nitroxide spin label conformations via PELDOR and X-ray crystallography.
Phys Chem Chem Phys, 18, 2016

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