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6O9O
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BU of 6o9o by Molmil
Crystal Structure of SMYD3 with Potent and Selective Isoxazole Amide Inhibitor 1
Descriptor: 5-cyclopropyl-N-{1-[({trans-4-[(4,4,4-trifluorobutyl)amino]cyclohexyl}methyl)sulfonyl]piperidin-4-yl}-1,2-oxazole-3-carboxamide, GLYCEROL, Histone-lysine N-methyltransferase SMYD3, ...
Authors:Elkins, P.A, Wang, L.
Deposit date:2019-03-14
Release date:2020-03-18
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.586 Å)
Cite:Discovery of Isoxazole Amides as Potent and Selective SMYD3 Inhibitors
To be published
6NWB
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BU of 6nwb by Molmil
PYL10 bound to the selective agonist hexabactin
Descriptor: Abscisic acid receptor PYL10, N-{[(4-cyanophenyl)methyl]sulfonyl}-1-(thiophen-3-yl)cyclohexane-1-carboxamide
Authors:Peterson, F.C, Vaidya, A, Jensen, D.R, Volkman, B.F, Cutler, S.R.
Deposit date:2019-02-06
Release date:2020-02-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.003 Å)
Cite:PYL10 bound to the selective agonist hexabactin
To Be Published
6NR1
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BU of 6nr1 by Molmil
The X-ray crystal structure of Streptococcus pneumoniae Fatty Acid Kinase (Fak) B2 protein loaded with Vaccenic acid (C18:1 delta11) to 2.1 Angstrom resolution
Descriptor: Fatty Acid Kinase (Fak) B2 protein (SPR1019), GLYCEROL, VACCENIC ACID
Authors:Cuypers, M.G, Gullett, J.M, Subramanian, C, White, S.W, Rock, C.O.
Deposit date:2019-01-22
Release date:2019-08-21
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The X-ray crystal structure of Streptococcus pneumoniae Fatty Acid Kinase (Fak) B2 protein loaded with Vaccenic acid (C18:1 delta11) to 2.1 Angstrom resolution
To Be Published
3FU7
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BU of 3fu7 by Molmil
Melanocarpus albomyces laccase crystal soaked (4 sec) with 2,6-dimethoxyphenol
Descriptor: 2,6-dimethoxycyclohexa-2,5-diene-1,4-dione, 2,6-dimethoxyphenol, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Kallio, J.P, Hakulinen, N, Rouvinen, J.
Deposit date:2009-01-14
Release date:2009-09-22
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Structure Function Studies of a Melanocarpus albomyces Laccase Suggest a Pathway for Oxidation of Phenolic Compounds.
J.Mol.Biol., 392, 2009
3GFR
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BU of 3gfr by Molmil
Structure of YhdA, D137L variant
Descriptor: FLAVIN MONONUCLEOTIDE, FMN-dependent NADPH-azoreductase
Authors:Staunig, N, Gruber, K.
Deposit date:2009-02-27
Release date:2009-09-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.403 Å)
Cite:A single intersubunit salt bridge affects oligomerization and catalytic activity in a bacterial quinone reductase
Febs J., 276, 2009
6PK8
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BU of 6pk8 by Molmil
Antibody scFv-M204 dimeric state
Descriptor: SULFATE ION, scFv-M204 antibody
Authors:Abskharon, R, Sawaya, M.R, Seidler, P.M, Cascio, D, Eisenberg, D.S.
Deposit date:2019-06-28
Release date:2020-06-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.91 Å)
Cite:Crystal structure of a conformational antibody that binds tau oligomers and inhibits pathological seeding by extracts from donors with Alzheimer's disease.
J.Biol.Chem., 295, 2020
3E4E
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BU of 3e4e by Molmil
Human cytochrome P450 2E1 in complex with the inhibitor 4-methylpyrazole
Descriptor: 4-methyl-1H-pyrazole, Cytochrome P450 2E1, PROTOPORPHYRIN IX CONTAINING FE
Authors:Meneely, K.M, Porubsky, P.R, Scott, E.E.
Deposit date:2008-08-11
Release date:2008-09-16
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structures of human cytochrome P450 2E1: insights into the binding of inhibitors and both small molecular weight and fatty acid substrates.
J.Biol.Chem., 283, 2008
6PPB
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BU of 6ppb by Molmil
Kaposi's sarcoma-associated herpesvirus (KSHV), C5 portal vertex structure
Descriptor: Capsid vertex component 1, Capsid vertex component 2, Large tegument protein deneddylase, ...
Authors:Gong, D, Dai, X, Jih, J, Liu, Y.T, Bi, G.Q, Sun, R, Zhou, Z.H.
Deposit date:2019-07-06
Release date:2019-09-11
Last modified:2019-11-27
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:DNA-Packing Portal and Capsid-Associated Tegument Complexes in the Tumor Herpesvirus KSHV.
Cell, 178, 2019
6PPH
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BU of 6pph by Molmil
Kaposi's sarcoma-associated herpesvirus (KSHV), C1 penton vertex register, CATC-binding structure
Descriptor: Capsid vertex component 1, Capsid vertex component 2, Large tegument protein deneddylase, ...
Authors:Gong, D, Dai, X, Jih, J, Liu, Y.T, Bi, G.Q, Sun, R, Zhou, Z.H.
Deposit date:2019-07-06
Release date:2019-09-11
Last modified:2019-11-27
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:DNA-Packing Portal and Capsid-Associated Tegument Complexes in the Tumor Herpesvirus KSHV.
Cell, 178, 2019
6PPI
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BU of 6ppi by Molmil
Kaposi's sarcoma-associated herpesvirus (KSHV), C12 portal dodecamer structure
Descriptor: Portal protein
Authors:Gong, D, Dai, X, Jih, J, Liu, Y.T, Bi, G.Q, Sun, R, Zhou, Z.H.
Deposit date:2019-07-07
Release date:2019-09-11
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (4.7 Å)
Cite:DNA-Packing Portal and Capsid-Associated Tegument Complexes in the Tumor Herpesvirus KSHV.
Cell, 178, 2019
6PPD
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BU of 6ppd by Molmil
Kaposi's sarcoma-associated herpesvirus (KSHV), C1 penton vertex register, CATC-absent structure
Descriptor: Major capsid protein, Small capsomere-interacting protein, Triplex capsid protein 1, ...
Authors:Gong, D, Dai, X, Jih, J, Liu, Y.T, Bi, G.Q, Sun, R, Zhou, Z.H.
Deposit date:2019-07-06
Release date:2019-09-11
Last modified:2019-11-27
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:DNA-Packing Portal and Capsid-Associated Tegument Complexes in the Tumor Herpesvirus KSHV.
Cell, 178, 2019
6PSC
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BU of 6psc by Molmil
Antibody scFv-M204 trimeric state
Descriptor: scFv-M204 antibody
Authors:Abskharon, R, Sawaya, M.R, Seidler, P.M, Cascio, D, Eisenberg, D.S.
Deposit date:2019-07-12
Release date:2020-06-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Crystal structure of a conformational antibody that binds tau oligomers and inhibits pathological seeding by extracts from donors with Alzheimer's disease.
J.Biol.Chem., 295, 2020
3H4K
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BU of 3h4k by Molmil
Crystal structure of the wild type Thioredoxin glutatione reductase from Schistosoma mansoni in complex with auranofin
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, GLUTATHIONE, GOLD ION, ...
Authors:Angelucci, F, Dimastrogiovanni, D, Miele, A.E, Boumis, G, Brunori, M, Bellelli, A.
Deposit date:2009-04-20
Release date:2009-08-25
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Inhibition of Schistosoma mansoni thioredoxin-glutathione reductase by auranofin: structural and kinetic aspects.
J.Biol.Chem., 284, 2009
3GPH
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BU of 3gph by Molmil
Human cytochrome P450 2E1 in complex with omega-imidazolyl-decanoic acid
Descriptor: 10-(1H-imidazol-1-yl)decanoic acid, Cytochrome P450 2E1, PROTOPORPHYRIN IX CONTAINING FE
Authors:Porubsky, P.R, Battaile, K.P, Scott, E.E.
Deposit date:2009-03-23
Release date:2010-05-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Human cytochrome P450 2E1 structures with fatty acid analogs reveal a previously unobserved binding mode.
J.Biol.Chem., 285, 2010
3FF0
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BU of 3ff0 by Molmil
Crystal structure of a phenazine biosynthesis-related protein (phzb2) from pseudomonas aeruginosa at 1.90 A resolution
Descriptor: GLYCEROL, Phenazine biosynthesis protein phzB 2, UNKNOWN LIGAND
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2008-12-01
Release date:2008-12-16
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of protein PhzB2 with cystatin-like fold and unknown function in phenazine biosynthesis (NP_250591.1) from PSEUDOMONAS AERUGINOSA at 1.90 A resolution
To be published
3GUR
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BU of 3gur by Molmil
Crystal Structure of mu class glutathione S-transferase (GSTM2-2) in complex with glutathione and 6-(7-Nitro-2,1,3-benzoxadiazol-4-ylthio)hexanol (NBDHEX)
Descriptor: 1,2-ETHANEDIOL, GLUTATHIONE, Glutathione S-transferase Mu 2, ...
Authors:Federici, L, Lo Sterzo, C, Di Matteo, A, Scaloni, F, Federici, G, Caccuri, A.M.
Deposit date:2009-03-30
Release date:2009-10-27
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis for the binding of the anticancer compound 6-(7-nitro-2,1,3-benzoxadiazol-4-ylthio)hexanol to human glutathione s-transferases
Cancer Res., 69, 2009
3FYG
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BU of 3fyg by Molmil
CRYSTAL STRUCTURE OF TETRADECA-(3-FLUOROTYROSYL)-GLUTATHIONE S-TRANSFERASE
Descriptor: (9R,10R)-9-(S-GLUTATHIONYL)-10-HYDROXY-9,10-DIHYDROPHENANTHRENE, MU CLASS TETRADECA-(3-FLUOROTYROSYL)-GLUTATHIONE S-TRANSFERASE OF ISOENZYME
Authors:Xiao, G, Parsons, J.F, Armstrong, R.N, Gilliland, G.L.
Deposit date:1997-08-07
Release date:1999-06-01
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Conformational changes in the crystal structure of rat glutathione transferase M1-1 with global substitution of 3-fluorotyrosine for tyrosine.
J.Mol.Biol., 281, 1998
3GFS
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BU of 3gfs by Molmil
Structure of YhdA, K109D/D137K variant
Descriptor: FLAVIN MONONUCLEOTIDE, FMN-dependent NADPH-azoreductase
Authors:Staunig, N, Gruber, K.
Deposit date:2009-02-27
Release date:2009-09-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.105 Å)
Cite:A single intersubunit salt bridge affects oligomerization and catalytic activity in a bacterial quinone reductase
Febs J., 276, 2009
3GST
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BU of 3gst by Molmil
STRUCTURE OF THE XENOBIOTIC SUBSTRATE BINDING SITE OF A GLUTATHIONE S-TRANSFERASE AS REVEALED BY X-RAY CRYSTALLOGRAPHIC ANALYSIS OF PRODUCT COMPLEXES WITH THE DIASTEREOMERS OF 9-(S-GLUTATHIONYL)-10-HYDROXY-9, 10-DIHYDROPHENANTHRENE
Descriptor: (9R,10R)-9-(S-GLUTATHIONYL)-10-HYDROXY-9,10-DIHYDROPHENANTHRENE, GLUTATHIONE S-TRANSFERASE, SULFATE ION
Authors:Ji, X, Ammon, H.L, Armstrong, R.N, Gilliland, G.L.
Deposit date:1993-06-07
Release date:1993-10-31
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure and function of the xenobiotic substrate binding site of a glutathione S-transferase as revealed by X-ray crystallographic analysis of product complexes with the diastereomers of 9-(S-glutathionyl)-10-hydroxy-9,10-dihydrophenanthrene.
Biochemistry, 33, 1994
3GWR
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BU of 3gwr by Molmil
Crystal structure of Putative calcium/calmodulin-dependent protein kinase type II association domain (YP_315894.1) from THIOBACILLUS DENITRIFICANS ATCC 25259 at 2.00 A resolution
Descriptor: Putative calcium/calmodulin-dependent protein kinase type II association domain, TETRAETHYLENE GLYCOL, UNKNOWN LIGAND
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2009-04-01
Release date:2009-04-14
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Crystal structure of Putative calcium/calmodulin-dependent protein kinase type II association domain (YP_315894.1) from THIOBACILLUS DENITRIFICANS ATCC 25259 at 2.00 A resolution
To be published
3H6K
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BU of 3h6k by Molmil
Crystal Structure of Human 11-beta-hydroxysteroid-dehydrogenase Bound to an Ortho-chlro-sulfonyl-piperazine Inhibitor
Descriptor: 3-chloro-4-({(2R)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methylpiperazin-1-yl}sulfonyl)benzamide, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Bard, J, Svenson, K.
Deposit date:2009-04-23
Release date:2009-12-01
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.187 Å)
Cite:Efficacious 11beta-hydroxysteroid dehydrogenase type I inhibitors in the diet-induced obesity mouse model.
J.Med.Chem., 52, 2009
3GTU
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BU of 3gtu by Molmil
LIGAND-FREE HETERODIMERIC HUMAN GLUTATHIONE S-TRANSFERASE M2-3 (EC 2.5.1.18), MONOCLINIC CRYSTAL FORM
Descriptor: GLUTATHIONE S-TRANSFERASE
Authors:Patskovsky, Y.V, Patskovska, L.N, Listowsky, I.
Deposit date:1998-07-29
Release date:1999-07-29
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:An asparagine-phenylalanine substitution accounts for catalytic differences between hGSTM3-3 and other human class mu glutathione S-transferases.
Biochemistry, 38, 1999
3E6I
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BU of 3e6i by Molmil
Human cytochrome P450 2E1 in complex with the inhibitor indazole
Descriptor: 1H-indazole, Cytochrome P450 2E1, PROTOPORPHYRIN IX CONTAINING FE
Authors:Porubsky, P.R, Meneely, K.M, Scott, E.E.
Deposit date:2008-08-15
Release date:2008-09-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structures of human cytochrome P450 2E1: insights into the binding of inhibitors and both small molecular weight and fatty acid substrates.
J.Biol.Chem., 283, 2008
3HIG
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BU of 3hig by Molmil
Crystal structure of human diamine oxidase in complex with the inhibitor berenil
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Amiloride-sensitive amine oxidase, BERENIL, ...
Authors:McGrath, A.P, Guss, J.M.
Deposit date:2009-05-19
Release date:2009-10-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Structure and inhibition of human diamine oxidase
Biochemistry, 48, 2009
3HFG
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BU of 3hfg by Molmil
Crystal Structure of Human 11-beta-hydroxysteroid-dehydrogenase Bound to an Sulfonyl-piperazine Inhibitor
Descriptor: (2R)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methyl-1-{[3-(1H-1,2,4-triazol-1-yl)phenyl]sulfonyl}piperazine, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Bard, J, Svenson, K.
Deposit date:2009-05-11
Release date:2009-09-29
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Efficacious 11beta-hydroxysteroid dehydrogenase type I inhibitors in the diet-induced obesity mouse model.
J.Med.Chem., 52, 2009

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數據於2024-10-16公開中

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