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3ZDS
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Structure of homogentisate 1,2-dioxygenase in complex with reaction intermediates of homogentisate with oxygen.
分子名称: 2-(3,6-DIHYDROXYPHENYL)ACETIC ACID, 2-(6-oxidanyl-3-oxidanylidene-cyclohexa-1,4-dien-1-yl)ethanoic acid, 2-[(6R)-6-(dioxidanyl)-6-oxidanyl-3-oxidanylidene-cyclohexa-1,4-dien-1-yl]ethanoic acid, ...
著者Jeoung, J.-H, Bommer, M, Lin, T.-Y, Dobbek, H.
登録日2012-11-30
公開日2013-07-24
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Visualizing the Substrate-, Superoxo-, Alkylperoxo- and Product-Bound States at the Non-Heme Fe(II) Site of Homogentisate Dioxygenase
Proc.Natl.Acad.Sci.USA, 110, 2013
1BWC
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STRUCTURE OF HUMAN GLUTATHIONE REDUCTASE COMPLEXED with AJOENE INHIBITOR AND SUBVERSIVE SUBSTRATE
分子名称: 3-(PROP-2-ENE-1-SULFINYL)-PROPENE-1-THIOL, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Gallwitz, H, Bonse, S, Martinez-Cruz, A, Schlichting, I, Schumacher, K, Krauth-Siegel, R.L.
登録日1998-09-23
公開日1999-07-20
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Ajoene is an inhibitor and subversive substrate of human glutathione reductase and Trypanosoma cruzi trypanothione reductase: crystallographic, kinetic, and spectroscopic studies.
J.Med.Chem., 42, 1999
2PHD
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Crystal Structure Determination of a Salicylate 1,2-Dioxygenase from Pseudaminobacter salicylatoxidans
分子名称: ACETATE ION, CHLORIDE ION, FE (III) ION, ...
著者Matera, I, Ferraroni, M, Briganti, F.
登録日2007-04-11
公開日2008-04-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystal Structure Determination of a Salicylate 1,2-Dioxygenase from Pseudaminobacter salicylatoxidans
To be Published
4G7G
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Sterol 14-alpha demethylase (CYP51) from Trypanosoma brucei in complex with the VNI derivative (R)-N-(1-(3,4'-difluorobiphenyl-4-yl)-2-(1H-imidazol-1-yl)ethyl)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide [VNI/VNF (VFV)]
分子名称: N-[(1R)-1-(3,4'-difluorobiphenyl-4-yl)-2-(1H-imidazol-1-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide, PROTOPORPHYRIN IX CONTAINING FE, sterol 14-alpha-demethylase
著者Hargrove, T.Y, Wawrzak, Z, Waterman, M.R, Lepesheva, G.I.
登録日2012-07-20
公開日2013-07-24
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献VFV as a New Effective CYP51 Structure-Derived Drug Candidate for Chagas Disease and Visceral Leishmaniasis.
J Infect Dis, 212, 2015
4G3J
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Sterol 14-alpha demethylase (CYP51) from Trypanosoma brucei in complex with the VNI derivative (R)-N-(1-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethyl)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide [R-VNI-triazole (VNT)]
分子名称: N-[(1R)-1-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide, PROTOPORPHYRIN IX CONTAINING FE, sterol 14-alpha-demethylase
著者Hargrove, T.Y, Wawrzak, Z, Waterman, M.R, Lepesheva, G.I.
登録日2012-07-14
公開日2013-07-17
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献VFV as a New Effective CYP51 Structure-Derived Drug Candidate for Chagas Disease and Visceral Leishmaniasis.
J Infect Dis, 212, 2015
1GQG
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Quercetin 2,3-dioxygenase in complex with the inhibitor diethyldithiocarbamate
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, COPPER (II) ION, ...
著者Steiner, R.A, Dijkstra, B.W.
登録日2001-11-23
公開日2002-06-21
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Functional Analysis of the Copper-Dependent Quercetin 2,3-Dioxygenase.1.Ligand-Induced Coordination Changes Probed by X-Ray Crystallography: Inhibition, Ordering Effect and Mechanistic Insights
Biochemistry, 41, 2002
3X1B
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BU of 3x1b by Molmil
Crystal structure of laccase from Lentinus sp. at 1.8 A resolution
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, COPPER (II) ION, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Jeng, W.Y, Shyur, L.F, Wang, A.H.J.
登録日2014-10-31
公開日2014-12-10
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of laccase from Lentinus sp. at 1.8 A resolution
To be Published
1GRH
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INHIBITION OF HUMAN GLUTATHIONE REDUCTASE BY THE NITROSOUREA DRUGS 1,3-BIS(2-CHLOROETHYL)-1-NITROSOUREA AND 1-(2-CHLOROETHYL)-3-(2-HYDROXYETHYL)-1-NITROSOUREA
分子名称: ETHANOL, FLAVIN-ADENINE DINUCLEOTIDE, GLUTATHIONE REDUCTASE, ...
著者Karplus, P.A, Schulz, G.E.
登録日1992-12-15
公開日1994-01-31
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Inhibition of human glutathione reductase by the nitrosourea drugs 1,3-bis(2-chloroethyl)-1-nitrosourea and 1-(2-chloroethyl)-3-(2-hydroxyethyl)-1-nitrosourea. A crystallographic analysis.
Eur.J.Biochem., 171, 1988
1DD7
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MURINE INDUCIBLE NITRIC OXIDE SYNTHASE OXYGENASE DOMAIN (DELTA 114) (N-[(1,3-BENZODIOXOL-5-YL)METHYL]-1-[2-(1H-IMIDAZOL-1-YL)PYRIMIDIN-4-YL]-4-(METHOXYCARBONYL)-PIPERAZINE-2-ACETAMIDE COMPLEX
分子名称: INDUCIBLE NITRIC OXIDE SYNTHASE, PROTOPORPHYRIN IX CONTAINING FE, SULFITE ION, ...
著者Adler, M, Whitlow, M.
登録日1999-11-08
公開日2000-03-29
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Allosteric inhibitors of inducible nitric oxide synthase dimerization discovered via combinatorial chemistry.
Proc.Natl.Acad.Sci.USA, 97, 2000
3FPX
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BU of 3fpx by Molmil
Native fungus laccase from Trametes hirsuta
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, COPPER (II) ION, ...
著者Polyakov, K.M, Fedorova, T.V, Stepanova, E.V, Cherkashin, E.A, Kurzeev, S.A, Strokopytov, B.V, Lamzin, V.S, Koroleva, O.V.
登録日2009-01-06
公開日2009-01-27
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure of native laccase from Coriolus hirsutus at 1.8 A resolution
To be Published
1GQH
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Quercetin 2,3-dioxygenase in complex with the inhibitor kojic acid
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5-HYDROXY-2-(HYDROXYMETHYL)-4H-PYRAN-4-ONE, ...
著者Steiner, R.A, Dijkstra, B.W.
登録日2001-11-23
公開日2002-06-21
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Functional Analysis of the Copper-Dependent Quercetin 2,3-Dioxygenase.1.Ligand-Induced Coordination Changes Probed by X-Ray Crystallography: Inhibition, Ordering Effect and Mechanistic Insights
Biochemistry, 41, 2002
2LQO
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Mrx1 reduced
分子名称: Putative glutaredoxin Rv3198.1/MT3292
著者Buts, L, Van Laer, K, Messens, J.
登録日2012-03-10
公開日2012-10-03
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Mycoredoxin-1 is one of the missing links in the oxidative stress defence mechanism of Mycobacteria.
Mol.Microbiol., 86, 2012
2LQQ
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Oxidized Mrx1
分子名称: Putative glutaredoxin Rv3198.1/MT3292
著者Buts, L, Van Laer, K, Messens, J.
登録日2012-03-11
公開日2012-10-10
最終更新日2024-11-20
実験手法SOLUTION NMR
主引用文献Mycoredoxin-1 is one of the missing links in the oxidative stress defence mechanism of Mycobacteria.
Mol.Microbiol., 86, 2012
2C10
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BU of 2c10 by Molmil
The structure of a truncated, soluble version of semicarbazide- sensitive amine oxidase
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Jakobsson, E, Kleywegt, G.J.
登録日2005-09-09
公開日2006-09-20
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure of human semicarbazide-sensitive amine oxidase/vascular adhesion protein-1.
Acta Crystallogr. D Biol. Crystallogr., 61, 2005
2C11
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Crystal structure of the 2-hydrazinopyridine of semicarbazide- sensitive amine oxidase
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Jakobsson, E, Kleywegt, G.J.
登録日2005-09-09
公開日2006-09-20
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structure of human semicarbazide-sensitive amine oxidase/vascular adhesion protein-1.
Acta Crystallogr. D Biol. Crystallogr., 61, 2005
6ZTV
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Crystal Structure of catalase HPII from Escherichia coli (serendipitously crystallized)
分子名称: 1,2-ETHANEDIOL, CIS-HEME D HYDROXYCHLORIN GAMMA-SPIROLACTONE, Catalase HPII, ...
著者Grzechowiak, M, Sekula, B, Ruszkowski, M.
登録日2020-07-20
公開日2020-10-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Serendipitous crystallization of E. coli HPII catalase, a sequel to "the tale usually not told".
Acta Biochim.Pol., 68, 2021
6ZNY
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1.50 A resolution 3-methylcatechol (3-methylbenzene-1,2-diol) inhibited Sporosarcina pasteurii urease
分子名称: 1,2-ETHANEDIOL, HYDROXIDE ION, NICKEL (II) ION, ...
著者Mazzei, L, Cianci, M, Musiani, F, Ciurli, S.
登録日2020-07-07
公開日2020-12-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Inhibition of Urease, a Ni-Enzyme: The Reactivity of a Key Thiol With Mono- and Di-Substituted Catechols Elucidated by Kinetic, Structural, and Theoretical Studies.
Angew.Chem.Int.Ed.Engl., 60, 2021
6ZO2
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1.65 A resolution 4,5-dimethylcatechol (4,5-dimethylbenzene-1,2-diol) inhibited Sporosarcina pasteurii urease
分子名称: 1,2-ETHANEDIOL, HYDROXIDE ION, NICKEL (II) ION, ...
著者Mazzei, L, Cianci, M, Musiani, F, Ciurli, S.
登録日2020-07-07
公開日2020-12-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Inhibition of Urease, a Ni-Enzyme: The Reactivity of a Key Thiol With Mono- and Di-Substituted Catechols Elucidated by Kinetic, Structural, and Theoretical Studies.
Angew.Chem.Int.Ed.Engl., 60, 2021
6ZNZ
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1.89 A resolution 4-methylcatechol (4-methylbenzene-1,2-diol) inhibited Sporosarcina pasteurii urease
分子名称: 1,2-ETHANEDIOL, HYDROXIDE ION, NICKEL (II) ION, ...
著者Mazzei, L, Cianci, M, Musiani, F, Ciurli, S.
登録日2020-07-07
公開日2020-12-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Inhibition of Urease, a Ni-Enzyme: The Reactivity of a Key Thiol With Mono- and Di-Substituted Catechols Elucidated by Kinetic, Structural, and Theoretical Studies.
Angew.Chem.Int.Ed.Engl., 60, 2021
6ZO3
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1.55 A resolution 3,6-dimethylcatechol (3,6-dimethylbenzene-1,2-diol) inhibited Sporosarcina pasteurii urease
分子名称: 1,2-ETHANEDIOL, HYDROXIDE ION, NICKEL (II) ION, ...
著者Mazzei, L, Cianci, M, Musiani, F, Ciurli, S.
登録日2020-07-07
公開日2020-12-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Inhibition of Urease, a Ni-Enzyme: The Reactivity of a Key Thiol With Mono- and Di-Substituted Catechols Elucidated by Kinetic, Structural, and Theoretical Studies.
Angew.Chem.Int.Ed.Engl., 60, 2021
3K1D
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BU of 3k1d by Molmil
Crystal structure of glycogen branching enzyme synonym: 1,4-alpha-D-glucan:1,4-alpha-D-GLUCAN 6-glucosyl-transferase from mycobacterium tuberculosis H37RV
分子名称: 1,4-alpha-glucan-branching enzyme
著者Pal, K, Kumar, S, Swaminathan, K.
登録日2009-09-27
公開日2010-05-05
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Crystal structure of full-length Mycobacterium tuberculosis H37Rv glycogen branching enzyme: insights of N-terminal beta-sandwich in substrate specificity and enzymatic activity
J.Biol.Chem., 285, 2010
5W4Q
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Structure of the R18A/E28A mutant of the HIV-1 capsid protein
分子名称: CHLORIDE ION, Capsid protein p24, IODIDE ION
著者Gres, A.T, Kirby, K.A, Sarafianos, S.G.
登録日2017-06-12
公開日2018-06-20
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.285 Å)
主引用文献Novel Intersubunit Interaction Critical for HIV-1 Core Assembly Defines a Potentially Targetable Inhibitor Binding Pocket.
MBio, 10, 2019
5W4P
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Structure of the E28A mutant of the HIV-1 capsid protein
分子名称: CHLORIDE ION, Capsid protein p24, IODIDE ION
著者Gres, A.T, Kirby, K.A, Sarafianos, S.G.
登録日2017-06-12
公開日2018-06-20
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Novel Intersubunit Interaction Critical for HIV-1 Core Assembly Defines a Potentially Targetable Inhibitor Binding Pocket.
MBio, 10, 2019
5VYL
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Crystal Structure of N-terminal half of Herpes Simplex virus Type 1 UL37 protein
分子名称: Inner tegument protein, SODIUM ION
著者Koenigsberg, A, Heldwein, E.E.
登録日2017-05-25
公開日2017-08-02
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.51 Å)
主引用文献Crystal Structure of the N-Terminal Half of the Traffic Controller UL37 from Herpes Simplex Virus 1.
J. Virol., 91, 2017
5W4O
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Structure of the R18A mutant of the HIV-1 capsid protein
分子名称: CHLORIDE ION, Capsid protein p24, IODIDE ION
著者Gres, A.T, Kirby, K.A, Sarafianos, S.G.
登録日2017-06-12
公開日2018-06-20
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.093 Å)
主引用文献Novel Intersubunit Interaction Critical for HIV-1 Core Assembly Defines a Potentially Targetable Inhibitor Binding Pocket.
MBio, 10, 2019

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