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1PTH
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The Structural Basis of Aspirin Activity Inferred from the Crystal Structure of Inactivated Prostaglandin H2 Synthase
分子名称: 2-HYDROXYBENZOIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Loll, P.J, Picot, D, Garavito, R.M.
登録日1995-04-11
公開日1996-04-11
最終更新日2025-03-26
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献The structural basis of aspirin activity inferred from the crystal structure of inactivated prostaglandin H2 synthase.
Nat.Struct.Biol., 2, 1995
4M10
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BU of 4m10 by Molmil
Crystal Structure of Murine Cyclooxygenase-2 Complex with Isoxicam
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, 4-hydroxy-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2H-1,2-benzothiazine-3-carboxamide 1,1-dioxide, ...
著者Xu, S, Hermanson, D.J, Banerjee, S, Ghebreelasie, K, Marnett, L.J.
登録日2013-08-02
公開日2014-01-22
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Oxicams Bind in a Novel Mode to the Cyclooxygenase Active Site via a Two-water-mediated H-bonding Network.
J.Biol.Chem., 289, 2014
2GB8
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Solution structure of the complex between yeast iso-1-cytochrome c and yeast cytochrome c peroxidase
分子名称: Cytochrome c iso-1, Cytochrome c peroxidase, HEME C, ...
著者Volkov, A.N, Worrall, J.A.R, Ubbink, M.
登録日2006-03-10
公開日2006-11-21
最終更新日2024-10-09
実験手法SOLUTION NMR
主引用文献Solution structure and dynamics of the complex between cytochrome c and cytochrome c peroxidase determined by paramagnetic NMR.
Proc.Natl.Acad.Sci.Usa, 103, 2006
4BO6
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BU of 4bo6 by Molmil
Crystal structure of 3-oxoacyl-(acyl-carrier-protein) reductase (FabG) from Pseudomonas aeruginosa in complex with 2,3-dihydroindol-1-yl-(2- thiophen-3-yl-1,3-thiazol-4-yl)methanone at 2.8A resolution
分子名称: 2,3-dihydroindol-1-yl-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone, 3-OXOACYL-[ACYL-CARRIER-PROTEIN] REDUCTASE FABG
著者Cukier, C.D, Schnell, R, Lindqvist, Y, Schneider, G.
登録日2013-05-18
公開日2013-09-18
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Discovery of an Allosteric Inhibitor Binding Site in 3-Oxo-Acyl-Acp Reductase from Pseudomonas Aeruginosa
Acs Chem.Biol., 8, 2013
1S3V
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Structure Determination of Tetrahydroquinazoline Antifolates in Complex with Human and Pneumocystis carinii Dihydrofolate Reductase: Correlations of Enzyme Selectivity and Stereochemistry
分子名称: (2R,6S)-6-{[methyl(3,4,5-trimethoxyphenyl)amino]methyl}-1,2,5,6,7,8-hexahydroquinazoline-2,4-diamine, Dihydrofolate reductase, SULFATE ION
著者Cody, V, Luft, J.R, Pangborn, W, Gangjee, A, Queener, S.F.
登録日2004-01-14
公開日2004-03-30
最終更新日2024-12-25
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure determination of tetrahydroquinazoline antifolates in complex with human and Pneumocystis carinii dihydrofolate reductase: correlations between enzyme selectivity and stereochemistry.
Acta Crystallogr.,Sect.D, 60, 2004
1RY0
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Structure of prostaglandin F synthase with prostaglandin D2
分子名称: Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PROSTAGLANDIN D2
著者Komoto, J, Yamada, T, Watanabe, K, Takusagawa, F.
登録日2003-12-19
公開日2004-11-02
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Crystal structure of human prostaglandin F synthase (AKR1C3).
Biochemistry, 43, 2004
1J0E
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ACC deaminase mutant reacton intermediate
分子名称: 1-AMINOCYCLOPROPANECARBOXYLIC ACID, 1-aminocyclopropane-1-carboxylate deaminase
著者Ose, T, Fujino, A, Yao, M, Honma, M, Tanaka, I.
登録日2002-11-12
公開日2003-05-12
最終更新日2024-12-25
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Reaction intermediate structures of 1-aminocyclopropane-1-carboxylate deaminase: insight into PLP-dependent cyclopropane ring-opening reaction
J.BIOL.CHEM., 278, 2003
1T24
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BU of 1t24 by Molmil
Plasmodium falciparum lactate dehydrogenase complexed with NAD+ and 4-hydroxy-1,2,5-oxadiazole-3-carboxylic acid
分子名称: 4-HYDROXY-1,2,5-OXADIAZOLE-3-CARBOXYLIC ACID, GLYCEROL, L-lactate dehydrogenase, ...
著者Cameron, A, Read, J, Tranter, R, Winter, V.J, Sessions, R.B, Brady, R.L, Vivas, L, Easton, A, Kendrick, H, Croft, S.L, Barros, D, Lavandera, J.L, Martin, J.J, Risco, F, Garcia-Ochoa, S, Gamo, F.J, Sanz, L, Leon, L, Ruiz, J.R, Gabarro, R, Mallo, A, De Las Heras, F.G.
登録日2004-04-20
公開日2004-05-11
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Identification and Activity of a Series of Azole-based Compounds with Lactate Dehydrogenase-directed Anti-malarial Activity.
J.Biol.Chem., 279, 2004
1B15
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ALCOHOL DEHYDROGENASE FROM DROSOPHILA LEBANONENSIS TERNARY COMPLEX WITH NAD-ACETONE
分子名称: ALCOHOL DEHYDROGENASE, NICOTINAMIDE ADENINE DINUCLEOTIDE ACETONE ADDUCT
著者Benach, J, Atrian, S, Gonzalez-Duarte, R, Ladenstein, R.
登録日1998-11-25
公開日1999-11-26
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The catalytic reaction and inhibition mechanism of Drosophila alcohol dehydrogenase: observation of an enzyme-bound NAD-ketone adduct at 1.4 A resolution by X-ray crystallography.
J.Mol.Biol., 289, 1999
1T2C
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BU of 1t2c by Molmil
Plasmodium falciparum lactate dehydrogenase complexed with NADH
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, GLYCEROL, L-lactate dehydrogenase
著者Cameron, A, Read, J, Tranter, R, Winter, V.J, Sessions, R.B, Brady, R.L, Vivas, L, Easton, A, Kendrick, H, Croft, S.L, Barros, D, Lavandera, J.L, Martin, J.J, Risco, F, Garcia-Ochoa, S, Gamo, F.J, Sanz, L, Leon, L, Ruiz, J.R, Gabarro, R, Mallo, A, De Las Heras, F.G.
登録日2004-04-21
公開日2004-05-11
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Identification and Activity of a Series of Azole-based Compounds with Lactate Dehydrogenase-directed Anti-malarial Activity.
J.Biol.Chem., 279, 2004
1T25
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BU of 1t25 by Molmil
Plasmodium falciparum lactate dehydrogenase complexed with NADH and 3-hydroxyisoxazole-4-carboxylic acid
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 3-HYDROXYISOXAZOLE-4-CARBOXYLIC ACID, GLYCEROL, ...
著者Cameron, A, Read, J, Tranter, R, Winter, V.J, Sessions, R.B, Brady, R.L, Vivas, L, Easton, A, Kendrick, H, Croft, S.L, Barros, D, Lavandera, J.L, Martin, J.J, Risco, F, Garcia-Ochoa, S, Gamo, F.J, Sanz, L, Leon, L, Ruiz, J.R, Gabarro, R, Mallo, A, De Las Heras, F.G.
登録日2004-04-20
公開日2004-05-11
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Identification and Activity of a Series of Azole-based Compounds with Lactate Dehydrogenase-directed Anti-malarial Activity.
J.Biol.Chem., 279, 2004
4R0L
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BU of 4r0l by Molmil
Anti-canine CD28 antibody, 1C6, bound canine CD28
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Gewe, M.M, Strong, R.K.
登録日2014-07-31
公開日2015-07-08
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Anti-CD28 Antibody-Initiated Cytokine Storm in Canines.
Transplant Direct, 1, 2015
4AJ1
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rat LDHA in complex with N-(2-(methylamino)-1,3-benzothiazol-6-yl) acetamide
分子名称: GLYCEROL, L-LACTATE DEHYDROGENASE A CHAIN, MALONATE ION, ...
著者Tucker, J.A, Brassington, C, Hassall, G, Vogtherr, M, Ward, R, Tart, J, Davies, G.
登録日2012-02-15
公開日2012-03-21
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献The Design and Synthesis of Novel Lactate Dehydrogenase a Inhibitors by Fragment-Based Lead Generation
J.Med.Chem., 55, 2012
4A6O
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CpGH89CBM32-4, produced by Clostridium perfringens, in complex with glcNAc-alpha-1,4-galactose
分子名称: 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-beta-D-galactopyranose, ALPHA-N-ACETYLGLUCOSAMINIDASE FAMILY PROTEIN, CALCIUM ION
著者Ficko-Blean, E, Stuart, C.P, Suits, M.D, Cid, M, Tessier, M, Woods, R.J, Boraston, A.B.
登録日2011-11-07
公開日2012-04-04
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Carbohydrate Recognition by an Architecturally Complex Alpha-N-Acetylglucosaminidase from Clostridium Perfringens.
Plos One, 7, 2012
4A7G
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Structure of human I113T SOD1 mutant complexed with 4-methylpiperazin- 1-yl)quinazoline in the p21 space group.
分子名称: 4-(4-METHYLPIPERAZIN-1-YL)QUINAZOLINE, ACETATE ION, COPPER (II) ION, ...
著者Wright, G.S.A, Kershaw, N.M, Sharma, R, Antonyuk, S.V, Strange, R.W, Berry, N.G, O'Neil, P.M, Hasnain, S.S.
登録日2011-11-14
公開日2012-10-24
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献X-ray crystallography and computational docking for the detection and development of protein-ligand interactions.
Curr.Med.Chem., 20, 2013
2EHQ
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Crystal analysis of 1-pyrroline-5-carboxylate dehydrogenase from thermus with bound NADP
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1-pyrroline-5-carboxylate dehydrogenase, ACETATE ION, ...
著者Inagaki, E, Sakamoto, K, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2007-03-07
公開日2007-05-01
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献New insights into the binding mode of coenzymes: structure of Thermus thermophilus Delta1-pyrroline-5-carboxylate dehydrogenase complexed with NADP+.
Acta Crystallogr.,Sect.F, 63, 2007
1K5P
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Hydrolytic haloalkane dehalogenase LINB from sphingomonas paucimobilis UT26 at 1.8A resolution
分子名称: 1,3,4,6-tetrachloro-1,4-cyclohexadiene hydrolase, CHLORIDE ION, MAGNESIUM ION
著者Streltsov, V.A, Damborsky, J, Wilce, M.C.J.
登録日2001-10-12
公開日2003-08-26
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Haloalkane dehalogenase LinB from Sphingomonas paucimobilis UT26: X-ray crystallographic studies of dehalogenation of brominated substrates
Biochemistry, 42, 2003
2LPN
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Solution Structure of N-Terminal domain of human Conserved Dopamine Neurotrophic Factor (CDNF)
分子名称: Cerebral dopamine neurotrophic factor
著者Latge, C, Cabral, K.M.S, Foguel, D, Pires, J.R.M, Almeida, M.S.
登録日2012-02-15
公開日2013-02-20
最終更新日2024-10-30
実験手法SOLUTION NMR
主引用文献(1)H-, (13)C- and (15)N-NMR assignment of the N-terminal domain of human cerebral dopamine neurotrophic factor (CDNF).
Biomol.Nmr Assign., 7, 2013
2GMH
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BU of 2gmh by Molmil
Structure of Porcine Electron Transfer Flavoprotein-Ubiquinone Oxidoreductase in Complexed with Ubiquinone
分子名称: 1,2-ETHANEDIOL, 2,3-DIMETHOXY-5-METHYL-6-(3,11,15,19-TETRAMETHYL-EICOSA-2,6,10,14,18-PENTAENYL)-[1,4]BENZOQUINONE, Electron transfer flavoprotein-ubiquinone oxidoreductase, ...
著者Zhang, J, Frerman, F.E, Kim, J.-J.P.
登録日2006-04-06
公開日2006-10-17
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure of electron transfer flavoprotein-ubiquinone oxidoreductase and electron transfer to the mitochondrial ubiquinone pool.
Proc.Natl.Acad.Sci.Usa, 103, 2006
2MHZ
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Structure of Exocyclic S,S N6,N6-(2,3-Dihydroxy-1,4-butadiyl)-2'-Deoxyadenosine Adduct Induced by 1,2,3,4-Diepoxybutane in DNA
分子名称: 5'-D(*CP*GP*GP*AP*CP*(SDE)P*AP*GP*AP*AP*G)-3', 5'-D(*CP*TP*TP*CP*TP*TP*GP*TP*CP*CP*G)-3'
著者Kowal, E.A, Seneviratne, U, Wickramaratne, S, Doherty, K.E, Cao, X, Tretyakova, N, Stone, M.P.
登録日2013-12-05
公開日2014-05-28
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Structures of Exocyclic R,R- and S,S-N(6),N(6)-(2,3-Dihydroxybutan-1,4-diyl)-2'-Deoxyadenosine Adducts Induced by 1,2,3,4-Diepoxybutane.
Chem.Res.Toxicol., 27, 2014
2MHX
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Structure of Exocyclic R,R N6,N6-(2,3-Dihydroxy-1,4-butadiyl)-2'-Deoxyadenosine Adduct Induced by 1,2,3,4-Diepoxybutane in DNA
分子名称: 5'-D(*CP*GP*GP*AP*CP*(RBD)P*AP*GP*AP*AP*G)-3'), 5'-D(*CP*TP*TP*CP*TP*TP*GP*TP*CP*CP*G)-3')
著者Kowal, E.A, Seneviratne, U, Wickramaratne, S, Doherty, K.E, Cao, X, Tretyakova, N, Stone, M.P.
登録日2013-12-05
公開日2014-05-28
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Structures of Exocyclic R,R- and S,S-N(6),N(6)-(2,3-Dihydroxybutan-1,4-diyl)-2'-Deoxyadenosine Adducts Induced by 1,2,3,4-Diepoxybutane.
Chem.Res.Toxicol., 27, 2014
2D5C
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Crystal Structure of Shikimate 5-Dehydrogenase (AroE) from Thermus Thermophilus HB8 in complex with shikimate
分子名称: (3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-1-ENE-1-CARBOXYLIC ACID, SULFATE ION, shikimate 5-dehydrogenase
著者Bagautdinov, B, Kunishima, N, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2005-10-31
公開日2006-05-01
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Crystal Structures of Shikimate Dehydrogenase AroE from Thermus thermophilus HB8 and its Cofactor and Substrate Complexes: Insights into the Enzymatic Mechanism
J.Mol.Biol., 373, 2007
1YNU
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Crystal structure of apple ACC synthase in complex with L-vinylglycine
分子名称: 1-aminocyclopropane-1-carboxylate synthase, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[O-PHOSPHONOPYRIDOXYL]-AMINO- BUTYRIC ACID, ...
著者Capitani, G, Tschopp, M, Eliot, A.C, Kirsch, J.F, Grutter, M.G.
登録日2005-01-25
公開日2005-05-03
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structure of ACC synthase inactivated by the mechanism-based inhibitor L-vinylglycine.
Febs Lett., 579, 2005
2J6L
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Structure of aminoadipate-semialdehyde dehydrogenase
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ALDEHYDE DEHYDROGENASE FAMILY 7 MEMBER A1, BROMIDE ION, ...
著者Bunkoczi, G, Guo, K, Debreczeni, J.E, Smee, C, Arrowsmith, C, Edwards, A, Sundstrom, M, Weigelt, J, von Delft, F, Oppermann, U.
登録日2006-09-29
公開日2006-10-12
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Aldehyde Dehydrogenase 7A1 (Aldh7A1) is a Novel Enzyme Involved in Cellular Defense Against Hyperosmotic Stress.
J.Biol.Chem., 285, 2010
2DUX
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Crystal structure of human Aldose Reductase complexed with zopolrestat after 3 days soaking (3days_soaked_1)
分子名称: 3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Steuber, H, Heine, A, Klebe, G.
登録日2006-07-27
公開日2006-10-03
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Expect the Unexpected or Caveat for Drug Designers: Multiple Structure Determinations Using Aldose Reductase Crystals Treated under Varying Soaking and Co-crystallisation Conditions
J.Mol.Biol., 363, 2006

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