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1PTH
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BU of 1pth by Molmil
The Structural Basis of Aspirin Activity Inferred from the Crystal Structure of Inactivated Prostaglandin H2 Synthase
Descriptor: 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, ...
Authors:Loll, P.J, Picot, D, Garavito, R.M.
Deposit date:1995-04-11
Release date:1996-04-11
Last modified:2025-03-26
Method:X-RAY DIFFRACTION (3.4 Å)
Cite: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
Descriptor: 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, ...
Authors:Xu, S, Hermanson, D.J, Banerjee, S, Ghebreelasie, K, Marnett, L.J.
Deposit date:2013-08-02
Release date:2014-01-22
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.01 Å)
Cite: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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BU of 2gb8 by Molmil
Solution structure of the complex between yeast iso-1-cytochrome c and yeast cytochrome c peroxidase
Descriptor: Cytochrome c iso-1, Cytochrome c peroxidase, HEME C, ...
Authors:Volkov, A.N, Worrall, J.A.R, Ubbink, M.
Deposit date:2006-03-10
Release date:2006-11-21
Last modified:2024-10-09
Method:SOLUTION NMR
Cite: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
Descriptor: 2,3-dihydroindol-1-yl-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone, 3-OXOACYL-[ACYL-CARRIER-PROTEIN] REDUCTASE FABG
Authors:Cukier, C.D, Schnell, R, Lindqvist, Y, Schneider, G.
Deposit date:2013-05-18
Release date:2013-09-18
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite: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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BU of 1s3v by Molmil
Structure Determination of Tetrahydroquinazoline Antifolates in Complex with Human and Pneumocystis carinii Dihydrofolate Reductase: Correlations of Enzyme Selectivity and Stereochemistry
Descriptor: (2R,6S)-6-{[methyl(3,4,5-trimethoxyphenyl)amino]methyl}-1,2,5,6,7,8-hexahydroquinazoline-2,4-diamine, Dihydrofolate reductase, SULFATE ION
Authors:Cody, V, Luft, J.R, Pangborn, W, Gangjee, A, Queener, S.F.
Deposit date:2004-01-14
Release date:2004-03-30
Last modified:2024-12-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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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BU of 1ry0 by Molmil
Structure of prostaglandin F synthase with prostaglandin D2
Descriptor: Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PROSTAGLANDIN D2
Authors:Komoto, J, Yamada, T, Watanabe, K, Takusagawa, F.
Deposit date:2003-12-19
Release date:2004-11-02
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Crystal structure of human prostaglandin F synthase (AKR1C3).
Biochemistry, 43, 2004
1J0E
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BU of 1j0e by Molmil
ACC deaminase mutant reacton intermediate
Descriptor: 1-AMINOCYCLOPROPANECARBOXYLIC ACID, 1-aminocyclopropane-1-carboxylate deaminase
Authors:Ose, T, Fujino, A, Yao, M, Honma, M, Tanaka, I.
Deposit date:2002-11-12
Release date:2003-05-12
Last modified:2024-12-25
Method:X-RAY DIFFRACTION (2.45 Å)
Cite: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
Descriptor: 4-HYDROXY-1,2,5-OXADIAZOLE-3-CARBOXYLIC ACID, GLYCEROL, L-lactate dehydrogenase, ...
Authors: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.
Deposit date:2004-04-20
Release date:2004-05-11
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.7 Å)
Cite: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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BU of 1b15 by Molmil
ALCOHOL DEHYDROGENASE FROM DROSOPHILA LEBANONENSIS TERNARY COMPLEX WITH NAD-ACETONE
Descriptor: ALCOHOL DEHYDROGENASE, NICOTINAMIDE ADENINE DINUCLEOTIDE ACETONE ADDUCT
Authors:Benach, J, Atrian, S, Gonzalez-Duarte, R, Ladenstein, R.
Deposit date:1998-11-25
Release date:1999-11-26
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, GLYCEROL, L-lactate dehydrogenase
Authors: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.
Deposit date:2004-04-21
Release date:2004-05-11
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.01 Å)
Cite: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
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 3-HYDROXYISOXAZOLE-4-CARBOXYLIC ACID, GLYCEROL, ...
Authors: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.
Deposit date:2004-04-20
Release date:2004-05-11
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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
Descriptor: 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, ...
Authors:Gewe, M.M, Strong, R.K.
Deposit date:2014-07-31
Release date:2015-07-08
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Anti-CD28 Antibody-Initiated Cytokine Storm in Canines.
Transplant Direct, 1, 2015
4AJ1
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BU of 4aj1 by Molmil
rat LDHA in complex with N-(2-(methylamino)-1,3-benzothiazol-6-yl) acetamide
Descriptor: GLYCEROL, L-LACTATE DEHYDROGENASE A CHAIN, MALONATE ION, ...
Authors:Tucker, J.A, Brassington, C, Hassall, G, Vogtherr, M, Ward, R, Tart, J, Davies, G.
Deposit date:2012-02-15
Release date:2012-03-21
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.87 Å)
Cite: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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BU of 4a6o by Molmil
CpGH89CBM32-4, produced by Clostridium perfringens, in complex with glcNAc-alpha-1,4-galactose
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-beta-D-galactopyranose, ALPHA-N-ACETYLGLUCOSAMINIDASE FAMILY PROTEIN, CALCIUM ION
Authors:Ficko-Blean, E, Stuart, C.P, Suits, M.D, Cid, M, Tessier, M, Woods, R.J, Boraston, A.B.
Deposit date:2011-11-07
Release date:2012-04-04
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Carbohydrate Recognition by an Architecturally Complex Alpha-N-Acetylglucosaminidase from Clostridium Perfringens.
Plos One, 7, 2012
4A7G
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BU of 4a7g by Molmil
Structure of human I113T SOD1 mutant complexed with 4-methylpiperazin- 1-yl)quinazoline in the p21 space group.
Descriptor: 4-(4-METHYLPIPERAZIN-1-YL)QUINAZOLINE, ACETATE ION, COPPER (II) ION, ...
Authors: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.
Deposit date:2011-11-14
Release date:2012-10-24
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.24 Å)
Cite: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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BU of 2ehq by Molmil
Crystal analysis of 1-pyrroline-5-carboxylate dehydrogenase from thermus with bound NADP
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1-pyrroline-5-carboxylate dehydrogenase, ACETATE ION, ...
Authors:Inagaki, E, Sakamoto, K, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2007-03-07
Release date:2007-05-01
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.55 Å)
Cite: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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BU of 1k5p by Molmil
Hydrolytic haloalkane dehalogenase LINB from sphingomonas paucimobilis UT26 at 1.8A resolution
Descriptor: 1,3,4,6-tetrachloro-1,4-cyclohexadiene hydrolase, CHLORIDE ION, MAGNESIUM ION
Authors:Streltsov, V.A, Damborsky, J, Wilce, M.C.J.
Deposit date:2001-10-12
Release date:2003-08-26
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Haloalkane dehalogenase LinB from Sphingomonas paucimobilis UT26: X-ray crystallographic studies of dehalogenation of brominated substrates
Biochemistry, 42, 2003
2LPN
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BU of 2lpn by Molmil
Solution Structure of N-Terminal domain of human Conserved Dopamine Neurotrophic Factor (CDNF)
Descriptor: Cerebral dopamine neurotrophic factor
Authors:Latge, C, Cabral, K.M.S, Foguel, D, Pires, J.R.M, Almeida, M.S.
Deposit date:2012-02-15
Release date:2013-02-20
Last modified:2024-10-30
Method:SOLUTION NMR
Cite:(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
Descriptor: 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, ...
Authors:Zhang, J, Frerman, F.E, Kim, J.-J.P.
Deposit date:2006-04-06
Release date:2006-10-17
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite: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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BU of 2mhz by Molmil
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
Descriptor: 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'
Authors:Kowal, E.A, Seneviratne, U, Wickramaratne, S, Doherty, K.E, Cao, X, Tretyakova, N, Stone, M.P.
Deposit date:2013-12-05
Release date:2014-05-28
Last modified:2024-05-01
Method:SOLUTION NMR
Cite: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
Descriptor: 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')
Authors:Kowal, E.A, Seneviratne, U, Wickramaratne, S, Doherty, K.E, Cao, X, Tretyakova, N, Stone, M.P.
Deposit date:2013-12-05
Release date:2014-05-28
Last modified:2024-05-01
Method:SOLUTION NMR
Cite: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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BU of 2d5c by Molmil
Crystal Structure of Shikimate 5-Dehydrogenase (AroE) from Thermus Thermophilus HB8 in complex with shikimate
Descriptor: (3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-1-ENE-1-CARBOXYLIC ACID, SULFATE ION, shikimate 5-dehydrogenase
Authors:Bagautdinov, B, Kunishima, N, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2005-10-31
Release date:2006-05-01
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.65 Å)
Cite: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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BU of 1ynu by Molmil
Crystal structure of apple ACC synthase in complex with L-vinylglycine
Descriptor: 1-aminocyclopropane-1-carboxylate synthase, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[O-PHOSPHONOPYRIDOXYL]-AMINO- BUTYRIC ACID, ...
Authors:Capitani, G, Tschopp, M, Eliot, A.C, Kirsch, J.F, Grutter, M.G.
Deposit date:2005-01-25
Release date:2005-05-03
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structure of ACC synthase inactivated by the mechanism-based inhibitor L-vinylglycine.
Febs Lett., 579, 2005
2J6L
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BU of 2j6l by Molmil
Structure of aminoadipate-semialdehyde dehydrogenase
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ALDEHYDE DEHYDROGENASE FAMILY 7 MEMBER A1, BROMIDE ION, ...
Authors:Bunkoczi, G, Guo, K, Debreczeni, J.E, Smee, C, Arrowsmith, C, Edwards, A, Sundstrom, M, Weigelt, J, von Delft, F, Oppermann, U.
Deposit date:2006-09-29
Release date:2006-10-12
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.3 Å)
Cite: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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BU of 2dux by Molmil
Crystal structure of human Aldose Reductase complexed with zopolrestat after 3 days soaking (3days_soaked_1)
Descriptor: 3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Steuber, H, Heine, A, Klebe, G.
Deposit date:2006-07-27
Release date:2006-10-03
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.6 Å)
Cite: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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