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1JUB
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The K136E mutant of lactococcus lactis dihydroorotate dehydrogenase A
Descriptor: FLAVIN MONONUCLEOTIDE, GLYCEROL, MAGNESIUM ION, ...
Authors:Norager, S, Arent, S, Bjornberg, O, Ottosen, M, Lo Leggio, L, Jensen, K.F, Larsen, S.
Deposit date:2001-08-24
Release date:2003-09-09
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Lactococcus lactis dihydroorotate dehydrogenase A mutants reveal important facets of the enzymatic function
J.Biol.Chem., 278, 2003
1JQX
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The R57A mutant of Lactococcus lactis dihydroorotate dehydrogenase A
Descriptor: FLAVIN MONONUCLEOTIDE, GLYCEROL, MAGNESIUM ION, ...
Authors:Norager, S, Arent, S, Bjornberg, O, Ottosen, M, Lo Leggio, L, Jensen, K.F, Larsen, S.
Deposit date:2001-08-09
Release date:2003-09-09
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Lactococcus lactis dihydroorotate dehydrogenase A mutants reveal important facets of the enzymatic function
J.Biol.Chem., 278, 2003
1JRC
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The N67A mutant of Lactococcus lactis dihydroorotate dehydrogenase A
Descriptor: FLAVIN MONONUCLEOTIDE, OROTIC ACID, dihydroorotate dehydrogenase A
Authors:Norager, S, Arent, S, Bjornberg, O, Ottosen, M, Lo Leggio, L, Jensen, K.F, Larsen, S.
Deposit date:2001-08-13
Release date:2003-09-09
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Lactococcus lactis dihydroorotate dehydrogenase A mutants reveal important facets of the enzymatic function
J.Biol.Chem., 278, 2003
1JIG
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BU of 1jig by Molmil
Dlp-2 from Bacillus anthracis
Descriptor: Dlp-2, FE (III) ION
Authors:Papinutto, E, Dundon, W.G, Pitulis, N, Battistutta, R, Montecucco, C, Zanotti, G.
Deposit date:2001-07-02
Release date:2002-06-19
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Structure of two iron-binding proteins from Bacillus anthracis.
J.Biol.Chem., 277, 2002
1JUE
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1.8 A resolution structure of native lactococcus lactis dihydroorotate dehydrogenase A
Descriptor: ACETIC ACID, FLAVIN MONONUCLEOTIDE, GLYCEROL, ...
Authors:Norager, S, Arent, S, Bjornberg, O, Ottosen, M, Lo Leggio, L, Jensen, K.F, Larsen, S.
Deposit date:2001-08-24
Release date:2003-09-09
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Lactococcus lactis dihydroorotate dehydrogenase A mutants reveal important facets of the enzymatic function
J.Biol.Chem., 278, 2003
3FEP
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Crystal structure of the R132K:R111L:L121E:R59W-CRABPII mutant complexed with a synthetic ligand (merocyanin) at 2.60 angstrom resolution.
Descriptor: (2E,4E,6E)-3-methyl-6-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)hexa-2,4-dienal, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Cellular retinoic acid-binding protein 2
Authors:Jia, X, Geiger, J.H.
Deposit date:2008-11-30
Release date:2009-11-10
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:"Turn-on" protein fluorescence: in situ formation of cyanine dyes.
J.Am.Chem.Soc., 137, 2015
1YQ4
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Avian respiratory complex ii with 3-nitropropionate and ubiquinone
Descriptor: 1,2-Dioleoyl-sn-glycero-3-phosphoethanolamine, 3-NITROPROPANOIC ACID, Coenzyme Q10, ...
Authors:Huang, L, Sun, G, Cobessi, D, Wang, A, Shen, J.T, Tung, E.Y, Anderson, V.E, Berry, E.A.
Deposit date:2005-02-01
Release date:2005-12-20
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:3-Nitropropionic Acid Is a Suicide Inhibitor of Mitochondrial Respiration That, upon Oxidation by Complex II, Forms a Covalent Adduct with a Catalytic Base Arginine in the Active Site of the Enzyme
J.Biol.Chem., 281, 2006
3FH5
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Leukotriene A4 Hydrolase complexed with inhibitor (2R)-2-[(4-benzylphenoxy)methyl]pyrrolidine.
Descriptor: (2R)-2-[(4-benzylphenoxy)methyl]pyrrolidine, ACETATE ION, GLYCEROL, ...
Authors:Mamat, B, Davies, D.R.
Deposit date:2008-12-08
Release date:2010-01-05
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Discovery of 4-[(2S)-2-{[4-(4-chlorophenoxy)phenoxy]methyl}-1-pyrrolidinyl]butanoic acid (DG-051) as a novel leukotriene A4 hydrolase inhibitor of leukotriene B4 biosynthesis.
J.Med.Chem., 53, 2010
5A37
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Mutations in the Calponin homology domain of Alpha-Actinin-2 affect Actin binding and incorporation in muscle.
Descriptor: HUMAN ALPHA-ACTININ-2
Authors:Haywood, N.J, Wolny, M, Trinh, C.H, Shuping, Y, Edwards, T.A, Peckham, M.
Deposit date:2015-05-27
Release date:2016-06-22
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Hypertrophic Cardiomyopathy Mutations in the Calponin-Homology Domain of Actn2 Affect Actin Binding and Cardiomyocyte Z-Disc Incorporation.
Biochem.J., 473, 2016
5A36
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Mutations in the Calponin homology domain of Alpha-Actinin-2 affect Actin binding and incorporation in muscle.
Descriptor: ALPHA-ACTININ-2
Authors:Haywood, N.J, Wolny, M, Trinh, C.H, Shuping, Y, Edwards, T.A, Peckham, M.
Deposit date:2015-05-27
Release date:2016-06-22
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Hypertrophic Cardiomyopathy Mutations in the Calponin-Homology Domain of Actn2 Affect Actin Binding and Cardiomyocyte Z-Disc Incorporation.
Biochem.J., 473, 2016
5ABH
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BU of 5abh by Molmil
Structure of GH84 with ligand
Descriptor: 1,2-ETHANEDIOL, 2-[(2R,3S,4R,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)-1-pentyl-pyrrolidin-2-yl]-N-methyl-ethanamide, CALCIUM ION, ...
Authors:Bergeron-Brlek, M, Goodwin-Tindall, J, Cekic, N, Varghese, V, Zandberg, W.F, Shan, X, Roth, C, Chan, S, Davies, G.J, Vocadlo, D.J, Britton, R.
Deposit date:2015-08-05
Release date:2015-11-18
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:A Convenient Approach to Stereoisomeric Iminocyclitols: Generation of Potent Brain-Permeable Oga Inhibitors.
Angew.Chem.Int.Ed.Engl., 54, 2015
1YSW
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BU of 1ysw by Molmil
Solution structure of the anti-apoptotic protein Bcl-2 complexed with an acyl-sulfonamide-based ligand
Descriptor: 3-NITRO-N-{4-[2-(2-PHENYLETHYL)-1,3-BENZOTHIAZOL-5-YL]BENZOYL}-4-{[2-(PHENYLSULFANYL)ETHYL]AMINO}BENZENESULFONAMIDE, Apoptosis regulator Bcl-2
Authors:Oltersdorf, T, Elmore, S.W, Shoemaker, A.R, Armstrong, R.C, Augeri, D.J, Belli, B.A, Bruncko, M, Deckwerth, T.L, Dinges, J, Hajduk, P.J, Joseph, M.K, Kitada, S, Korsmeyer, S.J, Kunzer, A.R, Letai, A, Li, C, Mitten, M.J, Nettesheim, D.G, Ng, S, Nimmer, P.M, O'Connor, J.M, Oleksijew, A, Petros, A.M, Reed, J.C, Shen, W, Tahir, S.K, Thompson, C.B, Tomaselli, K.J, Wang, B, Wendt, M.D, Zhang, H, Fesik, S.W, Rosenberg, S.H.
Deposit date:2005-02-09
Release date:2005-06-07
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:An inhibitor of Bcl-2 family proteins induces regression of solid tumours
Nature, 435, 2005
1UE8
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Crystal Structure of Thermophilic Cytochrome P450 from Sulfolobus tokodaii
Descriptor: 367aa long hypothetical cytochrome P450, CHLORIDE ION, PROTOPORPHYRIN IX CONTAINING FE
Authors:Nakamura, N, Kamitori, S, Ohno, H.
Deposit date:2003-05-09
Release date:2004-07-13
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure and direct electrochemistry of cytochrome P450 from the thermoacidophilic crenarchaeon, Sulfolobus tokodaii strain 7
J.Inorg.Biochem., 98, 2004
1YSI
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BU of 1ysi by Molmil
Solution structure of the anti-apoptotic protein Bcl-xL in complex with an acyl-sulfonamide-based ligand
Descriptor: Apoptosis regulator Bcl-X, N-[(4'-FLUORO-1,1'-BIPHENYL-4-YL)CARBONYL]-3-NITRO-4-{[2-(PHENYLSULFANYL)ETHYL]AMINO}BENZENESULFONAMIDE
Authors:Oltersdorf, T, Elmore, S.W, Shoemaker, A.R, Armstrong, R.C, Augeri, D.J, Belli, B.A, Bruncko, M, Deckwerth, T.L, Dinges, J, Hajduk, P.J, Joseph, M.K, Kitada, S, Korsmeyer, S.J, Kunzer, A.R, Letai, A, Li, C, Mitten, M.J, Nettesheim, D.G, Ng, S, Nimmer, P.M, O'Connor, J.M, Oleksijew, A, Petros, A.M, Reed, J.C, Shen, W, Tahir, S.K, Thompson, C.B, Tomaselli, K.J, Wang, B, Wendt, M.D, Zhang, H, Fesik, S.W, Rosenberg, S.H.
Deposit date:2005-02-08
Release date:2005-06-07
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:An inhibitor of Bcl-2 family proteins induces regression of solid tumours
Nature, 435, 2005
3FH8
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Leukotriene A4 Hydrolase complexed with inhibitor 1-[2-(4-benzylphenoxy)ethyl]pyrrolidine.
Descriptor: 1-[2-(4-benzylphenoxy)ethyl]pyrrolidine, ACETATE ION, IMIDAZOLE, ...
Authors:Mamat, B, Davies, D.R.
Deposit date:2008-12-09
Release date:2010-01-05
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Discovery of 4-[(2S)-2-{[4-(4-chlorophenoxy)phenoxy]methyl}-1-pyrrolidinyl]butanoic acid (DG-051) as a novel leukotriene A4 hydrolase inhibitor of leukotriene B4 biosynthesis.
J.Med.Chem., 53, 2010
3FCI
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Complex of UNG2 and a fragment-based designed inhibitor
Descriptor: 3-{(E)-[(3-{[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]amino}propoxy)imino]methyl}benzoic acid, SODIUM ION, THIOCYANATE ION, ...
Authors:Bianchet, M.A, Chung, S, Parker, J.B, Amzel, L.M, Stivers, J.T.
Deposit date:2008-11-21
Release date:2009-04-28
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.27 Å)
Cite:Impact of linker strain and flexibility in the design of a fragment-based inhibitor
Nat.Chem.Biol., 5, 2009
1YSX
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Solution structure of domain 3 from human serum albumin complexed to an anti-apoptotic ligand directed against Bcl-xL and Bcl-2
Descriptor: 4-({2-[(2,4-DIMETHYLPHENYL)SULFANYL]ETHYL}AMINO)-N-[(4'-FLUORO-1,1'-BIPHENYL-4-YL)CARBONYL]-3-NITROBENZENESULFONAMIDE, Serum albumin
Authors:Oltersdorf, T, Elmore, S.W, Shoemaker, A.R, Armstrong, R.C, Augeri, D.J, Belli, B.A, Bruncko, M, Deckwerth, T.L, Dinges, J, Hajduk, P.J, Joseph, M.K, Kitada, S, Korsmeyer, S.J, Kunzer, A.R, Letai, A, Li, C, Mitten, M.J, Nettesheim, D.G, Ng, S, Nimmer, P.M, O'Connor, J.M, Oleksijew, A, Petros, A.M, Reed, J.C, Shen, W, Tahir, S.K, Thompson, C.B, Tomaselli, K.J, Wang, B, Wendt, M.D, Zhang, H, Fesik, S.W, Rosenberg, S.H.
Deposit date:2005-02-09
Release date:2005-06-07
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:An inhibitor of Bcl-2 family proteins induces regression of solid tumours
Nature, 435, 2005
3FHE
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BU of 3fhe by Molmil
Leukotriene A4 Hydrolase complexed with inhibitor N-[3-(4-benzylphenoxy)propyl]-N-methyl-beta-alanine.
Descriptor: ACETATE ION, IMIDAZOLE, Leukotriene A-4 hydrolase, ...
Authors:Mamat, B, Davies, D.R.
Deposit date:2008-12-09
Release date:2010-01-05
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Discovery of 4-[(2S)-2-{[4-(4-chlorophenoxy)phenoxy]methyl}-1-pyrrolidinyl]butanoic acid (DG-051) as a novel leukotriene A4 hydrolase inhibitor of leukotriene B4 biosynthesis.
J.Med.Chem., 53, 2010
1Z4Z
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Parainfluenza Virus 5 (SV5) Hemagglutinin-Neuraminidase (HN) with ligand DANA(soaked with sialic acid, pH7.0))
Descriptor: 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC 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:Yuan, P, Thompson, T.B, Wurzburg, B.A, Paterson, R.G, Lamb, R.A, Jardetzky, T.S.
Deposit date:2005-03-16
Release date:2005-05-24
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural studies of the parainfluenza virus 5 hemagglutinin-neuraminidase tetramer in complex with its receptor, sialyllactose.
Structure, 13, 2005
1Z62
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Indirubin-3'-aminooxy-acetate inhibits glycogen phosphorylase by binding at the inhibitor and the allosteric site. Broad specificities of the two sites
Descriptor: ({[(3E)-2'-OXO-2',7'-DIHYDRO-2,3'-BIINDOL-3(7H)-YLIDENE]AMINO}OXY)ACETIC ACID, Glycogen phosphorylase, muscle form, ...
Authors:Kosmopoulou, M.N, Leonidas, D.D, Chrysina, E.D, Eisenbrand, G, Oikonomakos, N.G.
Deposit date:2005-03-21
Release date:2006-03-07
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Indirubin-3'-Aminooxy-Acetate Inhibits Glycogen Phosphorylase by Binding at the Inhibitor and the Allosteric Site. Broad Specificities of the Two Sites
LETT.DRUG DES.DISCOVERY, 2, 2005
1ZB8
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BU of 1zb8 by Molmil
Crystal structure of Xylella fastidiosa organic peroxide resistance protein
Descriptor: 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, organic hydroperoxide resistance protein
Authors:Oliveira, M.A, Guimaraes, B.G, Cussiol, J.R, Medrano, F.J, Vidigal, S.A, Gozzo, F.C, Netto, L.E.
Deposit date:2005-04-07
Release date:2006-05-02
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural Insights into Enzyme-Substrate Interaction and Characterization of Enzymatic Intermediates of Organic Hydroperoxide Resistance Protein from Xylella fastidiosa.
J.Mol.Biol., 359, 2006
1LKS
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BU of 1lks by Molmil
HEN EGG WHITE LYSOZYME NITRATE
Descriptor: LYSOZYME, NITRATE ION
Authors:Steinrauf, L.K.
Deposit date:1997-10-09
Release date:1998-04-29
Last modified:2023-07-26
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Structures of monoclinic lysozyme iodide at 1.6 A and of triclinic lysozyme nitrate at 1.1 A.
Acta Crystallogr.,Sect.D, 54, 1998
1ZB9
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BU of 1zb9 by Molmil
Crystal structure of Xylella fastidiosa organic peroxide resistance protein
Descriptor: 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, organic hydroperoxide resistance protein
Authors:Oliveira, M.A, Guimaraes, B.G, Cussiol, J.R, Medrano, F.J, Vidigal, S.A, Gozzo, F.C, Netto, L.E.
Deposit date:2005-04-07
Release date:2006-04-25
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural Insights into Enzyme-Substrate Interaction and Characterization of Enzymatic Intermediates of Organic Hydroperoxide Resistance Protein from Xylella fastidiosa.
J.Mol.Biol., 359, 2006
4IA2
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BU of 4ia2 by Molmil
Diastereotopic and Deuterium Effects in Gemini
Descriptor: 21-NOR-9,10-SECOCHOLESTA-5,7,10(19)-TRIENE-1,3,25-TRIOL, 20-(4-HYDROXY-4-METHYLPENTYL)-, (1A,3B,5Z,7E), ...
Authors:Maehr, H, Rochel, N, Suh, N, Uskokovic, M.
Deposit date:2012-12-06
Release date:2013-04-24
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Diastereotopic and deuterium effects in gemini.
J.Med.Chem., 56, 2013
4I9X
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Crystal structure of human cytomegalovirus glycoprotein UL141 targeting the death receptor TRAIL-R2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Nemcovicova, I, Zajonc, D.M.
Deposit date:2012-12-05
Release date:2013-04-03
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of Human Cytomegalovirus UL141 Binding to TRAIL-R2 Reveals Novel, Non-canonical Death Receptor Interactions.
Plos Pathog., 9, 2013

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