2VV3
 
 | | hPPARgamma Ligand binding domain in complex with 4-oxoDHA | | Descriptor: | (6E,10Z,13Z,16Z,19Z)-4-oxodocosa-6,10,13,16,19-pentaenoic acid, PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR GAMMA | | Authors: | Itoh, T, Fairall, L, Schwabe, J.W.R. | | Deposit date: | 2008-06-02 | | Release date: | 2008-08-19 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Structural Basis for the Activation of Ppargamma by Oxidized Fatty Acids.
Nat.Struct.Mol.Biol., 15, 2008
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2VV0
 | | hPPARgamma Ligand binding domain in complex with DHA | | Descriptor: | DOCOSA-4,7,10,13,16,19-HEXAENOIC ACID, PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR GAMMA | | Authors: | Itoh, T, Fairall, L, Schwabe, J.W.R. | | Deposit date: | 2008-06-02 | | Release date: | 2008-08-19 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Structural Basis for the Activation of Pparg by Oxidised Fatty Acids
Nat.Struct.Mol.Biol., 15, 2008
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2VV4
 | | hPPARgamma Ligand binding domain in complex with 6-oxoOTE | | Descriptor: | (8E,10S,12Z)-10-hydroxy-6-oxooctadeca-8,12-dienoic acid, (8R,9Z,12Z)-8-hydroxy-6-oxooctadeca-9,12-dienoic acid, PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR GAMMA | | Authors: | Itoh, T, Fairall, L, Schwabe, J.W.R. | | Deposit date: | 2008-06-02 | | Release date: | 2008-08-19 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structural Basis for the Activation of Pparg by Oxidised Fatty Acids
Nat.Struct.Mol.Biol., 15, 2008
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3OD3
 | | CueO at 1.1 A resolution including residues in previously disordered region | | Descriptor: | 1,2-ETHANEDIOL, Blue copper oxidase cueO, COPPER (II) ION, ... | | Authors: | Montfort, W.R, Roberts, S.A, Singh, S.K. | | Deposit date: | 2010-08-10 | | Release date: | 2011-09-07 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Crystal structures of multicopper oxidase CueO bound to copper(I) and silver(I): functional role of a methionine-rich sequence.
J. Biol. Chem., 286, 2011
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2VST
 | | hPPARgamma Ligand binding domain in complex with 13-(S)-HODE | | Descriptor: | (9Z,11E,13S)-13-hydroxyoctadeca-9,11-dienoic acid, PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR GAMMA | | Authors: | Itoh, T, Fairall, L, Schwabe, J.W.R. | | Deposit date: | 2008-04-29 | | Release date: | 2008-08-19 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structural Basis for the Activation of Pparg by Oxidised Fatty Acids
Nat.Struct.Mol.Biol., 15, 2008
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5MA1
 | | PCE reductive dehalogenase from S. multivorans in complex with 2,4,6-trichlorophenol | | Descriptor: | 2,4,6-trichlorophenol, GLYCEROL, IRON/SULFUR CLUSTER, ... | | Authors: | Kunze, C, Bommer, M, Hagen, W.R, Uksa, M, Dobbek, H, Schubert, T, Diekert, G. | | Deposit date: | 2016-11-02 | | Release date: | 2017-07-12 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.498 Å) | | Cite: | Cobamide-mediated enzymatic reductive dehalogenation via long-range electron transfer.
Nat Commun, 8, 2017
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1B7V
 | | Structure of the C-553 cytochrome from Bacillus pasteruii to 1.7 A resolution | | Descriptor: | HEME C, PROTEIN (CYTOCHROME C-553) | | Authors: | Gonzalez, A, Benini, S, Rypniewski, W.R, Wilson, K.S, Ciurli, S. | | Deposit date: | 1999-01-22 | | Release date: | 2000-03-27 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structure of oxidized Bacillus pasteurii cytochrome c553 at 0.97-A resolution.
Biochemistry, 39, 2000
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2VSR
 | | hPPARgamma Ligand binding domain in complex with 9-(S)-HODE | | Descriptor: | (9S,10E,12Z)-9-hydroxyoctadeca-10,12-dienoic acid, PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR GAMMA | | Authors: | Itoh, T, Fairall, L, Schwabe, J.W.R. | | Deposit date: | 2008-04-29 | | Release date: | 2008-08-19 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Structural Basis for the Activation of Pparg by Oxidised Fatty Acids
Nat.Struct.Mol.Biol., 15, 2008
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3M9J
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7TPM
 | | Structure of the outer-membrane lipoprotein carrier protein (LolA) from Borrelia burgdorferi | | Descriptor: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, CHLORIDE ION, Outer membrane lipoprotein carrier protein LolA, ... | | Authors: | Lovell, S, Kashipathy, M.M, Battaile, K.P, Zueckert, W.R. | | Deposit date: | 2022-01-25 | | Release date: | 2023-03-15 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure of the outer-membrane lipoprotein carrier protein (LolA) from Borrelia burgdorferi
To be published
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4GM4
 | | Crystal Structure of Benzoylformate Decarboxylase Mutant L403I | | Descriptor: | 2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-4-METHYL-2-OXO-2,3-DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE, Benzoylformate decarboxylase, CALCIUM ION, ... | | Authors: | Novak, W.R.P, Andrews, F.H, Tom, A.R, Gunderman, P.R, McLeish, M.J. | | Deposit date: | 2012-08-15 | | Release date: | 2013-05-22 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.28 Å) | | Cite: | A bulky hydrophobic residue is not required to maintain the v-conformation of enzyme-bound thiamin diphosphate.
Biochemistry, 52, 2013
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3PAV
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1A8Y
 | | CRYSTAL STRUCTURE OF CALSEQUESTRIN FROM RABBIT SKELETAL MUSCLE SARCOPLASMIC RETICULUM AT 2.4 A RESOLUTION | | Descriptor: | CALSEQUESTRIN | | Authors: | Wang, S, Trumble, W.R, Liao, H, Wesson, C.R, Dunker, A.K, Kang, C. | | Deposit date: | 1998-03-31 | | Release date: | 1999-03-30 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structure of calsequestrin from rabbit skeletal muscle sarcoplasmic reticulum.
Nat.Struct.Biol., 5, 1998
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5M2G
 | | PCE reductive dehalogenase from S. multivorans in complex with 2,4,6-tribromophenol | | Descriptor: | 2,4,6-TRIBROMOPHENOL, BENZAMIDINE, GLYCEROL, ... | | Authors: | Kunze, C, Bommer, M, Hagen, W.R, Uksa, M, Dobbek, H, Schubert, T, Diekert, G. | | Deposit date: | 2016-10-12 | | Release date: | 2017-07-12 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Cobamide-mediated enzymatic reductive dehalogenation via long-range electron transfer.
Nat Commun, 8, 2017
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5M8Y
 | | PCE reductive dehalogenase from S. multivorans in complex with 3-chlorophenol | | Descriptor: | 3-CHLOROPHENOL, GLYCEROL, IRON/SULFUR CLUSTER, ... | | Authors: | Kunze, C, Bommer, M, Hagen, W.R, Uksa, M, Dobbek, H, Schubert, T, Diekert, G. | | Deposit date: | 2016-10-30 | | Release date: | 2017-07-12 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.857 Å) | | Cite: | Cobamide-mediated enzymatic reductive dehalogenation via long-range electron transfer.
Nat Commun, 8, 2017
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7TUU
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4GNW
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4GPE
 | | Crystal Structure of Benzoylformate Decarboxylase Mutant L403M | | Descriptor: | 2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-4-METHYL-2-OXO-2,3-DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE, Benzoylformate decarboxylase, CALCIUM ION, ... | | Authors: | Novak, W.R.P, Andrews, F.H, Tom, A.R, Gunderman, P.R, McLeish, M.J. | | Deposit date: | 2012-08-20 | | Release date: | 2013-05-22 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.39 Å) | | Cite: | A bulky hydrophobic residue is not required to maintain the v-conformation of enzyme-bound thiamin diphosphate.
Biochemistry, 52, 2013
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2VF0
 | | CRYSTAL STRUCTURE OF THE THYMIDYLATE SYNTHASE K48Q COMPLEXED WITH 5NO2DUMP AND BW1843U89 | | Descriptor: | 2'-DEOXY-5-NITROURIDINE 5'-MONOPHOSPHATE, S)-2-(5(((1,2-DIHYDRO-3-METHYL-1-OXOBENZO(F)QUINAZOLIN-9-YL)METHYL)AMINO)1-OXO-2-ISOINDOLINYL)GLUTARIC ACID, SULFATE ION, ... | | Authors: | Sotelo-Mundo, R.R, Arreola, R, Maley, F, Montfort, W.R. | | Deposit date: | 2007-10-27 | | Release date: | 2007-12-04 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Role of an Invariant Lysine Residue in Folate Binding on Escherichia Coli Thymidylate Synthase: Calorimetric and Crystallographic Analysis of the K48Q Mutant.
Int.J.Biochem.Cell Biol., 40, 2008
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4GL4
 | | Crystal structure of oxidized S-nitrosoglutathione reductase from Arabidopsis thalina, complex with NADH | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Alcohol dehydrogenase class-3, SULFATE ION, ... | | Authors: | Weichsel, A, Crotty, J, Montfort, W.R. | | Deposit date: | 2012-08-13 | | Release date: | 2013-02-27 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure and kinetic behavior of alcohol dehydrogenase III/S-nitrosoglutathione reductase from arabidopsis thalina
To be Published
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5M92
 | | PCE reductive dehalogenase from S. multivorans in complex with 2,4-dibromophenol | | Descriptor: | 2,4-bis(bromanyl)phenol, BENZAMIDINE, BROMIDE ION, ... | | Authors: | Kunze, C, Bommer, M, Hagen, W.R, Uksa, M, Dobbek, H, Schubert, T, Diekert, G. | | Deposit date: | 2016-10-31 | | Release date: | 2017-07-12 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.785 Å) | | Cite: | Cobamide-mediated enzymatic reductive dehalogenation via long-range electron transfer.
Nat Commun, 8, 2017
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1C75
 | | 0.97 A "AB INITIO" CRYSTAL STRUCTURE OF CYTOCHROME C-553 FROM BACILLUS PASTEURII | | Descriptor: | CYTOCHROME C-553, HEME C | | Authors: | Benini, S, Ciurli, S, Rypniewski, W.R, Wilson, K.S. | | Deposit date: | 2000-02-09 | | Release date: | 2000-03-22 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (0.97 Å) | | Cite: | Crystal structure of oxidized Bacillus pasteurii cytochrome c553 at 0.97-A resolution.
Biochemistry, 39, 2000
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2WYG
 | | Structure and property based design of factor Xa inhibitors: pyrrolidin-2-ones with monoaryl P4 motifs | | Descriptor: | (E)-2-(5-CHLOROTHIOPHEN-2-YL)-N-[(3S)-1-{4-[(1R)-1-(DIMETHYLAMINO)ETHYL]-2-FLUOROPHENYL}-2-OXOPYRROLIDIN-3-YL]ETHENESULFONAMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, FACTOR X LIGHT CHAIN | | Authors: | Kleanthous, S, Borthwick, A.D, Brown, D, Burns-Kurtis, C.L, Campbell, M, Chaudry, L, Chan, C, Clarte, M, Convery, M.A, Harling, J.D, Hortense, E, Irving, W.R, Irvine, S, Pateman, A.J, Patikis, A, Pinto, I.L, Pollard, D.R, Roethka, T.J, Senger, S, Shah, G.P, Stelman, G.J, Toomey, J.R, Watson, N.S, Whittaker, C, Zhou, P, Young, R.J. | | Deposit date: | 2009-11-16 | | Release date: | 2010-12-01 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Structure and Property Based Design of Factor Xa Inhibitors: Pyrrolidin-2-Ones with Monoaryl P4 Motifs
Bioorg.Med.Chem.Lett., 20, 2010
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2VV1
 | | hPPARgamma Ligand binding domain in complex with 4-HDHA | | Descriptor: | (4S,5E,7Z,10Z,13Z,16Z,19Z)-4-hydroxydocosa-5,7,10,13,16,19-hexaenoic acid, PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR GAMMA | | Authors: | Itoh, T, Fairall, L, Schwabe, J.W.R. | | Deposit date: | 2008-06-02 | | Release date: | 2008-08-19 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural Basis for the Activation of Pparg by Oxidised Fatty Acids
Nat.Struct.Mol.Biol., 15, 2008
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5M8W
 | | PCE reductive dehalogenase from S. multivorans in complex with 4-chlorophenol | | Descriptor: | 4-chlorophenol, BENZAMIDINE, GLYCEROL, ... | | Authors: | Kunze, C, Bommer, M, Hagen, W.R, Uksa, M, Dobbek, H, Schubert, T, Diekert, G. | | Deposit date: | 2016-10-30 | | Release date: | 2017-07-12 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.279 Å) | | Cite: | Cobamide-mediated enzymatic reductive dehalogenation via long-range electron transfer.
Nat Commun, 8, 2017
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