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7Y0R
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BU of 7y0r by Molmil
Crystal structure of the P450 BM3 heme domain mutant F87L/V78S/A184V in complex with N-imidazolyl-hexanoyl-L-phenylalanine, p-toluidine and hydroxylamine
Descriptor: (2S)-2-(6-imidazol-1-ylhexanoylamino)-3-phenyl-propanoic acid, 4-METHYLANILINE, Bifunctional cytochrome P450/NADPH--P450 reductase, ...
Authors:Jiang, Y, Dong, S, Feng, Y, Cong, Z.
Deposit date:2022-06-06
Release date:2023-06-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Crystal structure of the P450 BM3 heme domain mutant F87L/V78S/A184V in complex with N-imidazolyl-hexanoyl-L-phenylalanine, p-toluidine and hydroxylamine
To Be Published
2XGW
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BU of 2xgw by Molmil
ZINC-BOUND CRYSTAL STRUCTURE OF STREPTOCOCCUS PYOGENES DPR
Descriptor: CHLORIDE ION, GLYCEROL, PEROXIDE RESISTANCE PROTEIN, ...
Authors:Haikarainen, T, Tsou, C.-C, Wu, J.-J, Papageorgiou, A.C.
Deposit date:2010-06-08
Release date:2010-08-11
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural Characterization and Biological Implications of Di-Zinc Binding in the Ferroxidase Center of Streptococcus Pyogenes Dpr.
Biochem.Biophys.Res.Commun., 398, 2010
2XFY
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BU of 2xfy by Molmil
Crystal structure of Barley Beta-Amylase complexed with alpha- cyclodextrin
Descriptor: 1,2-ETHANEDIOL, BETA-AMYLASE, Cyclohexakis-(1-4)-(alpha-D-glucopyranose)
Authors:Rejzek, M, Stevenson, C.E.M, Southard, A.M, Stanley, D, Denyer, K, Smith, A.M, Naldrett, M.J, Lawson, D.M, Field, R.A.
Deposit date:2010-05-28
Release date:2010-12-01
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.207 Å)
Cite:Chemical Genetics and Cereal Starch Metabolism: Structural Basis of the Non-Covalent and Covalent Inhibition of Barley Beta-Amylase.
Mol.Biosyst., 7, 2011
7Y0K
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BU of 7y0k by Molmil
Crystal structure of CpKR in complex with NADPH complex from Candida parapsilosis
Descriptor: Epimerase domain-containing protein, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Chen, C, Pan, J, Xu, J.H.
Deposit date:2022-06-05
Release date:2023-06-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.03 Å)
Cite:Computational Redesign of a robust Ketoreductase for Asymmetric Synthesis of Enantiopure diltiazem precursor.
To Be Published
4NG8
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BU of 4ng8 by Molmil
Dialyzed HEW lysozyme batch crystallized in 1.9 M CsCl and collected at 100 K.
Descriptor: CESIUM ION, CHLORIDE ION, Lysozyme C
Authors:Benas, P, Legrand, L, Ries-Kautt, M.
Deposit date:2013-11-01
Release date:2014-05-28
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.09 Å)
Cite:Weak protein-cationic co-ion interactions addressed by X-ray crystallography and mass spectrometry.
Acta Crystallogr.,Sect.D, 70, 2014
7Y0Q
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BU of 7y0q by Molmil
Crystal structure of the P450 BM3 heme domain mutant F87A/T268V/A82T/I263L in complex with p-toluidine
Descriptor: 4-METHYLANILINE, Bifunctional cytochrome P450/NADPH--P450 reductase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Jiang, Y, Dong, S, Feng, Y, Cong, Z.
Deposit date:2022-06-06
Release date:2023-06-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Crystal structure of the P450 BM3 heme domain mutant F87A/T268V/A82T/I263L in complex with p-toluidine
To Be Published
2GH5
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BU of 2gh5 by Molmil
Crystal Structure of human Glutathione Reductase complexed with a Fluoro-Analogue of the Menadione Derivative M5
Descriptor: 6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN-2-YL)HEXANOIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
Authors:Fritz-Wolf, K, Winzer, A, Bauer, H, Schirmer, H, Davioud-Charvet, E.
Deposit date:2006-03-25
Release date:2006-09-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A fluoro analogue of the menadione derivative 6-[2'-(3'-methyl)-1',4'-naphthoquinolyl]hexanoic acid is a suicide substrate of glutathione reductase. Crystal structure of the alkylated human enzyme
J.Am.Chem.Soc., 128, 2006
3EXF
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BU of 3exf by Molmil
Crystal structure of the pyruvate dehydrogenase (E1p) component of human pyruvate dehydrogenase complex
Descriptor: MAGNESIUM ION, POTASSIUM ION, Pyruvate dehydrogenase E1 component subunit alpha, ...
Authors:Kato, M, Wynn, R.M, Chuang, J.L, Tso, S.-C, Machius, M, Li, J, Chuang, D.T.
Deposit date:2008-10-16
Release date:2008-11-25
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.998 Å)
Cite:Structural basis for inactivation of the human pyruvate dehydrogenase complex by phosphorylation: role of disordered phosphorylation loops.
Structure, 16, 2008
4U14
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BU of 4u14 by Molmil
Structure of the M3 muscarinic acetylcholine receptor bound to the antagonist tiotropium crystallized with disulfide-stabilized T4 lysozyme (dsT4L)
Descriptor: (1R,2R,4S,5S,7S)-7-{[hydroxy(dithiophen-2-yl)acetyl]oxy}-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.0~2,4~]nonane, Muscarinic acetylcholine receptor M3,Endolysin,Muscarinic acetylcholine receptor M3
Authors:Thorsen, T.S, Matt, R.A, Weis, W.I, Kobilka, B.K.
Deposit date:2014-07-15
Release date:2014-11-26
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3.57 Å)
Cite:Modified T4 Lysozyme Fusion Proteins Facilitate G Protein-Coupled Receptor Crystallogenesis.
Structure, 22, 2014
3L4S
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BU of 3l4s by Molmil
Crystal structure of C151G mutant of Glyceraldehyde 3-phosphate dehydrogenase 1 (GAPDH1) from methicillin resistant Staphylococcus aureus MRSA252 complexed with NAD and G3P
Descriptor: 3-PHOSPHOGLYCERIC ACID, Glyceraldehyde-3-phosphate dehydrogenase 1, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Mukherjee, S, Dutta, D, Saha, B, Das, A.K.
Deposit date:2009-12-21
Release date:2010-08-18
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of glyceraldehyde-3-phosphate dehydrogenase 1 from methicillin-resistant Staphylococcus aureus MRSA252 provides novel insights into substrate binding and catalytic mechanism.
J.Mol.Biol., 401, 2010
2R1V
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BU of 2r1v by Molmil
Norepinephrine quinone conjugation to DJ-1
Descriptor: DJ-1
Authors:Zhongtao, Z, Yue, F.
Deposit date:2007-08-23
Release date:2008-08-26
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:DJ-1 activation by catechol quinone conjugation
To be Published
4TWZ
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BU of 4twz by Molmil
Crystal Structure Analysis of E Coli. RecA Protein
Descriptor: MAGNESIUM ION, Protein RecA
Authors:Hikima, T, Hiraki, T, Furuse, M, Ikawa, S, Iwasaki, W, Shibata, T, Kamiya, N.
Deposit date:2014-07-02
Release date:2015-07-08
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Loop L1 governs the DNA-binding specificity and order for RecA-catalyzed reactions in homologous recombination and DNA repair
Nucleic Acids Res., 43, 2015
3EXD
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BU of 3exd by Molmil
Sulfur-SAD phased HEWL Crystal
Descriptor: Lysozyme C
Authors:Nascimento, A.S, Liberato, M.V, Polikarpov, I.
Deposit date:2008-10-16
Release date:2008-10-28
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:The MX2 macromolecular crystallography beamline: a wiggler X-ray source at the LNLS.
J.Synchrotron Radiat., 16, 2009
3KNG
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BU of 3kng by Molmil
Crystal structure of SnoaB, a cofactor-independent oxygenase from Streptomyces nogalater, determined to 1.9 resolution
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, SULFATE ION, ...
Authors:Koskiniemi, H, Grocholski, T, Lindqvist, Y, Mantsala, P, Niemi, J, Schneider, G.
Deposit date:2009-11-12
Release date:2010-01-26
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of the cofactor-independent monooxygenase SnoaB from Streptomyces nogalater: implications for the reaction mechanism
Biochemistry, 49, 2010
7Y0P
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BU of 7y0p by Molmil
Crystal structure of the P450 BM3 heme domain mutant F87A/T268V/A82T/I263L in complex with N-imidazolyl-hexanoyl-L-phenylalanine, p-cresol and hydroxylamine
Descriptor: (2S)-2-(6-imidazol-1-ylhexanoylamino)-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, HYDROXYAMINE, ...
Authors:Jiang, Y, Dong, S, Feng, Y, Cong, Z.
Deposit date:2022-06-06
Release date:2023-06-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Crystal structure of the P450 BM3 heme domain mutant F87A/T268V/A82T/I263L in complex with N-imidazolyl-hexanoyl-L-phenylalanine, p-cresol and hydroxylamine
To Be Published
3KNT
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BU of 3knt by Molmil
Crystal structure of Methanocaldococcus jannaschii 8-oxoguanine glycosylase/lyase in complex with 15mer DNA containing 8-oxoguanine
Descriptor: 5'-D(*AP*CP*GP*TP*CP*CP*AP*(8OG)P*GP*TP*CP*TP*AP*CP*C)-3', 5'-D(*TP*GP*GP*TP*AP*GP*AP*CP*CP*TP*GP*GP*AP*CP*G)-3', N-glycosylase/DNA lyase, ...
Authors:Faucher, F, Doublie, S.
Deposit date:2009-11-12
Release date:2010-02-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The C-terminal Lysine of Ogg2 DNA Glycosylases is a Major Molecular Determinant for Guanine/8-Oxoguanine Distinction.
J.Mol.Biol., 397, 2010
3KOU
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BU of 3kou by Molmil
Structural insights into the catalytic mechanism of CD38: Evidence for a conformationally flexible covalent enzyme-substrate complex.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CD38 molecule, ...
Authors:Egea, P.F, Muller-Steffner, H, Stroud, R.M, Oppenheimer, N.J, Kellenberger, E, Schuber, F.
Deposit date:2009-11-13
Release date:2010-10-27
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Insights into the mechanism of bovine CD38/NAD+glycohydrolase from the X-ray structures of its Michaelis complex and covalently-trapped intermediates.
Plos One, 7, 2012
3F10
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BU of 3f10 by Molmil
Crystal structure of Clostridium Acetobutylicum 8-oxoguanine DNA glycosylase in complex with 8-oxoguanosine
Descriptor: 1,2-ETHANEDIOL, 2'-DEOXY-8-OXOGUANOSINE, 8-oxoguanine-DNA-glycosylase
Authors:Faucher, F, Doublie, S.
Deposit date:2008-10-27
Release date:2009-04-07
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural characterization of Clostridium acetobutylicum 8-oxoguanine DNA glycosylase in its apo form and in complex with 8-oxodeoxyguanosine.
J.Mol.Biol., 387, 2009
4MOM
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BU of 4mom by Molmil
Pyranose 2-oxidase H450G mutant with 3-fluorinated galactose
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-deoxy-3-fluoro-beta-D-galactopyranose, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, ...
Authors:Tan, T.C, Spadiut, O, Gandini, R, Haltrich, D, Divne, C.
Deposit date:2013-09-12
Release date:2014-02-05
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Basis for Binding of Fluorinated Glucose and Galactose to Trametes multicolor Pyranose 2-Oxidase Variants with Improved Galactose Conversion.
Plos One, 9, 2014
7Y0T
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BU of 7y0t by Molmil
Crystal structure of the P450 BM3 heme domain mutant F87A in complex with N-imidazolyl-hexanoyl-L-phenylalanyl-L-phenylalanine
Descriptor: Bifunctional cytochrome P450/NADPH--P450 reductase, I7X-PHE-PHE, PROTOPORPHYRIN IX CONTAINING FE
Authors:Jiang, Y, Dong, S, Feng, Y, Cong, Z.
Deposit date:2022-06-06
Release date:2023-06-14
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Anchoring a Structurally Editable Proximal Cofactor-like Module to Construct an Artificial Dual-center Peroxygenase.
Angew.Chem.Int.Ed.Engl., 62, 2023
3EXG
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BU of 3exg by Molmil
Crystal structure of the pyruvate dehydrogenase (E1p) component of human pyruvate dehydrogenase complex
Descriptor: POTASSIUM ION, Pyruvate dehydrogenase E1 component subunit alpha, somatic form, ...
Authors:Kato, M, Wynn, R.M, Chuang, J.L, Tso, S.-C, Machius, M, Li, J, Chuang, D.T.
Deposit date:2008-10-16
Release date:2008-11-25
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3.011 Å)
Cite:Structural basis for inactivation of the human pyruvate dehydrogenase complex by phosphorylation: role of disordered phosphorylation loops.
Structure, 16, 2008
2QCK
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BU of 2qck by Molmil
Crystal structure of flavin reductase domain protein (YP_831077.1) from Arthrobacter sp. FB24 at 1.90 A resolution
Descriptor: Flavin reductase domain protein, PHOSPHATE ION
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2007-06-19
Release date:2007-07-03
Last modified:2023-01-25
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of flavin reductase domain protein (YP_831077.1) from Arthrobacter sp. FB24 at 1.90 A resolution
To be published
2GD1
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BU of 2gd1 by Molmil
COENZYME-INDUCED CONFORMATIONAL CHANGES IN GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE FROM BACILLUS STEAROTHERMOPHILLUS
Descriptor: APO-D-GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE, SULFATE ION
Authors:Skarzynski, T, Wonacott, A.J.
Deposit date:1989-06-29
Release date:1989-10-15
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Coenzyme-induced conformational changes in glyceraldehyde-3-phosphate dehydrogenase from Bacillus stearothermophilus.
J.Mol.Biol., 203, 1988
3KL5
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BU of 3kl5 by Molmil
Structure Analysis of a Xylanase From Glycosyl Hydrolase Family Thirty: Carbohydrate Ligand Complexes Reveal this Family of Enzymes Unique Mechanism of Substrate Specificity and Recognition
Descriptor: 4-O-methyl-alpha-D-glucopyranuronic acid-(1-2)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose, Glucuronoxylanase xynC
Authors:St John, F.J, Hurlbert, J.C, Pozharski, E.
Deposit date:2009-11-06
Release date:2010-12-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Ligand bound structures of a glycosyl hydrolase family 30 glucuronoxylan xylanohydrolase.
J.Mol.Biol., 407, 2011
3EZ8
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BU of 3ez8 by Molmil
Crystal Structure of endoglucanase Cel9A from the thermoacidophilic Alicyclobacillus acidocaldarius
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, Cellulase, ...
Authors:Pereira, J.H, Sapra, R, Simmons, B, Adams, P.D.
Deposit date:2008-10-22
Release date:2009-08-04
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.302 Å)
Cite:Structure of endoglucanase Cel9A from the thermoacidophilic Alicyclobacillus acidocaldarius
Acta Crystallogr.,Sect.D, 65, 2009

224004

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