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4I4B
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BU of 4i4b by Molmil
HMG-CoA Reductase from Pseudomonas mevalonii complexed with NAD and intermediate hemiacetal form of HMG-CoA
分子名称: (3R,5R,9R,19R,21S)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9,21-tetrahydroxy-8,8,21-trimethyl-10,14-dioxo-19-sulfanyl-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphatricosan-23-oic acid 3,5-dioxide, (3S)-3-hydroxy-3-methyl-5-sulfanylpentanoic acid, 3-hydroxy-3-methylglutaryl-coenzyme A reductase, ...
著者Stauffacher, C.V, Steussy, C.N, Critchelow, C.J, Schmidt, T, Min, J, Wrensford, L.V, Burgner, J.W, Rodwell, V.W.
登録日2012-11-27
公開日2013-07-17
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献A Novel Role for Coenzyme A during Hydride Transfer in 3-Hydroxy-3-methylglutaryl-coenzyme A Reductase.
Biochemistry, 52, 2013
1JQ5
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BU of 1jq5 by Molmil
Bacillus Stearothermophilus Glycerol dehydrogenase complex with NAD+
分子名称: Glycerol dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ZINC ION
著者Ruzheinikov, S.N, Burke, J, Sedelnikova, S, Baker, P.J, Taylor, R, Bullough, P.A, Muir, N.M, Gore, M.G, Rice, D.W.
登録日2001-08-03
公開日2001-10-01
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Glycerol dehydrogenase. structure, specificity, and mechanism of a family III polyol dehydrogenase.
Structure, 9, 2001
3TNZ
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BU of 3tnz by Molmil
Crystal structure of Mus musculus iodotyrosine deiodinase (IYD) C217A, C239A bound to FMN and mono-iodotyrosine (MIT)
分子名称: 3-IODO-TYROSINE, CITRATE ANION, FLAVIN MONONUCLEOTIDE, ...
著者Buss, J.M, McTamney, P.M, Rokita, S.E.
登録日2011-09-02
公開日2012-02-29
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Expression of a soluble form of iodotyrosine deiodinase for active site characterization by engineering the native membrane protein from Mus musculus.
Protein Sci., 21, 2012
5RSN
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BU of 5rsn by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000064576
分子名称: (1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetic acid, Non-structural protein 3
著者Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S.
登録日2020-09-28
公開日2020-12-16
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
Sci Adv, 7, 2021
1RX4
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BU of 1rx4 by Molmil
DIHYDROFOLATE REDUCTASE (E.C.1.5.1.3) COMPLEXED WITH 5,10-DIDEAZATETRAHYDROFOLATE AND 2'-MONOPHOSPHOADENOSINE 5'-DIPHOSPHORIBOSE
分子名称: 5,10-DIDEAZATETRAHYDROFOLIC ACID, BETA-MERCAPTOETHANOL, DIHYDROFOLATE REDUCTASE, ...
著者Sawaya, M.R.
登録日1996-09-19
公開日1997-01-11
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Loop and subdomain movements in the mechanism of Escherichia coli dihydrofolate reductase: crystallographic evidence.
Biochemistry, 36, 1997
3OCH
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BU of 3och by Molmil
Chemically Self-assembled Antibody Nanorings (CSANs): Design and Characterization of an Anti-CD3 IgM Biomimetic
分子名称: (2S,2'S)-5,5'-(nonane-1,9-diyldiimino)bis(2-{[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}phenyl)carbonyl]amino}-5-oxopentanoic acid) (non-preferred name), CHLORIDE ION, Dihydrofolate reductase, ...
著者Cody, V.
登録日2010-08-10
公開日2010-12-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Chemically Self-Assembled Antibody Nanorings (CSANs): Design and Characterization of an Anti-CD3 IgM Biomimetic.
J.Am.Chem.Soc., 132, 2010
1WZI
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BU of 1wzi by Molmil
Structural basis for alteration of cofactor specificity of Malate dehydrogenase from Thermus flavus
分子名称: Malate dehydrogenase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Tomita, T, Fushinobu, S, Kuzuyama, T, Nishiyama, M.
登録日2005-03-05
公開日2006-03-14
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural basis for alteration of cofactor specificity of malate dehydrogenase from Thermus flavus
to be published
3G4Z
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BU of 3g4z by Molmil
Crystal Structure of NiSOD Y9F mutant at 1.9 A
分子名称: BROMIDE ION, NICKEL (II) ION, Superoxide dismutase [Ni]
著者Garman, S.C, Guce, A.I, Herbst, R.W, Bryngelson, P.A, Cabelli, D.E, Higgins, K.A, Ryan, K.C, Maroney, M.J.
登録日2009-02-04
公開日2009-04-28
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Role of conserved tyrosine residues in NiSOD catalysis: a case of convergent evolution
Biochemistry, 48, 2009
1IXB
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BU of 1ixb by Molmil
CRYSTAL STRUCTURE OF THE E. COLI MANGANESE(II) SUPEROXIDE DISMUTASE MUTANT Y174F AT 0.90 ANGSTROMS RESOLUTION.
分子名称: MANGANESE ION, 1 HYDROXYL COORDINATED, SUPEROXIDE DISMUTASE
著者Anderson, B.F, Edwards, R.A, Whittaker, M.M, Whittaker, J.W, Baker, E.N, Jameson, G.B.
登録日2002-06-18
公開日2002-12-18
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (0.9 Å)
主引用文献Structures at 0.90 A resolution of the oxidised and reduced forms of the Y174F mutant of the manganese superoxide dismutase from Escherichia coli
To be Published
3ZCH
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BU of 3zch by Molmil
Ascorbate peroxidase W41A-H42M mutant
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ASCORBATE PEROXIDASE, POTASSIUM ION, ...
著者Gumiero, A, Raven, E.L, Moody, P.C.E.
登録日2012-11-20
公開日2012-12-19
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Probing the Conformational Mobility of the Active Site of Ascorbate Peroxidase
Dalton Trans, 42, 2013
3L68
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BU of 3l68 by Molmil
Xenobiotic Reductase A - C25S variant with coumarin
分子名称: (R,R)-2,3-BUTANEDIOL, COUMARIN, FLAVIN MONONUCLEOTIDE, ...
著者Spiegelhauer, O, Dobbek, H.
登録日2009-12-23
公開日2010-03-23
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Cysteine as a modulator residue in the active site of xenobiotic reductase A: a structural, thermodynamic and kinetic study
J.Mol.Biol., 398, 2010
3G1R
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BU of 3g1r by Molmil
Crystal structure of human liver 5beta-reductase (AKR1D1) in complex with NADP and Finasteride. Resolution 1.70 A
分子名称: (4aR,4bS,6aS,7S,9aS,9bS,11aR)-N-tert-butyl-4a,6a-dimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-indeno[5,4-f]quinoline-7-carboxamide, 3-oxo-5-beta-steroid 4-dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Di Costanzo, L, Drury, J.E, Penning, T.M, Christianson, D.W.
登録日2009-01-30
公開日2009-06-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.701 Å)
主引用文献Inhibition of human steroid 5beta-reductase (AKR1D1) by finasteride and structure of the enzyme-inhibitor complex.
J.Biol.Chem., 284, 2009
1RX6
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BU of 1rx6 by Molmil
DIHYDROFOLATE REDUCTASE (E.C.1.5.1.3) COMPLEXED WITH 5,10-DIDEAZATETRAHYDROFOLATE AND NICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATE (REDUCED FORM)
分子名称: 5,10-DIDEAZATETRAHYDROFOLIC ACID, BETA-MERCAPTOETHANOL, DIHYDROFOLATE REDUCTASE, ...
著者Sawaya, M.R.
登録日1996-09-19
公開日1997-01-11
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Loop and subdomain movements in the mechanism of Escherichia coli dihydrofolate reductase: crystallographic evidence.
Biochemistry, 36, 1997
3BLV
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BU of 3blv by Molmil
Yeast Isocitrate Dehydrogenase with Citrate Bound in the Regulatory Subunits
分子名称: CITRATE ANION, Isocitrate dehydrogenase [NAD] subunit 1, Isocitrate dehydrogenase [NAD] subunit 2
著者Taylor, A.B, Hu, G, Hart, P.J, McAlister-Henn, L.
登録日2007-12-11
公開日2008-02-05
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Allosteric Motions in Structures of Yeast NAD+-specific Isocitrate Dehydrogenase.
J.Biol.Chem., 283, 2008
1RX5
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BU of 1rx5 by Molmil
DIHYDROFOLATE REDUCTASE (E.C.1.5.1.3) COMPLEXED WITH 5,10-DIDEAZATETRAHYDROFOLATE
分子名称: 5,10-DIDEAZATETRAHYDROFOLIC ACID, DIHYDROFOLATE REDUCTASE
著者Sawaya, M.R.
登録日1996-09-19
公開日1997-01-11
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Loop and subdomain movements in the mechanism of Escherichia coli dihydrofolate reductase: crystallographic evidence.
Biochemistry, 36, 1997
1RX9
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BU of 1rx9 by Molmil
DIHYDROFOLATE REDUCTASE (E.C.1.5.1.3) COMPLEXED WITH NICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATE (OXIDIZED FORM)
分子名称: BETA-MERCAPTOETHANOL, CALCIUM ION, DIHYDROFOLATE REDUCTASE, ...
著者Sawaya, M.R, Kraut, J.
登録日1996-10-25
公開日1997-04-01
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Loop and subdomain movements in the mechanism of Escherichia coli dihydrofolate reductase: crystallographic evidence.
Biochemistry, 36, 1997
3SQP
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BU of 3sqp by Molmil
Structure of human glutathione reductase complexed with pyocyanin, an agent with antimalarial activity
分子名称: 5-methylphenazin-1(5H)-one, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
著者Fritz-Wolf, K, Schirmer, R.H, Koenig, I, Goebel, U.
登録日2011-07-06
公開日2011-09-14
最終更新日2024-11-27
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献The bacterial redox signaller pyocyanin as an antiplasmodial agent: comparisons with its thioanalog methylene blue.
Redox Rep., 16, 2011
5AOG
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BU of 5aog by Molmil
Structure of Sorghum peroxidase
分子名称: 1H-INDOL-3-YLACETIC ACID, CALCIUM ION, CATIONIC PEROXIDASE SPC4, ...
著者Kwon, H, Nnamchi, C.I, Parkin, G, Efimov, I, Agirre, J, Basran, J, Raven, E.L, Moody, P.C.E.
登録日2015-09-10
公開日2016-01-13
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.27 Å)
主引用文献Structural and Spectroscopic Characterisation of a Heme Peroxidase from Sorghum.
J.Biol.Inorg.Chem., 21, 2016
1AUJ
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BU of 1auj by Molmil
BOVINE TRYPSIN COMPLEXED TO META-CYANO-BENZYLIC INHIBITOR
分子名称: 1-{[1-(2-AMINO-3-PHENYL-PROPIONYL)-PYRROLIDINE-2-CARBONYL]-AMINO}-2-(3-CYANO-PHENYL)-ETHANEBORONIC ACID, CALCIUM ION, TRYPSIN
著者Alexander, R, Smallwood, A, Kettner, C.
登録日1997-08-28
公開日1998-10-14
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献New inhibitors of thrombin and other trypsin-like proteases: hydrogen bonding of an aromatic cyano group with a backbone amide of the P1 binding site replaces binding of a basic side chain.
Biochemistry, 36, 1997
3CN3
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BU of 3cn3 by Molmil
Human transthyretin (TTR) in complex with 1,3-Dibromo-2-hydroxy-5-phenoxybenzene
分子名称: 2,6-dibromo-4-phenoxyphenol, Transthyretin
著者Connelly, S, Wilson, I.A.
登録日2008-03-24
公開日2008-10-28
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Toward optimization of the linker substructure common to transthyretin amyloidogenesis inhibitors using biochemical and structural studies.
J.Med.Chem., 51, 2008
3CUR
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BU of 3cur by Molmil
Structure of a double methionine mutant of NI-FE hydrogenase
分子名称: CARBONMONOXIDE-(DICYANO) IRON, FE3-S4 CLUSTER, GLYCEROL, ...
著者Volbeda, A.
登録日2008-04-17
公開日2008-08-05
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Experimental approaches to kinetics of gas diffusion in hydrogenase
Proc.Natl.Acad.Sci.Usa, 105, 2008
3P7X
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Crystal structure of an atypical two-cysteine peroxiredoxin (SAOUHSC_01822) from Staphylococcus aureus NCTC8325
分子名称: (2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, (2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, Probable thiol peroxidase, ...
著者Bhattacharyya, S, Dutta, D, Ghosh, A.K, Das, A.K.
登録日2010-10-13
公開日2011-10-19
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Crystal structure of an atypical two-cysteine peroxiredoxin (SAOUHSC_01822) from Staphylococcus aureus NCTC8325
To be Published
5ZCQ
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BU of 5zcq by Molmil
Azide-bound cytochrome c oxidase structure determined using the crystals exposed to 10 mM azide solution for 2 days
分子名称: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ...
著者Shimada, A, Hatano, K, Tadehara, H, Tsukihara, T.
登録日2018-02-19
公開日2018-08-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献X-ray structural analyses of azide-bound cytochromecoxidases reveal that the H-pathway is critically important for the proton-pumping activity.
J. Biol. Chem., 293, 2018
2D3Q
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BU of 2d3q by Molmil
Crystal Structure of a Decolorizing Peroxidase (DyP) That Catalyses the Biological Oxidation of Anthraquinone Derivatives
分子名称: Decolorizing Peroxidase, PROTOPORPHYRIN IX CONTAINING FE
著者Sato, T, Sugano, Y, Shoda, M.
登録日2005-09-30
公開日2006-09-30
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献The catalytic mechanism of dye-decolorizing peroxidase DyP may require the swinging movement of an aspartic acid residue
Febs J., 278, 2011
5Z84
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The structure of azide-bound cytochrome c oxidase determined using the crystals exposed to 20 mM azide solution for 4 days
分子名称: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ...
著者Shimada, A, Hatano, K, Tadehara, H, Tsukihara, T.
登録日2018-01-31
公開日2018-08-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献X-ray structural analyses of azide-bound cytochromecoxidases reveal that the H-pathway is critically important for the proton-pumping activity.
J. Biol. Chem., 293, 2018

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