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4P4Q
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Complex of yeast cytochrome c peroxidase (W191F) with iso-1 cytochrome c
分子名称: Cytochrome c iso-1, Cytochrome c peroxidase, mitochondrial, ...
著者Crane, B.R, Payne, T.M.
登録日2014-03-12
公開日2015-03-25
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Chemical constraints on the radical cation center of cytochrome c peroxidase for long-range electron transfer
to be published
2A1M
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BU of 2a1m by Molmil
Crystal structure of ferrous dioxygen complex of wild-type cytochrome P450cam
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CAMPHOR, Cytochrome P450-cam, ...
著者Nagano, S, Poulos, T.L.
登録日2005-06-20
公開日2005-07-05
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystallographic study on the dioxygen complex of wild-type and mutant cytochrome P450cam. Implications for the dioxygen activation mechanism
J.Biol.Chem., 280, 2005
4JIH
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BU of 4jih by Molmil
Crystal Structure Of AKR1B10 Complexed With NADP+ And Epalrestat
分子名称: Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {5-[(2E)-2-methyl-3-phenylprop-2-en-1-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}acetic acid
著者Zhang, L, Zheng, X, Zhang, H, Zhao, Y, Chen, K, Zhai, J, Hu, X, Structural Genomics Consortium (SGC)
登録日2013-03-06
公開日2013-10-23
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Inhibitor selectivity between aldo-keto reductase superfamily members AKR1B10 and AKR1B1: Role of Trp112 (Trp111).
Febs Lett., 587, 2013
5OM1
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BU of 5om1 by Molmil
Structure of the A2A-StaR2-bRIL562-Compound 4e complex at 2.1A obtained from in meso soaking experiments (1 hour soak).
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-(3-amino-5-phenyl-1,2,4-triazin-6-yl)-2-chlorophenol, Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a, ...
著者Rucktooa, P, Cheng, R.K.Y, Segala, E, Geng, T, Errey, J.C, Brown, G.A, Cooke, R, Marshall, F.H, Dore, A.S.
登録日2017-07-28
公開日2018-01-17
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Towards high throughput GPCR crystallography: In Meso soaking of Adenosine A2A Receptor crystals.
Sci Rep, 8, 2018
4JIR
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BU of 4jir by Molmil
Crystal Structure Of Aldose Reductase (AKR1B1) Complexed With NADP+ And Epalrestat
分子名称: Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SULFATE ION, ...
著者Zhang, L, Zheng, X, Zhang, H, Zhao, Y, Chen, K, Zhai, J, Hu, X.
登録日2013-03-06
公開日2013-10-23
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Inhibitor selectivity between aldo-keto reductase superfamily members AKR1B10 and AKR1B1: Role of Trp112 (Trp111).
Febs Lett., 587, 2013
9FMB
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BU of 9fmb by Molmil
Crystal structure of human IgD-Fc
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ...
著者Davies, A.M, McDonnell, J.M.
登録日2024-06-05
公開日2024-12-04
最終更新日2025-03-12
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献The Crystal Structure of Human IgD-Fc Reveals Unexpected Differences With Other Antibody Isotypes.
Proteins, 93, 2025
1ZLZ
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BU of 1zlz by Molmil
Re-Evaluation of the Low-Temperature Azide in Mn-Dependent Superoxide Dismutase
分子名称: AZIDE ION, MANGANESE ION, 1 HYDROXYL COORDINATED, ...
著者Salvador, J.R, Whittaker, M.M, Whittaker, J.W, Jameson, G.B.
登録日2005-05-09
公開日2006-05-02
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Azide Adduct of the Y174F mutant of Manganese superoxide dismutase from Escherichia coli
TO BE PUBLISHED
4GP4
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BU of 4gp4 by Molmil
Structure of Recombinant Cytochrome ba3 Oxidase mutant Y133F from Thermus thermophilus
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, COPPER (II) ION, Cytochrome c oxidase polypeptide 2A, ...
著者Li, Y, Chen, Y, Stout, C.D.
登録日2012-08-20
公開日2013-01-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Ligand Access to the Active Site in Thermus thermophilusba(3) and Bovine Heart aa(3) Cytochrome Oxidases.
Biochemistry, 52, 2013
3NVY
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BU of 3nvy by Molmil
Crystal Structure of Bovine Xanthine Oxidase in Complex with Quercetin
分子名称: 3,5,7,3',4'-PENTAHYDROXYFLAVONE, DIOXOTHIOMOLYBDENUM(VI) ION, FE2/S2 (INORGANIC) CLUSTER, ...
著者Cao, H, Hille, R.
登録日2010-07-08
公開日2011-01-19
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献X-ray Crystal Structure of a Xanthine Oxidase Complex with the Flavonoid Inhibitor Quercetin.
J Nat Prod, 77, 2014
2D5I
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BU of 2d5i by Molmil
The crystal structure of AzoR (Azo Reductase) from Escherichia coli
分子名称: Azo Reductase, FLAVIN MONONUCLEOTIDE, GLYCEROL
著者Ito, K, Tanokura, M.
登録日2005-11-02
公開日2006-05-16
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Three-dimensional structure of AzoR from Escherichia coli. An oxidereductase conserved in microorganisms
J.Biol.Chem., 281, 2006
3V35
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Aldose reductase complexed with a nitro compound
分子名称: 2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl acetate, Aldose reductase, DIMETHYLFORMAMIDE, ...
著者Zheng, X, Zhang, L, Chen, Y, Luo, H, Hu, X.
登録日2011-12-13
公開日2012-08-29
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Partial inhibition of aldose reductase by nitazoxanide and its molecular basis.
Chemmedchem, 7, 2012
2ACU
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BU of 2acu by Molmil
TYROSINE-48 IS THE PROTON DONOR AND HISTIDINE-110 DIRECTS SUBSTRATE STEREOCHEMICAL SELECTIVITY IN THE REDUCTION REACTION OF HUMAN ALDOSE REDUCTASE: ENZYME KINETICS AND THE CRYSTAL STRUCTURE OF THE Y48H MUTANT ENZYME
分子名称: ALDOSE REDUCTASE, CITRIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Bohren, K.M, Grimshaw, C.E, Lai, C.-J, Gabbay, K.H, Petsko, G.A, Harrison, D.H, Ringe, D.
登録日1994-04-15
公開日1994-07-31
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Tyrosine-48 is the proton donor and histidine-110 directs substrate stereochemical selectivity in the reduction reaction of human aldose reductase: enzyme kinetics and crystal structure of the Y48H mutant enzyme.
Biochemistry, 33, 1994
4H0L
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BU of 4h0l by Molmil
Cytochrome b6f Complex Crystal Structure from Mastigocladus laminosus with n-Side Inhibitor NQNO
分子名称: (7R,17E)-4-HYDROXY-N,N,N,7-TETRAMETHYL-7-[(8E)-OCTADEC-8-ENOYLOXY]-10-OXO-3,5,9-TRIOXA-4-PHOSPHAHEPTACOS-17-EN-1-AMINIUM 4-OXIDE, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 2-NONYL-4-HYDROXYQUINOLINE N-OXIDE, ...
著者Hasan, S.S, Yamashita, E, Baniulis, D, Cramer, W.A.
登録日2012-09-08
公開日2013-02-13
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (3.25 Å)
主引用文献Quinone-dependent proton transfer pathways in the photosynthetic cytochrome b6f complex
Proc.Natl.Acad.Sci.USA, 110, 2013
4A1T
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BU of 4a1t by Molmil
Co-Complex of the of NS3-4A protease with the inhibitory peptide CP5- 46-A (in-House data)
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, BICARBONATE ION, CHLORIDE ION, ...
著者Schmelz, S, Kuegler, J, Collins, J, Heinz, D.W.
登録日2011-09-19
公開日2012-09-19
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献High Affinity Peptide Inhibitors of the Hepatitis C Virus Ns3-4A Protease Refractory to Common Resistant Mutants.
J.Biol.Chem., 287, 2012
3VED
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BU of 3ved by Molmil
Rhodococcus jostii RHA1 DypB D153H variant in complex with heme
分子名称: CHLORIDE ION, DypB, GLYCEROL, ...
著者Grigg, J.C, Singh, R, Armstrong, Z, Eltis, L.D, Murphy, M.E.P.
登録日2012-01-07
公開日2012-01-18
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Distal heme pocket residues of B-type dye-decolorizing peroxidase: arginine but not aspartate is essential for peroxidase activity.
J.Biol.Chem., 287, 2012
4JTR
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BU of 4jtr by Molmil
AKR1C2 complex with ibuprofen
分子名称: (2R)-2-[4-(2-methylpropyl)phenyl]propanoic acid, 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member C2, ...
著者Yosaatmadja, Y, Flanagan, J.U, Squire, C.J.
登録日2013-03-24
公開日2014-04-02
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Structural basis of NSAID selectivity for the AKR1C family
To be Published
2Z9C
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The crystal structure of AzoR (azoreductase) from Escherichia coli: AzoR in complex with dicoumarol
分子名称: BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2-BENZOPYRONE], FLAVIN MONONUCLEOTIDE, FMN-dependent NADH-azoreductase, ...
著者Ito, K.
登録日2007-09-18
公開日2008-03-11
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Expansion of Substrate Specificity and Catalytic Mechanism of Azoreductase by X-ray Crystallography and Site-directed Mutagenesis
J.Biol.Chem., 283, 2008
3VL2
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BU of 3vl2 by Molmil
3-isopropylmalate dehydrogenase from Shewanella oneidensis MR-1 at 160 MPa
分子名称: 3-ISOPROPYLMALIC ACID, 3-isopropylmalate dehydrogenase, CALCIUM ION, ...
著者Nagae, T, Watanabe, N.
登録日2011-11-29
公開日2012-02-29
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献High-pressure-induced water penetration into 3-isopropylmalate dehydrogenase
Acta Crystallogr.,Sect.D, 68, 2012
2ZBX
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BU of 2zbx by Molmil
Crystal structure of vitamin D hydroxylase cytochrome P450 105A1 (wild type) with imidazole bound
分子名称: Cytochrome P450-SU1, IMIDAZOLE, PROTOPORPHYRIN IX CONTAINING FE
著者Sugimoto, H, Shinkyo, R, Hayashi, K, Yoneda, S, Yamada, M, Kamakura, M, Ikushiro, S, Shiro, Y, Sakaki, T.
登録日2007-10-30
公開日2008-04-08
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal Structure of CYP105A1 (P450SU-1) in Complex with 1alpha,25-Dihydroxyvitamin D3
Biochemistry, 47, 2008
2A9B
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BU of 2a9b by Molmil
Crystal structure of R138Q mutant of recombinant sulfite oxidase at resting state
分子名称: CHLORIDE ION, MOLYBDENUM ATOM, PHOSPHONIC ACIDMONO-(2-AMINO-5,6-DIMERCAPTO-4-OXO-3,7,8A,9,10,10A-HEXAHYDRO-4H-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-7-YLMETHYL)ESTER, ...
著者Karakas, E, Wilson, H.L, Graf, T.N, Xiang, S, Jaramillo-Busquets, S, Rajagopalan, K.V, Kisker, C.
登録日2005-07-11
公開日2005-08-02
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.503 Å)
主引用文献Structural insights into sulfite oxidase deficiency
J.Biol.Chem., 280, 2005
2PIJ
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BU of 2pij by Molmil
Structure of the Cro protein from prophage Pfl 6 in Pseudomonas fluorescens Pf-5
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, BICARBONATE ION, Prophage Pfl 6 Cro, ...
著者Roessler, C.G, Roberts, S.A, Montfort, W.R, Cordes, M.H.J.
登録日2007-04-13
公開日2008-03-04
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Transitive homology-guided structural studies lead to discovery of Cro proteins with 40% sequence identity but different folds.
Proc.Natl.Acad.Sci.Usa, 105, 2008
3VL3
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3-isopropylmalate dehydrogenase from Shewanella oneidensis MR-1 at 340 MPa
分子名称: 3-ISOPROPYLMALIC ACID, 3-isopropylmalate dehydrogenase, CALCIUM ION, ...
著者Nagae, T, Watanabe, N.
登録日2011-11-29
公開日2012-02-29
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献High-pressure-induced water penetration into 3-isopropylmalate dehydrogenase
Acta Crystallogr.,Sect.D, 68, 2012
3NTO
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BU of 3nto by Molmil
Crystal structure of K97V mutant myo-inositol dehydrogenase from Bacillus subtilis
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Inositol 2-dehydrogenase/D-chiro-inositol 3-dehydrogenase
著者Van Straaten, K.E, Palmer, D.R.J, Sanders, D.A.R.
登録日2010-07-05
公開日2010-09-15
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.9124 Å)
主引用文献Structural investigation of myo-inositol dehydrogenase from Bacillus subtilis: implications for catalytic mechanism and inositol dehydrogenase subfamily classification.
Biochem.J., 432, 2010
4HA6
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BU of 4ha6 by Molmil
Crystal structure of pyridoxine 4-oxidase - pyridoxamine complex
分子名称: 4-(AMINOMETHYL)-5-(HYDROXYMETHYL)-2-METHYLPYRIDIN-3-OL, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
著者Mugo, A.N, Kobayashi, J, Mikami, B, Yagi, T.
登録日2012-09-25
公開日2013-06-05
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.095 Å)
主引用文献Crystal structure of pyridoxine 4-oxidase from Mesorhizobium loti.
Biochim.Biophys.Acta, 1834, 2013
4UM3
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Engineered Ls-AChBP with alpha4-alpha4 binding pocket in complex with NS3920
分子名称: 1-(6-bromopyridin-3-yl)-1,4-diazepane, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINE BINDING PROTEIN, ...
著者Shahsavar, A, Kastrup, J.S, Balle, T, Gajhede, M.
登録日2014-05-14
公開日2015-07-22
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.703 Å)
主引用文献Achbp Engineered to Mimic the Alpha4-Alpha4 Binding Pocket in Alpha4Beta2 Nicotinic Acetylcholine Receptors Reveals Interface Specific Interactions Important for Binding and Activity
Mol.Pharmacol., 88, 2015

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