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7Q05
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BU of 7q05 by Molmil
Crystal structure of TPADO in complex with TPA
分子名称: FE (III) ION, FE2/S2 (INORGANIC) CLUSTER, Lysozyme, ...
著者Zahn, M, Kincannon, W.M, DuBois, J.L, McGeehan, J.E.
登録日2021-10-14
公開日2022-03-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Biochemical and structural characterization of an aromatic ring-hydroxylating dioxygenase for terephthalic acid catabolism.
Proc.Natl.Acad.Sci.USA, 119, 2022
2R9Z
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BU of 2r9z by Molmil
Glutathione amide reductase from Chromatium gracile
分子名称: CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, Glutathione amide reductase, ...
著者Van Petegem, F, Vergauwen, B, Savvides, S, De Vos, D, Van Beeumen, J.
登録日2007-09-14
公開日2008-02-19
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Understanding nicotinamide dinucleotide cofactor and substrate specificity in class I flavoprotein disulfide oxidoreductases: crystallographic analysis of a glutathione amide reductase.
J.Mol.Biol., 374, 2007
6IIH
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BU of 6iih by Molmil
crystal structure of mitochondrial calcium uptake 2(MICU2)
分子名称: CALCIUM ION, Endolysin,Calcium uptake protein 2, mitochondrial
著者Shen, Q, Wu, W, Zheng, J, Jia, Z.
登録日2018-10-06
公開日2019-08-14
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.958 Å)
主引用文献The crystal structure of MICU2 provides insight into Ca2+binding and MICU1-MICU2 heterodimer formation.
Embo Rep., 20, 2019
2RB1
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BU of 2rb1 by Molmil
2-ethoxyphenol in complex with T4 lysozyme L99A
分子名称: 2-ethoxyphenol, Lysozyme, PHOSPHATE ION
著者Graves, A.P, Boyce, S.E, Shoichet, B.K.
登録日2007-09-17
公開日2008-06-03
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Rescoring docking hit lists for model cavity sites: predictions and experimental testing
J.Mol.Biol., 377, 2008
6A36
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BU of 6a36 by Molmil
Mandelate oxidase mutant-Y128F with the 3-fluoropyruvic acid FMN adduct
分子名称: 1-deoxy-1-{5-[(1S)-2-fluoro-1-hydroxyethyl]-7,8-dimethyl-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl}-5-O-phosphono-D-ribitol, 1-{5-[(3S)-3-carboxy-4-fluoro-3-hydroxybutanoyl]-7,8-dimethyl-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl}-1-deoxy-5-O-phosphono-D-ribitol, 4-hydroxymandelate oxidase
著者Li, T.L, Lin, K.H.
登録日2018-06-15
公開日2019-06-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Structural and chemical trapping of flavin-oxide intermediates reveals substrate-directed reaction multiplicity.
Protein Sci., 29, 2020
7Q2A
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BU of 7q2a by Molmil
Crystal structure of AphC in complex with 4-ethylcatechol
分子名称: 4-ethylbenzene-1,2-diol, CALCIUM ION, Catechol 2,3-dioxygenase, ...
著者Zahn, M, Grigg, J.C, Eltis, L.D, McGeehan, J.E.
登録日2021-10-25
公開日2022-04-06
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Characterization of a phylogenetically distinct extradiol dioxygenase involved in the bacterial catabolism of lignin-derived aromatic compounds.
J.Biol.Chem., 298, 2022
5ZZR
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BU of 5zzr by Molmil
The crystal structure of Mandelate oxidase with (S)-mandelic acid
分子名称: (S)-MANDELIC ACID, 4-hydroxymandelate oxidase, FLAVIN MONONUCLEOTIDE
著者Li, T.L, Lin, K.H.
登録日2018-06-04
公開日2019-06-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.31 Å)
主引用文献The flavin mononucleotide cofactor in alpha-hydroxyacid oxidases exerts its electrophilic/nucleophilic duality in control of the substrate-oxidation level.
Acta Crystallogr D Struct Biol, 75, 2019
5ZZX
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BU of 5zzx by Molmil
The crystal structure of Mandelate oxidase mutant Y128F with (R)-mandelic acid
分子名称: (R)-MANDELIC ACID, 4-hydroxymandelate oxidase, FLAVIN MONONUCLEOTIDE
著者Li, T.L, Lin, K.H.
登録日2018-06-04
公開日2019-06-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Biochemical and structural explorations of alpha-hydroxyacid oxidases reveal a four-electron oxidative decarboxylation reaction.
Acta Crystallogr D Struct Biol, 75, 2019
6A41
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BU of 6a41 by Molmil
Dehalogenation enzyme
分子名称: dehalogenase
著者Yin, B, Yuan, A.Y.
登録日2018-06-18
公開日2019-06-19
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Structure of a new dehalogenase at 1.9 Angstroms resolution
To Be Published
6A00
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BU of 6a00 by Molmil
The crystal structure of Mandelate oxidase with (S)-2-phenylpropionate
分子名称: (2~{S})-2-phenylpropanoic acid, 4-hydroxymandelate oxidase, FLAVIN MONONUCLEOTIDE, ...
著者Li, T.L, Lin, K.H.
登録日2018-06-05
公開日2019-06-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Biochemical and structural explorations of alpha-hydroxyacid oxidases reveal a four-electron oxidative decarboxylation reaction.
Acta Crystallogr D Struct Biol, 75, 2019
4LN1
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BU of 4ln1 by Molmil
CRYSTAL STRUCTURE OF L-lactate dehydrogenase from Bacillus cereus ATCC 14579 complexed with calcium, NYSGRC Target 029452
分子名称: CALCIUM ION, L-lactate dehydrogenase 1
著者Malashkevich, V.N, Bonanno, J.B, Bhosle, R, Toro, R, Hillerich, B, Gizzi, A, Garforth, S, Kar, A, Chan, M.K, Lafluer, J, Patel, H, Matikainen, B, Chamala, S, Lim, S, Celikgil, A, Villegas, G, Evans, B, Love, J, Fiser, A, Khafizov, K, Seidel, R, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
登録日2013-07-11
公開日2013-07-24
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of L-lactate dehydrogenase from Bacillus cereus ATCC 14579 complexed with calcium, NYSGRC Target 029452
To be Published
3HF2
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BU of 3hf2 by Molmil
Crystal structure of the I401P mutant of cytochrome P450 BM3
分子名称: Bifunctional P-450/NADPH-P450 reductase, PROTOPORPHYRIN IX CONTAINING FE
著者Yang, W, Whitehouse, C.J.C, Bell, S.G, Bartlam, M, Wong, L.L, Rao, Z.
登録日2009-05-10
公開日2009-06-30
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献A Highly Active Single-Mutation Variant of P450(BM3) (CYP102A1)
Chembiochem, 10, 2009
6IH8
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BU of 6ih8 by Molmil
Crystal structure of Phosphite Dehydrogenase mutant I151R/P176R/M207A from Ralstonia sp. 4506
分子名称: Phosphite dehydrogenase
著者Song, X, Feng, Y, Liu, Y, Zhao, Z.
登録日2018-09-28
公開日2019-03-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structural Insights into Phosphite Dehydrogenase Variants Favoring a Non-natural Redox Cofactor
Acs Catalysis, 9, 2019
2RDB
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BU of 2rdb by Molmil
X-ray Crystal Structure of Toluene/o-Xylene Monooxygenase Hydroxylase I100W Mutant
分子名称: 3[N-MORPHOLINO]PROPANE SULFONIC ACID, FE (III) ION, GLYCEROL, ...
著者Murray, L.J, Garcia-Serres, R, McCormick, M.S, Davydov, R, Naik, S, Hoffman, B.M, Huynh, B.H, Lippard, S.J.
登録日2007-09-21
公開日2007-12-18
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Dioxygen activation at non-heme diiron centers: oxidation of a proximal residue in the I100W variant of toluene/o-xylene monooxygenase hydroxylase.
Biochemistry, 46, 2007
7PVJ
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BU of 7pvj by Molmil
Crystal structure of Thioredoxin Reductase from Brugia Malayi in complex with auranofin
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2'-MONOPHOSPHOADENOSINE-5'-DIPHOSPHATE, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Fata, F, Ardini, M, Silvestri, I, Gabriele, F, Ippoliti, R, Gencheva, R, Cheng, Q, Arner, E.S.J, Angelucci, F, Williams, D.L.
登録日2021-10-04
公開日2022-04-06
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Biochemical and structural characterizations of thioredoxin reductase selenoproteins of the parasitic filarial nematodes Brugia malayi and Onchocerca volvulus.
Redox Biol, 51, 2022
6A18
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BU of 6a18 by Molmil
Crystal structure of CYP90B1 in complex with 1,6-hexandiol
分子名称: CHLORIDE ION, Cytochrome P450 90B1, GLYCEROL, ...
著者Fujiyama, K, Hino, T, Kanadani, M, Mizutani, M, Nagano, S.
登録日2018-06-06
公開日2019-06-12
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Structural insights into a key step of brassinosteroid biosynthesis and its inhibition.
Nat.Plants, 5, 2019
3HG3
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BU of 3hg3 by Molmil
Human alpha-galactosidase catalytic mechanism 2. Substrate bound
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-galactosidase A, ...
著者Guce, A.I, Clark, N.E, Garman, S.C.
登録日2009-05-13
公開日2009-11-24
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Catalytic mechanism of human alpha-galactosidase.
J.Biol.Chem., 285, 2010
4L4V
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BU of 4l4v by Molmil
Structure of human MAIT TCR in complex with human MR1-RL-6-Me-7-OH
分子名称: 1-deoxy-1-(7-hydroxy-6-methyl-2,4-dioxo-3,4-dihydropteridin-8(2H)-yl)-D-ribitol, Beta-2-microglobulin, GLYCEROL, ...
著者Patel, O, Kjer-Nielsen, L, Le Nours, J, Eckle, S.B.G, Birkinshaw, R.W, Beddoe, T, Corbett, A.J, Liu, L, Miles, J.J, Meehan, B, Reantragoon, R, Sandoval-Romero, M.L, Sullivan, L.C, Brooks, A.G, Chen, Z, Fairlie, D.P, McCluskey, J, Rossjohn, J.
登録日2013-06-09
公開日2013-07-17
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Recognition of vitamin B metabolites by mucosal-associated invariant T cells.
Nat Commun, 4, 2013
3ES9
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BU of 3es9 by Molmil
NADPH-Cytochrome P450 Reductase in an Open Conformation
分子名称: FLAVIN MONONUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Hamdane, D, Xia, C, Im, S.-C, Zhang, H, Kim, J.-J, Waskell, L.
登録日2008-10-05
公開日2009-01-20
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Structure and function of an NADPH-cytochrome P450 oxidoreductase in an open conformation capable of reducing cytochrome P450
J.Biol.Chem., 284, 2009
5X5U
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BU of 5x5u by Molmil
Crystal structure of alpha-ketoglutarate-semialdehyde dehydrogenase (KGSADH) complexed with NAD
分子名称: Alpha-ketoglutaric semialdehyde dehydrogenase, GLYCEROL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Son, H.-F, Kim, K.-J.
登録日2017-02-17
公開日2017-05-10
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural insights into the production of 3-hydroxypropionic acid by aldehyde dehydrogenase from Azospirillum brasilense.
Sci Rep, 7, 2017
2RFY
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BU of 2rfy by Molmil
Crystal structure of cellobiohydrolase from Melanocarpus albomyces complexed with cellobiose
分子名称: Cellulose 1,4-beta-cellobiosidase, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose
著者Parkkinen, T, Koivula, A, Vehmaanper, J, Rouvinen, J.
登録日2007-10-02
公開日2008-09-16
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structures of Melanocarpus albomyces cellobiohydrolase Cel7B in complex with cello-oligomers show high flexibility in the substrate binding
Protein Sci., 17, 2008
3EGJ
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BU of 3egj by Molmil
N-acetylglucosamine-6-phosphate deacetylase from Vibrio cholerae.
分子名称: N-acetylglucosamine-6-phosphate deacetylase, NICKEL (II) ION, SULFATE ION
著者Osipiuk, J, Maltseva, N, Stam, J, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2008-09-10
公開日2008-09-23
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献X-ray crystal structure of N-acetylglucosamine-6-phosphate deacetylase from Vibrio cholerae.
To be Published
7Q04
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BU of 7q04 by Molmil
Crystal structure of TPADO in a substrate-free state
分子名称: FE (III) ION, FE2/S2 (INORGANIC) CLUSTER, Lysozyme, ...
著者Zahn, M, Kincannon, W.M, DuBois, J.L, McGeehan, J.E.
登録日2021-10-14
公開日2022-04-06
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.281 Å)
主引用文献Biochemical and structural characterization of an aromatic ring-hydroxylating dioxygenase for terephthalic acid catabolism.
Proc.Natl.Acad.Sci.USA, 119, 2022
6IJC
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BU of 6ijc by Molmil
Structure of MMPA-CoA dehydrogenase from Roseovarius nubinhibens ISM
分子名称: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Acyl-CoA dehydrogenase family protein
著者Shao, X, Yuan, Z.L, Cao, H.Y, Wang, P, Li, C.Y, Chen, X.L, Zhang, Y.Z.
登録日2018-10-09
公開日2019-07-03
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Mechanistic insight into 3-methylmercaptopropionate metabolism and kinetical regulation of demethylation pathway in marine dimethylsulfoniopropionate-catabolizing bacteria.
Mol.Microbiol., 111, 2019
2IJ4
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Structure of the A264K mutant of cytochrome P450 BM3
分子名称: PROTOPORPHYRIN IX CONTAINING FE, cytochrome P450 BM3
著者Toogood, H.S, Leys, D.
登録日2006-09-29
公開日2006-11-07
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural and spectroscopic characterization of P450 BM3 mutants with unprecedented P450 heme iron ligand sets. New heme ligation states influence conformational equilibria in P450 BM3.
J.Biol.Chem., 282, 2007

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