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2FYU
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BU of 2fyu by Molmil
Crystal structure of bovine heart mitochondrial bc1 with jg144 inhibitor
分子名称: (5S)-3-ANILINO-5-(2,4-DIFLUOROPHENYL)-5-METHYL-1,3-OXAZOLIDINE-2,4-DIONE, Cytochrome b, Cytochrome c1, ...
著者Xia, D, Esser, L.
登録日2006-02-08
公開日2006-08-29
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Surface-modulated motion switch: Capture and release of iron-sulfur protein in the cytochrome bc1 complex.
Proc.Natl.Acad.Sci.Usa, 103, 2006
1S3E
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BU of 1s3e by Molmil
Crystal structure of MAOB in complex with 6-hydroxy-N-propargyl-1(R)-aminoindan
分子名称: (3R)-3-(PROP-2-YNYLAMINO)INDAN-5-OL, Amine oxidase [flavin-containing] B, FLAVIN-ADENINE DINUCLEOTIDE
著者Binda, C, Hubalek, F, Li, M, Herzig, Y, Sterling, J, Edmondson, D.E, Mattevi, A.
登録日2004-01-13
公開日2004-03-30
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal Structures of Monoamine Oxidase B in Complex with Four Inhibitors of the N-Propargylaminoindan Class.
J.Med.Chem., 47, 2004
3HF6
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BU of 3hf6 by Molmil
Crystal structure of human tryptophan hydroxylase type 1 with bound LP-521834 and FE
分子名称: 4-(4-amino-6-{[(1R)-1-naphthalen-2-ylethyl]amino}-1,3,5-triazin-2-yl)-L-phenylalanine, FE (III) ION, Tryptophan 5-hydroxylase 1
著者Tari, L.W, Swanson, R.V, Hunter, M.J.
登録日2009-05-11
公開日2009-11-24
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Mechanism of Inhibition of Novel Tryptophan Hydroxylase Inhibitors Revealed by Co-crystal Structures and Kinetic Analysis
Curr Chem Genomics, 4, 2010
6KAF
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BU of 6kaf by Molmil
C2S2M2N2-type PSII-LHCII
分子名称: (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ...
著者Chang, S.H, Shen, L.L, Huang, Z.H, Wang, W.D, Han, G.Y, Shen, J.R, Zhang, X.
登録日2019-06-22
公開日2019-10-23
最終更新日2025-09-17
実験手法ELECTRON MICROSCOPY (3.73 Å)
主引用文献Structure of a C2S2M2N2-type PSII-LHCII supercomplex from the green algaChlamydomonas reinhardtii.
Proc.Natl.Acad.Sci.USA, 116, 2019
3NH3
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BU of 3nh3 by Molmil
Complex of 6-hydroxy-L-nicotine oxidase with final ketone product formed during catalytic turnover
分子名称: (1R)-2-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(pentadecanoyloxy)methyl]ethyl (12E)-hexadeca-9,12-dienoate, 1-(6-hydroxypyridin-3-yl)-4-(methylamino)butan-1-one, 5-[(2S)-1-methylpyrrolidin-2-yl]pyridin-2-ol, ...
著者Kachalova, G.S, Bartunik, H.D.
登録日2010-06-14
公開日2011-03-23
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure analysis of free and substrate-bound 6-hydroxy-L-nicotine oxidase from Arthrobacter nicotinovorans.
J.Mol.Biol., 396, 2010
3NK0
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Complex of 6-hydroxy-L-nicotine oxidase with inhibitor bound at active site and turnover product at exit cavity
分子名称: (1R)-2-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(pentadecanoyloxy)methyl]ethyl (12E)-hexadeca-9,12-dienoate, 1-(6-hydroxypyridin-3-yl)-4-(methylamino)butan-1-one, 5-[(2R)-1-methylpyrrolidin-2-yl]pyridin-2-ol, ...
著者Kachalova, G.S, Bartunik, H.D.
登録日2010-06-18
公開日2011-03-23
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Crystal structure analysis of free and substrate-bound 6-hydroxy-L-nicotine oxidase from Arthrobacter nicotinovorans.
J.Mol.Biol., 396, 2010
4D3K
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BU of 4d3k by Molmil
Structure of Bacillus subtilis nitric oxide synthase in complex with 6,6'-((5-(3-aminopropyl)-1,3-phenylene)bis(ethane-2,1-diyl))bis(4- methylpyridin-2-amine)
分子名称: 6,6'-{[5-(3-aminopropyl)benzene-1,3-diyl]diethane-2,1-diyl}bis(4-methylpyridin-2-amine), CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Holden, J.K, Poulos, T.L.
登録日2014-10-22
公開日2015-01-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.017 Å)
主引用文献Structure-Based Design of Bacterial Nitric Oxide Synthase Inhibitors.
J.Med.Chem., 58, 2015
3N64
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BU of 3n64 by Molmil
Structure of neuronal nitric oxide synthase D597N mutant heme domain in complex with 6,6'-(2,2'-(5-amino-1,3-phenylene)bis(ethane-2,1-diyl))bis(4-methylpyridin-2-amine)
分子名称: 6,6'-[(5-aminobenzene-1,3-diyl)diethane-2,1-diyl]bis(4-methylpyridin-2-amine), ACETATE ION, CHLORIDE ION, ...
著者Li, H, Delker, S.L, Poulos, T.L.
登録日2010-05-25
公開日2011-02-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Role of zinc in isoform-selective inhibitor binding to neuronal nitric oxide synthase .
Biochemistry, 49, 2010
4JGD
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BU of 4jgd by Molmil
Crystal structure of human dihydroorotate dehydrogenase (DHODH) with DH03A016
分子名称: 1-[4-methyl-2-(naphthalen-2-ylamino)-1,3-thiazol-5-yl]ethanone, Dihydroorotate dehydrogenase (quinone), mitochondrial, ...
著者Zhu, L, Zhu, J, Ren, X, Li, H.
登録日2013-03-01
公開日2014-03-05
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Crystal structure of human dihydroorotate dehydrogenase (DHODH) with DH03A016
TO BE PUBLISHED
1SQB
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BU of 1sqb by Molmil
Crystal Structure Analysis of Bovine Bc1 with Azoxystrobin
分子名称: Cytochrome b, Cytochrome c1, heme protein, ...
著者Esser, L, Quinn, B, Li, Y.F, Zhang, M, Elberry, M, Yu, L, Yu, C.A, Xia, D.
登録日2004-03-18
公開日2004-09-07
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献Crystallographic studies of quinol oxidation site inhibitors: a modified classification of inhibitors for the cytochrome bc(1) complex
J.Mol.Biol., 341, 2004
1YCI
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BU of 1yci by Molmil
Factor inhibiting HIF-1 alpha in complex with N-(carboxycarbonyl)-D-phenylalanine
分子名称: FE (II) ION, Hypoxia-inducible factor 1 alpha inhibitor, N-(CARBOXYCARBONYL)-D-PHENYLALANINE, ...
著者McDonough, M.A, Schofield, C.J.
登録日2004-12-22
公開日2005-05-31
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Selective inhibition of factor inhibiting hypoxia-inducible factor
J.Am.Chem.Soc., 127, 2005
4RVY
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BU of 4rvy by Molmil
Serial Time resolved crystallography of Photosystem II using a femtosecond X-ray laser. The S state after two flashes (S3)
分子名称: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
著者Kupitz, C, Basu, S, Grotjohann, I, Fromme, R, Zatsepin, N, Rendek, K.N, Hunter, M, Shoeman, R.L, White, T.A, Wang, D, James, D, Yang, J.-H, Cobb, D.E, Reeder, B, Sierra, R.G, Liu, H, Barty, A, Aquila, A, Deponte, D, Kirian, R, Bari, S, Bergkamp, J.J, Beyerlein, K, Bogan, M.J, Caleman, C, Chao, T.-C, Conrad, C.E, Davis, K.M, Fleckenstein, H, Galli, L, Hau-Riege, S.P, Kassemeyer, S, Laksmono, H, Liang, M, Lomb, L, Marchesini, S, Martin, A.V, Messerschmidt, M, Milathianaki, D, Nass, K, Ros, A, Roy-Chowdhury, S, Schmidt, K, Seibert, M, Steinbrener, J, Stellato, F, Yan, L, Yoon, C, Moore, T.A, Moore, A.L, Pushkar, Y, Williams, G.J, Boutet, S, Doak, R.B, Weierstall, U, Frank, M, Chapman, H.N, Spence, J.C.H, Fromme, P.
登録日2014-11-29
公開日2015-11-04
最終更新日2024-11-27
実験手法X-RAY DIFFRACTION (5.5 Å)
主引用文献Serial time-resolved crystallography of photosystem II using a femtosecond X-ray laser.
Nature, 513, 2014
3P3P
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BU of 3p3p by Molmil
Factor inhibiting HIF-1 Alpha in complex with Notch 1 fragment mouse notch (1997-2016) peptide
分子名称: 2-OXOGLUTARIC ACID, FE (II) ION, GLYCEROL, ...
著者McDonough, M.A, Schofield, C.J.
登録日2010-10-05
公開日2010-11-24
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Asparaginyl hydroxylation of the Notch ankyrin repeat domain by factor inhibiting hypoxia-inducible factor
J.Biol.Chem., 282, 2007
1ICR
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BU of 1icr by Molmil
THE STRUCTURE OF ESCHERICHIA COLI NITROREDUCTASE COMPLEXED WITH NICOTINIC ACID
分子名称: FLAVIN MONONUCLEOTIDE, NICOTINIC ACID, OXYGEN-INSENSITIVE NAD(P)H NITROREDUCTASE
著者Lovering, A.L, Hyde, E.I, Searle, P.F, White, S.A.
登録日2001-04-02
公開日2001-04-18
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The structure of Escherichia coli nitroreductase complexed with nicotinic acid: three crystal forms at 1.7 A, 1.8 A and 2.4 A resolution.
J.Mol.Biol., 309, 2001
1ICU
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BU of 1icu by Molmil
THE STRUCTURE OF ESCHERICHIA COLI NITROREDUCTASE COMPLEXED WITH NICOTINIC ACID
分子名称: FLAVIN MONONUCLEOTIDE, NICOTINIC ACID, OXYGEN-INSENSITIVE NAD(P)H NITROREDUCTASE
著者Lovering, A.L, Hyde, E.I, Searle, P.F, White, S.A.
登録日2001-04-02
公開日2001-04-18
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The structure of Escherichia coli nitroreductase complexed with nicotinic acid: three crystal forms at 1.7 A, 1.8 A and 2.4 A resolution.
J.Mol.Biol., 309, 2001
3N6E
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BU of 3n6e by Molmil
Structure of endothelial nitric oxide synthase N368D mutant heme domain complexed with 6,6'-(2,2'-(5-amino-1,3-phenylene)bis(ethane-2,1-diyl))bis(4-methylpyridin-2-amine)
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 6,6'-[(5-aminobenzene-1,3-diyl)diethane-2,1-diyl]bis(4-methylpyridin-2-amine), ACETATE ION, ...
著者Delker, S.L, Li, H, Poulos, T.L.
登録日2010-05-25
公開日2011-02-09
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Role of zinc in isoform-selective inhibitor binding to neuronal nitric oxide synthase .
Biochemistry, 49, 2010
3N66
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Structure of neuronal nitric oxide synthase S602H mutant heme domain in complex with 6,6'-(2,2'-(5-amino-1,3-phenylene)bis(ethane-2,1-diyl))bis(4-methylpyridin-2-amine)
分子名称: 6,6'-[(5-aminobenzene-1,3-diyl)diethane-2,1-diyl]bis(4-methylpyridin-2-amine), ACETATE ION, CHLORIDE ION, ...
著者Li, H, Delker, S.L, Poulos, T.L.
登録日2010-05-25
公開日2011-02-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Role of zinc in isoform-selective inhibitor binding to neuronal nitric oxide synthase .
Biochemistry, 49, 2010
1J77
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Crystal Structure of Gram-negative Bacterial Heme Oxygenase Complexed with Heme
分子名称: HemO, PROTOPORPHYRIN IX CONTAINING FE
著者Schuller, D.J, Zhu, W, Stojiljkovic, I, Wilks, A, Poulos, T.L.
登録日2001-05-15
公開日2001-05-30
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal structure of heme oxygenase from the gram-negative pathogen Neisseria meningitidis and a comparison with mammalian heme oxygenase-1.
Biochemistry, 40, 2001
4K5K
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BU of 4k5k by Molmil
Structure of bovine endothelial nitric oxide synthase heme domain in complex with ((2S, 3S)-1,3-bis((6-(2,5-dimethyl-1H-pyrrol-1-yl)-4-methylpyridin-2-yl)methoxy)-2-aminobutane
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 6,6'-{[(2S,3S)-2-aminobutane-1,3-diyl]bis(oxymethanediyl)}bis(4-methylpyridin-2-amine), ACETATE ION, ...
著者Li, H, Poulos, T.L.
登録日2013-04-14
公開日2013-09-18
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Chiral linkers to improve selectivity of double-headed neuronal nitric oxide synthase inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
3FU9
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BU of 3fu9 by Molmil
Melanocarpus albomyces laccase crystal soaked (20 min) with 2,6-dimethoxyphenol
分子名称: 2,6-dimethoxybenzene-1,4-diol, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Kallio, J.P, Hakulinen, N, Rouvinen, J.
登録日2009-01-14
公開日2009-09-22
最終更新日2024-12-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-Function Studies of a Melanocarpus albomyces Laccase Suggest a Pathway for Oxidation of Phenolic Compounds.
J.Mol.Biol., 392, 2009
3TIK
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BU of 3tik by Molmil
Sterol 14-alpha demethylase (CYP51) from Trypanosoma brucei in complex with the tipifarnib derivative 6-((4-chlorophenyl)(methoxy)(1-methyl-1H-imidazol-5-yl)methyl)-4-(2,6-difluorophenyl)-1-methylquinolin-2(1H)-one
分子名称: 6-[(R)-(4-chlorophenyl)(methoxy)(1-methyl-1H-imidazol-5-yl)methyl]-4-(2,6-difluorophenyl)-1-methylquinolin-2(1H)-one, PROTOPORPHYRIN IX CONTAINING FE, sterol 14-alpha demethylase (CYP51)
著者Hargrove, T.Y, Wawrzak, Z, Kraus, J.M, Gelb, M.H, Buckner, F.S, Waterman, M.R, Lepesheva, G.I.
登録日2011-08-20
公開日2012-07-11
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Pharmacological characterization, structural studies, and in vivo activities of anti-chagas disease lead compounds derived from tipifarnib.
Antimicrob.Agents Chemother., 56, 2012
3P3N
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BU of 3p3n by Molmil
Factor inhibiting HIF-1 Alpha in complex with Notch 1 fragment mouse notch (1930-1949) peptide
分子名称: 2-OXOGLUTARIC ACID, FE (II) ION, GLYCEROL, ...
著者McDonough, M.A, Schofield, C.J.
登録日2010-10-05
公開日2010-11-24
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Asparaginyl hydroxylation of the Notch ankyrin repeat domain by factor inhibiting hypoxia-inducible factor
J.Biol.Chem., 282, 2007
4PJ0
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Structure of T.elongatus Photosystem II, rows of dimers crystal packing
分子名称: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
著者Hellmich, J, Bommer, M, Burkhardt, A, Ibrahim, M, Kern, J, Meents, A, Mueh, F, Dobbek, H, Zouni, A.
登録日2014-05-10
公開日2014-10-22
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.437 Å)
主引用文献Native-like Photosystem II Superstructure at 2.44 angstrom Resolution through Detergent Extraction from the Protein Crystal.
Structure, 22, 2014
2C67
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MAO inhibition by rasagiline analogues
分子名称: AMINE OXIDASE (FLAVIN-CONTAINING) B, FLAVIN-ADENINE DINUCLEOTIDE, N-METHYL-1(R)-AMINOINDAN
著者Binda, C, Hubalek, F, Li, M, Herzig, Y, Sterling, J, Edmondson, D.E, Mattevi, A.
登録日2005-11-07
公開日2006-01-04
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Binding of Rasagiline-Related Inhibitors to Human Monoamine Oxidases: A Kinetic and Crystallographic Analysis.
J.Med.Chem., 48, 2005
3CXH
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Structure of yeast complex III with isoform-2 cytochrome c bound and definition of a minimal core interface for electron transfer.
分子名称: (1R)-2-(dodecanoyloxy)-1-[(phosphonooxy)methyl]ethyl tetradecanoate, (1R)-2-(phosphonooxy)-1-[(tridecanoyloxy)methyl]ethyl pentadecanoate, (1R)-2-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(heptanoyloxy)methyl]ethyl octadecanoate, ...
著者Solmaz, S.R.N, Hunte, C.
登録日2008-04-24
公開日2008-05-13
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure of complex III with bound cytochrome c in reduced state and definition of a minimal core interface for electron transfer.
J.Biol.Chem., 283, 2008

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