8JS7
 
 | | Dimeric PAS domains of oxygen sensor FixL in complex with imidazole-bound heme | | 分子名称: | GLYCEROL, IMIDAZOLE, PROTOPORPHYRIN IX CONTAINING FE, ... | | 著者 | Kamaya, M, Koteishi, H, Sawai, H, Sugimoto, H, Shiro, Y. | | 登録日 | 2023-06-19 | | 公開日 | 2024-06-26 | | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | | 主引用文献 | Dimeric PAS domains of oxygen sensor FixL in complex with imidazole-bound heme.
To be published
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8JS6
 | | Dimeric PAS domains of oxygen sensor FixL in complex with cyanide-bound ferric heme | | 分子名称: | CYANIDE ION, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ... | | 著者 | Kamaya, M, Koteishi, H, Sawai, H, Sugimoto, H, Shiro, Y. | | 登録日 | 2023-06-19 | | 公開日 | 2024-06-26 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Dimeric PAS domains of oxygen sensor FixL in complex with imidazole-bound heme.
To be published
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5UNE
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9EZJ
 | | Apo human TDO in complex with a bound inhibitor (Cpd-4) | | 分子名称: | Tryptophan 2,3-dioxygenase, alpha-methyl-L-tryptophan, ethyl (9~{R})-2-methoxy-4-oxidanylidene-9-[[(1~{S})-1-phenylethyl]-[(2-propan-2-ylphenyl)carbamoyl]amino]-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carboxylate | | 著者 | Wicki, M, Mac Sweeney, A. | | 登録日 | 2024-04-12 | | 公開日 | 2024-06-05 | | 実験手法 | X-RAY DIFFRACTION (2.612 Å) | | 主引用文献 | Discovery and binding mode of small molecule inhibitors of the apo form of human TDO2
To Be Published
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1Q44
 | | Crystal Structure of an Arabidopsis Thaliana Putative Steroid Sulfotransferase | | 分子名称: | MALONIC ACID, Steroid Sulfotransferase | | 著者 | Phillips Jr, G.N, Smith, D.W, Johnson, K.A, Bingman, C.A, Center for Eukaryotic Structural Genomics (CESG) | | 登録日 | 2003-08-01 | | 公開日 | 2003-11-25 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Crystal structure of At2g03760, a putative steroid sulfotransferase from Arabidopsis thaliana
Proteins, 57, 2004
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3AD8
 | | Heterotetrameric Sarcosine Oxidase from Corynebacterium sp. U-96 in complex with pyrrole 2-carboxylate | | 分子名称: | FLAVIN MONONUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | 著者 | Suzuki, H, Moriguchi, T, Ida, K. | | 登録日 | 2010-01-15 | | 公開日 | 2010-08-25 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Channeling and conformational changes in the heterotetrameric sarcosine oxidase from Corynebacterium sp. U-96.
J.Biochem., 148, 2010
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3ADA
 | | Heterotetrameric Sarcosine Oxidase from Corynebacterium sp. U-96 in complex with sulfite | | 分子名称: | FLAVIN MONONUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | 著者 | Suzuki, H, Moriguchi, T, Ida, K. | | 登録日 | 2010-01-15 | | 公開日 | 2010-08-25 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Channeling and conformational changes in the heterotetrameric sarcosine oxidase from Corynebacterium sp. U-96.
J.Biochem., 148, 2010
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3AD9
 | | Heterotetrameric Sarcosine Oxidase from Corynebacterium sp. U-96 sarcosine-reduced form | | 分子名称: | FLAVIN MONONUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | 著者 | Suzuki, H, Moriguchi, T, Ida, K. | | 登録日 | 2010-01-15 | | 公開日 | 2010-08-25 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Channeling and conformational changes in the heterotetrameric sarcosine oxidase from Corynebacterium sp. U-96.
J.Biochem., 148, 2010
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3AD7
 | | Heterotetrameric Sarcosine Oxidase from Corynebacterium sp. U-96 in complex with methylthio acetate | | 分子名称: | FLAVIN MONONUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | 著者 | Suzuki, H, Moriguchi, T, Ida, K. | | 登録日 | 2010-01-15 | | 公開日 | 2010-08-25 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Channeling and conformational changes in the heterotetrameric sarcosine oxidase from Corynebacterium sp. U-96.
J.Biochem., 148, 2010
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8R5R
 | | Structure of apo TDO with a bound inhibitor | | 分子名称: | 3-chloranyl-~{N}-[(1~{S})-1-(6-chloranylpyridin-3-yl)-2-phenyl-ethyl]aniline, Tryptophan 2,3-dioxygenase, alpha-methyl-L-tryptophan | | 著者 | Wicki, M, Mac Sweeney, A. | | 登録日 | 2023-11-17 | | 公開日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (3.078 Å) | | 主引用文献 | Discovery and binding mode of a small molecule inhibitor of the apo form of human TDO2
Biorxiv, 2024
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8QV7
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8R5Q
 | | Structure of apo TDO with a bound inhibitor | | 分子名称: | 3-chloranyl-~{N}-[(1~{S})-1-(6-chloranylpyridin-3-yl)-2-phenyl-ethyl]aniline, Tryptophan 2,3-dioxygenase, alpha-methyl-L-tryptophan | | 著者 | Wicki, M, Mac Sweeney, A. | | 登録日 | 2023-11-17 | | 公開日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.62 Å) | | 主引用文献 | Discovery and binding mode of a small molecule inhibitor of the apo form of human TDO2
Biorxiv, 2024
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8R12
 | | Structure of compound 8 bound to SARS-CoV-2 main protease | | 分子名称: | 2-[[4-(5-chloranylpyridin-3-yl)carbonyl-1,4-diazepan-1-yl]methyl]benzenecarbonitrile, 3C-like proteinase, CHLORIDE ION, ... | | 著者 | Mac Sweeney, A, Hazemann, J. | | 登録日 | 2023-11-01 | | 公開日 | 2024-02-07 | | 最終更新日 | 2024-07-03 | | 実験手法 | X-RAY DIFFRACTION (1.587 Å) | | 主引用文献 | Identification of SARS-CoV-2 Mpro inhibitors through deep reinforcement learning for de novo drug design and computational chemistry approaches.
Rsc Med Chem, 15, 2024
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8R11
 | | Structure of compound 7 bound to SARS-CoV-2 main protease | | 分子名称: | 1,2-ETHANEDIOL, 1-[(2~{S})-2-(3-chlorophenyl)pyrrolidin-1-yl]-2-(5-methylpyridin-3-yl)ethanone, 3C-like proteinase, ... | | 著者 | Mac Sweeney, A, Hazemann, J. | | 登録日 | 2023-11-01 | | 公開日 | 2024-02-07 | | 最終更新日 | 2024-07-03 | | 実験手法 | X-RAY DIFFRACTION (1.31 Å) | | 主引用文献 | Identification of SARS-CoV-2 Mpro inhibitors through deep reinforcement learning for de novo drug design and computational chemistry approaches.
Rsc Med Chem, 15, 2024
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3AWK
 | | Crystal structure of the polyketide synthase 1 from huperzia serrata | | 分子名称: | Chalcone synthase-like polyketide synthase, GLYCEROL, SULFATE ION | | 著者 | Morita, H, Kondo, S, Kato, R, Sugio, S, Kohno, T, Abe, I. | | 登録日 | 2011-03-23 | | 公開日 | 2011-08-31 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Synthesis of unnatural alkaloid scaffolds by exploiting plant polyketide synthase.
Proc.Natl.Acad.Sci.USA, 108, 2011
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3AWJ
 | | Crystal structure of the Huperzia serrata polyketide synthase 1 complexed with CoA-SH | | 分子名称: | COENZYME A, Chalcone synthase-like polyketide synthase, SULFATE ION | | 著者 | Morita, H, Kondo, S, Kato, R, Sugio, S, Kohno, T, Abe, I. | | 登録日 | 2011-03-23 | | 公開日 | 2011-08-31 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Synthesis of unnatural alkaloid scaffolds by exploiting plant polyketide synthase.
Proc.Natl.Acad.Sci.USA, 108, 2011
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7FB7
 | | Crystal structure of human UHRF1 TTD in complex with 5-amino-2,4-dimethylpyridine | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 5-amino-2,4-dimethylpyridine, DIMETHYL SULFOXIDE, ... | | 著者 | Kori, S, Arita, K, Yoshimi, S. | | 登録日 | 2021-07-08 | | 公開日 | 2022-01-05 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Structure-based screening combined with computational and biochemical analyses identified the inhibitor targeting the binding of DNA Ligase 1 to UHRF1.
Bioorg.Med.Chem., 52, 2021
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6KSM
 | | Staphylococcus aureus lipase -Orlistat complex | | 分子名称: | (2S,3S,5S)-5-[(N-FORMYL-L-LEUCYL)OXY]-2-HEXYL-3-HYDROXYHEXADECANOIC ACID, CALCIUM ION, LAURIC ACID, ... | | 著者 | Kitadokoro, K, Tanaka, M, Kamitani, S. | | 登録日 | 2019-08-24 | | 公開日 | 2020-04-08 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.23 Å) | | 主引用文献 | Crystal structure of pathogenic Staphylococcus aureus lipase complex with the anti-obesity drug orlistat.
Sci Rep, 10, 2020
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6KSI
 | | Staphylococcus aureus lipase - native | | 分子名称: | CALCIUM ION, HEXANOIC ACID, LAURIC ACID, ... | | 著者 | Kitadokoro, K, Tanaka, M, Kamitani, S. | | 登録日 | 2019-08-24 | | 公開日 | 2020-04-08 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.08 Å) | | 主引用文献 | Crystal structure of pathogenic Staphylococcus aureus lipase complex with the anti-obesity drug orlistat.
Sci Rep, 10, 2020
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2Q3M
 | | Ensemble refinement of the protein crystal structure of an Arabidopsis thaliana putative steroid sulphotransferase | | 分子名称: | Flavonol sulfotransferase-like, MALONIC ACID | | 著者 | Levin, E.J, Kondrashov, D.A, Wesenberg, G.E, Phillips Jr, G.N, Center for Eukaryotic Structural Genomics (CESG) | | 登録日 | 2007-05-30 | | 公開日 | 2007-06-19 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Ensemble refinement of protein crystal structures: validation and application.
Structure, 15, 2007
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7BUL
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1VJI
 | | Gene Product of At1g76680 from Arabidopsis thaliana | | 分子名称: | 12-oxophytodienoate reductase (OPR1), FLAVIN MONONUCLEOTIDE | | 著者 | Wesenberg, G.E, Smith, D.W, Phillips Jr, G.N, Johnson, K.A, Bingman, C.A, Center for Eukaryotic Structural Genomics (CESG) | | 登録日 | 2004-02-24 | | 公開日 | 2004-03-16 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.003 Å) | | 主引用文献 | X-ray structure of Arabidopsis At1g77680, 12-oxophytodienoate reductase isoform 1.
Proteins, 61, 2005
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5YOJ
 | | Structure of A17 HIV-1 Protease in Complex with Inhibitor KNI-1657 | | 分子名称: | (4R)-N-[(2,6-dimethylphenyl)methyl]-3-[(2S,3S)-3-[[(2S)-2-[(7-methoxy-1-benzofuran-2-yl)carbonylamino]-2-[(3R)-oxolan-3 -yl]ethanoyl]amino]-2-oxidanyl-4-phenyl-butanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide, A17 HIV-1 protease, GLYCEROL | | 著者 | Adachi, M, Hidaka, K, Kuroki, R, Kiso, Y. | | 登録日 | 2017-10-29 | | 公開日 | 2018-07-11 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Identification of Highly Potent Human Immunodeficiency Virus Type-1 Protease Inhibitors against Lopinavir and Darunavir Resistant Viruses from Allophenylnorstatine-Based Peptidomimetics with P2 Tetrahydrofuranylglycine.
J. Med. Chem., 61, 2018
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3WGE
 | | Crystal structure of ERp46 Trx2 | | 分子名称: | GLYCEROL, Thioredoxin domain-containing protein 5 | | 著者 | Inaba, K, Suzuki, M, Kojima, R. | | 登録日 | 2013-08-04 | | 公開日 | 2014-06-25 | | 実験手法 | X-RAY DIFFRACTION (0.95 Å) | | 主引用文献 | Radically different thioredoxin domain arrangement of ERp46, an efficient disulfide bond introducer of the mammalian PDI family
Structure, 22, 2014
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3WGD
 | | Crystal structure of ERp46 Trx1 | | 分子名称: | GLYCEROL, PHOSPHATE ION, POTASSIUM ION, ... | | 著者 | Inaba, K, Suzuki, M, Kojima, R. | | 登録日 | 2013-08-04 | | 公開日 | 2014-06-25 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Radically different thioredoxin domain arrangement of ERp46, an efficient disulfide bond introducer of the mammalian PDI family
Structure, 22, 2014
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