3WFB
| Reduced cytochrome c-dependent nitric oxide reductase (cNOR) from Pseudomonas aeruginosa in complex with antibody fragment | 分子名称: | CALCIUM ION, CHLORIDE ION, FE (III) ION, ... | 著者 | Sato, N, Ishii, S, Hino, T, Sugimoto, H, Fukumori, Y, Shiro, Y, Tosha, T. | 登録日 | 2013-07-18 | 公開日 | 2014-05-28 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Structures of reduced and ligand-bound nitric oxide reductase provide insights into functional differences in respiratory enzymes. Proteins, 82, 2014
|
|
3W8O
| Crystal Structure of HasAp with Iron Phthalocyanine | 分子名称: | Heme acquisition protein HasAp, [29H,31H-phthalocyaninato(2-)-kappa~4~N~29~,N~30~,N~31~,N~32~]iron | 著者 | Shirataki, C, Shoji, O, Terada, M, Sugimoto, H, Shiro, Y, Watanabe, Y. | 登録日 | 2013-03-20 | 公開日 | 2014-01-29 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Inhibition of Heme Uptake in Pseudomonas aeruginosa by its Hemophore (HasAp ) Bound to Synthetic Metal Complexes Angew.Chem.Int.Ed.Engl., 53, 2014
|
|
3W8M
| Crystal Structure of HasAp with Iron Salophen | 分子名称: | 2,2'-[1,2-PHENYLENEBIS(NITRILOMETHYLIDYNE)]BIS[PHENOLATO]](2-)-N,N',O,O']-IRON, Heme acquisition protein HasAp | 著者 | Shirataki, C, Shoji, O, Sugimoto, H, Shiro, Y, Watanabe, Y. | 登録日 | 2013-03-19 | 公開日 | 2014-01-29 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.46 Å) | 主引用文献 | Inhibition of Heme Uptake in Pseudomonas aeruginosa by its Hemophore (HasAp ) Bound to Synthetic Metal Complexes Angew.Chem.Int.Ed.Engl., 53, 2014
|
|
3WHN
| Hemerythrin-like domain of DcrH I119H mutant (met) | 分子名称: | CALCIUM ION, CHLORO DIIRON-OXO MOIETY, Hemerythrin-like domain protein DcrH | 著者 | Okamoto, Y, Onoda, A, Sugimoto, H, Takano, Y, Hirota, S, Kurtz Jr, D.M, Shiro, Y, Hayashi, T. | 登録日 | 2013-08-29 | 公開日 | 2014-02-26 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | H2O2-dependent substrate oxidation by an engineered diiron site in a bacterial hemerythrin. Chem.Commun.(Camb.), 50, 2014
|
|
3AWM
| Cytochrome P450SP alpha (CYP152B1) wild-type with palmitic acid | 分子名称: | (4R)-2-METHYLPENTANE-2,4-DIOL, Fatty acid alpha-hydroxylase, PALMITIC ACID, ... | 著者 | Fujishiro, T, Shoji, O, Nagano, S, Sugimoto, H, Shiro, Y, Watanabe, Y. | 登録日 | 2011-03-25 | 公開日 | 2011-06-29 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Crystal structure of H2O2-dependent cytochrome P450SPalpha with its bound fatty acid substrate: insight into the regioselective hydroxylation of fatty acids at the alpha position J.Biol.Chem., 286, 2011
|
|
3AWP
| Cytochrome P450SP alpha (CYP152B1) mutant F288G | 分子名称: | (4R)-2-METHYLPENTANE-2,4-DIOL, Fatty acid alpha-hydroxylase, PALMITIC ACID, ... | 著者 | Fujishiro, T, Shoji, O, Nagano, S, Sugimoto, H, Shiro, Y, Watanabe, Y. | 登録日 | 2011-03-25 | 公開日 | 2011-06-29 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Crystal structure of H2O2-dependent cytochrome P450SPalpha with its bound fatty acid substrate: insight into the regioselective hydroxylation of fatty acids at the alpha position. J.Biol.Chem., 286, 2011
|
|
3AWQ
| Cytochrome P450SP alpha (CYP152B1) mutant L78F | 分子名称: | Fatty acid alpha-hydroxylase, PALMITIC ACID, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Fujishiro, T, Shoji, O, Nagano, S, Sugimoto, H, Shiro, Y, Watanabe, Y. | 登録日 | 2011-03-25 | 公開日 | 2011-06-29 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Crystal structure of H2O2-dependent cytochrome P450SPalpha with its bound fatty acid substrate: insight into the regioselective hydroxylation of fatty acids at the alpha position. J.Biol.Chem., 286, 2011
|
|
3AGT
| Hemerythrin-like domain of DcrH (met) | 分子名称: | CHLORO DIIRON-OXO MOIETY, Hemerythrin-like domain protein DcrH | 著者 | Onoda, A, Okamoto, Y, Sugimoto, H, Mizohata, E, Inoue, T, Shiro, Y, Hayashi, T. | 登録日 | 2010-04-06 | 公開日 | 2011-04-06 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Characteristics of Diiron Site with Large Cavity in Hemerythrin-like Domain of DcrH to be published
|
|
3AGU
| Hemerythrin-like domain of DcrH (semimet-R) | 分子名称: | CHLORO DIIRON-OXO MOIETY, Hemerythrin-like domain protein DcrH | 著者 | Onoda, A, Okamoto, Y, Sugimoto, H, Mizohata, E, Inoue, T, Shiro, Y, Hayashi, T. | 登録日 | 2010-04-06 | 公開日 | 2011-04-06 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.805 Å) | 主引用文献 | Characteristics of Diiron Site with Large Cavity in Hemerythrin-like Domain of DcrH to be published
|
|
8C4Y
| SFX structure of FutA bound to Fe(III) | 分子名称: | FE (III) ION, Putative iron ABC transporter, substrate binding protein | 著者 | Bolton, R, Tews, I. | 登録日 | 2023-01-05 | 公開日 | 2023-08-30 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | A redox switch allows binding of Fe(II) and Fe(III) ions in the cyanobacterial iron-binding protein FutA from Prochlorococcus. Proc.Natl.Acad.Sci.USA, 121, 2024
|
|
5WSD
| Crystal structure of a cupin protein (tm1459) in apo form | 分子名称: | Uncharacterized protein tm1459 | 著者 | Fujieda, N, Nakano, T, Taniguchi, Y, Ichihashi, H, Nishikawa, Y, Kurisu, G, Itoh, S. | 登録日 | 2016-12-06 | 公開日 | 2017-05-31 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | A Well-Defined Osmium-Cupin Complex: Hyperstable Artificial Osmium Peroxygenase J. Am. Chem. Soc., 2017
|
|
8RK1
| |
1WVP
| Structure of chemically modified myoglobin with distal N-tetrazolyl-histidine E7(64) | 分子名称: | Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | 著者 | Makino, M, Sugimoto, H, Kamiya, N, Shiro, Y, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | 登録日 | 2004-12-23 | 公開日 | 2005-01-18 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.53 Å) | 主引用文献 | Heme environmental structure of a novel artificial myoglobin with a closed heme pocket: site-specific chemical modification producing distal N-tetrazolylhistidine E7 by cyanogen bromide and azide ion J.Am.Chem.Soc., 113, 1991
|
|
6YRD
| SFX structure of dye-type peroxidase DtpB in the ferryl state | 分子名称: | MAGNESIUM ION, OXYGEN ATOM, PROTOPORPHYRIN IX CONTAINING FE, ... | 著者 | Lucic, M, Axford, D.A, Owen, R.L, Worrall, J.A.R, Hough, M.A. | 登録日 | 2020-04-20 | 公開日 | 2021-01-13 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Serial Femtosecond Zero Dose Crystallography Captures a Water-Free Distal Heme Site in a Dye-Decolorising Peroxidase to Reveal a Catalytic Role for an Arginine in Fe IV =O Formation. Angew.Chem.Int.Ed.Engl., 59, 2020
|
|
6YRC
| Spectroscopically-validated structure of DtpB from Streptomyces lividans in the ferric state | 分子名称: | 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, GLYCEROL, MAGNESIUM ION, ... | 著者 | Lucic, M, Dworkowski, F.S.N, Worrall, J.A.R, Hough, M.A. | 登録日 | 2020-04-20 | 公開日 | 2021-01-13 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | 主引用文献 | Serial Femtosecond Zero Dose Crystallography Captures a Water-Free Distal Heme Site in a Dye-Decolorising Peroxidase to Reveal a Catalytic Role for an Arginine in Fe IV =O Formation. Angew.Chem.Int.Ed.Engl., 59, 2020
|
|
6YR4
| Dye-type peroxidase DtpB in the ferryl state: Spectroscopically Validated composite structure | 分子名称: | MAGNESIUM ION, OXYGEN ATOM, PROTOPORPHYRIN IX CONTAINING FE, ... | 著者 | Lucic, M, Dworkowski, F.S.N, Worrall, J.A.R, Hough, M.A. | 登録日 | 2020-04-19 | 公開日 | 2021-01-13 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Serial Femtosecond Zero Dose Crystallography Captures a Water-Free Distal Heme Site in a Dye-Decolorising Peroxidase to Reveal a Catalytic Role for an Arginine in Fe IV =O Formation. Angew.Chem.Int.Ed.Engl., 59, 2020
|
|
6YRJ
| SFX structure of dye-type peroxidase DtpB in the ferric state | 分子名称: | MAGNESIUM ION, PROTOPORPHYRIN IX CONTAINING FE, Putative iron-dependent peroxidase | 著者 | Lucic, M, Axford, D.A, Owen, R.L, Worrall, J.A.R, Hough, M.A. | 登録日 | 2020-04-20 | 公開日 | 2021-01-13 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Serial Femtosecond Zero Dose Crystallography Captures a Water-Free Distal Heme Site in a Dye-Decolorising Peroxidase to Reveal a Catalytic Role for an Arginine in Fe IV =O Formation. Angew.Chem.Int.Ed.Engl., 59, 2020
|
|
5WSF
| Crystal structure of a cupin protein (tm1459) in osmium (Os)-substituted form II | 分子名称: | OSMIUM ION, Uncharacterized protein tm1459 | 著者 | Fujieda, N, Nakano, T, Taniguchi, Y, Ichihashi, H, Nishikawa, Y, Kurisu, G, Itoh, S. | 登録日 | 2016-12-06 | 公開日 | 2017-05-31 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.11 Å) | 主引用文献 | A Well-Defined Osmium-Cupin Complex: Hyperstable Artificial Osmium Peroxygenase J. Am. Chem. Soc., 2017
|
|
5WSE
| Crystal structure of a cupin protein (tm1459) in osmium (Os) substituted form I | 分子名称: | OSMIUM ION, Uncharacterized protein tm1459 | 著者 | Fujieda, N, Nakano, T, Taniguchi, Y, Ichihashi, H, Nishikawa, Y, Kurisu, G, Itoh, S. | 登録日 | 2016-12-06 | 公開日 | 2017-05-31 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.12 Å) | 主引用文献 | A Well-Defined Osmium-Cupin Complex: Hyperstable Artificial Osmium Peroxygenase J. Am. Chem. Soc., 2017
|
|
1QS4
| Core domain of HIV-1 integrase complexed with Mg++ and 1-(5-chloroindol-3-yl)-3-hydroxy-3-(2H-tetrazol-5-yl)-propenone | 分子名称: | 1-(5-CHLOROINDOL-3-YL)-3-HYDROXY-3-(2H-TETRAZOL-5-YL)-PROPENONE, MAGNESIUM ION, PROTEIN (HIV-1 INTEGRASE (E.C.2.7.7.49)) | 著者 | Goldgur, Y, Craigie, R, Fujiwara, T, Yoshinaga, T, Davies, D.R. | 登録日 | 1999-06-25 | 公開日 | 1999-11-17 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structure of the HIV-1 integrase catalytic domain complexed with an inhibitor: a platform for antiviral drug design. Proc.Natl.Acad.Sci.USA, 96, 1999
|
|
6L1A
| Crystal Structure of P450BM3 with N-enanthoyl-L-prolyl-L-phenylalanine | 分子名称: | (2S)-2-[[(2S)-1-heptanoylpyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, DIMETHYL SULFOXIDE, ... | 著者 | Shoji, O, Yonemura, K. | 登録日 | 2019-09-28 | 公開日 | 2020-09-30 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | 主引用文献 | Systematic Evolution of Decoy Molecules for the Highly Efficient Hydroxylation of Benzene and Small Alkanes Catalyzed by Wild-Type Cytochrome P450BM3 Acs Catalysis, 10, 2020
|
|
6M9L
| Structure-based Design, Synthesis, and Biological Evaluation of Imidazo[4,5-b]pyridine-2-one based p38 MAP Kinase Inhibitors by scaffold hopping - compound 10 | 分子名称: | 3-benzyl-6-[(2,4-difluorophenyl)amino]-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one, Mitogen-activated protein kinase 14 | 著者 | Lane, W, Okada, K. | 登録日 | 2018-08-23 | 公開日 | 2019-04-17 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | Structure-Based Design, Synthesis, and Biological Evaluation of Imidazo[4,5-b]pyridin-2-one-Based p38 MAP Kinase Inhibitors: Part 1. Chemmedchem, 14, 2019
|
|
6M95
| Structure-based Design, Synthesis, and Biological Evaluation of Imidazo[4,5-b]pyridine-2-one based p38 MAP Kinase Inhibitors by scaffold hopping: compound 1 | 分子名称: | (4-benzylpiperidin-1-yl)[2-methoxy-4-(methylsulfanyl)phenyl]methanone, Mitogen-activated protein kinase 14 | 著者 | Lane, W, Okada, K. | 登録日 | 2018-08-22 | 公開日 | 2019-04-17 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Structure-Based Design, Synthesis, and Biological Evaluation of Imidazo[4,5-b]pyridin-2-one-Based p38 MAP Kinase Inhibitors: Part 1. Chemmedchem, 14, 2019
|
|
6L1B
| |
6OHD
| P38 in complex with T-3220137 | 分子名称: | 3-(3-tert-butyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-6-yl)-4-methyl-N-(1,2-oxazol-3-yl)benzamide, Mitogen-activated protein kinase 14 | 著者 | Lane, W, Saikatendu, K. | 登録日 | 2019-04-05 | 公開日 | 2019-11-20 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Structure-Based Design, Synthesis, and Biological Evaluation of Imidazo[4,5-b]Pyridin-2-one-Based p38 MAP Kinase Inhibitors: Part 2. Chemmedchem, 14, 2019
|
|