PDB: 1738 件ウェブページステータス検索Chemie searchBIRD

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7Y9M	Crystal structure of P450 BM3-2F from Bacillus megaterium 分子名称: Bifunctional cytochrome P450/NADPH--P450 reductase, IMIDAZOLE, PROTOPORPHYRIN IX CONTAINING FE 著者 Wang, Q, Zhang, L.L, Liu, W.D, Huang, J.-W, Yang, Y, Chen, C.-C, Guo, R.-T. 登録日 2022-06-25 公開日 2023-07-12 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.16 Å) 主引用文献 Crystal structure of P450 BM3-2F from Bacillus megaterium to be published
7Y9L	Crystal structure of P450 BM3-2F from Bacillus megaterium in complex with 2-Hydroxy-5-Nitrobenzonitrile 分子名称: 5-nitro-2-oxidanyl-benzenecarbonitrile, Bifunctional cytochrome P450/NADPH--P450 reductase, NICKEL (II) ION, ... 著者 Wang, Q, Zhang, L.L, Liu, W.D, Huang, J.-W, Yang, Y, Chen, C.-C, Guo, R.-T. 登録日 2022-06-25 公開日 2023-07-12 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.76 Å) 主引用文献 Crystal structure of P450 BM3-2F from Bacillus megaterium in complex with 2-Hydroxy-5-Nitrobenzonitrile to be published
7CL8	Testosterone-bound structure of CYP154C2 from Streptomyces avermitilis in an closed conformation 分子名称: Cytochrome P450 hydroxylase, DI(HYDROXYETHYL)ETHER, PROTOPORPHYRIN IX CONTAINING FE, ... 著者 Xu, L.H, Fushinobu, S. 登録日 2020-07-20 公開日 2021-07-21 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.42 Å) 主引用文献 Improved 2 alpha-Hydroxylation Efficiency of Steroids by CYP154C2 Using Structure-Guided Rational Design. Appl.Environ.Microbiol., 89, 2023
5W0C	Cytochrome P450 (CYP) 2C9 TCA007 Inhibitor Complex 分子名称: Cytochrome P450 2C9, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ... 著者 Johnson, E.F, Hsu, M.-H. 登録日 2017-05-30 公開日 2017-09-13 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.001 Å) 主引用文献 Determinants of the Inhibition of DprE1 and CYP2C9 by Antitubercular Thiophenes. Angew. Chem. Int. Ed. Engl., 56, 2017
7XZK	Crystal Structure of P450BM3 with N-(3-cyclohexylpropanoyl)-L-pipecolyl-L-phenylalanine 分子名称: (2~{S})-2-[[(2~{S})-1-(3-cyclohexylpropanoyl)piperidin-2-yl]carbonylamino]-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, PROTOPORPHYRIN IX CONTAINING FE 著者 Shoji, O, Yonemura, K. 登録日 2022-06-02 公開日 2023-06-07 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.54 Å) 主引用文献 Crystal Structure of P450BM3 with N-(3-cyclohexylpropanoyl)-L-pipecolyl-L-phenylalanine To Be Published
7YJD	Crystal structure of the P450 BM3 heme domain mutant F87A in complex with N-imidazolyl-hexanoyl-L-phenylalanine and hydroxylamine 分子名称: (2S)-2-(6-imidazol-1-ylhexanoylamino)-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, HYDROXYAMINE, ... 著者 Jiang, Y, Dong, S, Feng, Y, Cong, Z. 登録日 2022-07-19 公開日 2023-07-26 最終更新日 2024-05-29 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Crystal structure of the P450 BM3 heme domain mutant F87A in complex with N-imidazolyl-hexanoyl-L-phenylalanine and hydroxylamine To Be Published
3CV9	Crystal structure of vitamin D hydroxylase cytochrome P450 105A1 (R73A/R84A mutant) in complex with 1alpha,25-dihydroxyvitamin D3 分子名称: 5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANE-1,3-DIOL, Cytochrome P450-SU1, PROTOPORPHYRIN IX CONTAINING FE 著者 Hayashi, K, Sugimoto, H, Shinkyo, R, Yamada, M, Ikeda, S, Ikushiro, S, Kamakura, M, Shiro, Y, Sakaki, T. 登録日 2008-04-18 公開日 2008-11-04 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Structure-based design of a highly active vitamin D hydroxylase from Streptomyces griseolus CYP105A1 Biochemistry, 47, 2008
8UKZ	Structure of P450Blt from Micromonospora sp. MW-13 with E238A Mutation 分子名称: ACETATE ION, Cytochrome P450-SU1, DI(HYDROXYETHYL)ETHER, ... 著者 Hansen, M.H, Cryle, M.J. 登録日 2023-10-15 公開日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Structural Insights into a Side Chain Cross-Linking Biarylitide P450 from RiPP Biosynthesis Acs Catalysis, 2024
8U2M	Structure of P450Blt from Micromonospora sp. MW-13 in Complex with Biarylitide 分子名称: 2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXYL, ACETATE ION, Cytochrome P450-SU1, ... 著者 Hansen, M.H, Cryle, M.J. 登録日 2023-09-06 公開日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.79 Å) 主引用文献 Structural Insights into a Side Chain Cross-Linking Biarylitide P450 from RiPP Biosynthesis Acs Catalysis, 2024
3ZKP	Structure of a mutant of P450 EryK in complex with erythromycin B. 分子名称: ERYTHROMYCIN C-12 HYDROXYLASE, Erythromycin B, PROTOPORPHYRIN IX CONTAINING FE 著者 Montemiglio, L.C, Vallone, B, Savino, C. 登録日 2013-01-24 公開日 2013-05-01 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Redirecting P450 Eryk Specificity by Rational Site-Directed Mutagenesis. Biochemistry, 52, 2013
6J84	Crystal structure of TleB with hydroxyl analog 分子名称: (2S)-2-hydroxy-N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-3-methylbutanamide, Cytochrome P-450, PROTOPORPHYRIN IX CONTAINING FE 著者 Nakamura, H, Mori, T, Abe, I. 登録日 2019-01-18 公開日 2019-08-07 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Molecular basis for the P450-catalyzed C-N bond formation in indolactam biosynthesis. Nat.Chem.Biol., 15, 2019
8HOT	Crystal structure of the P450 BM3 heme domain mutant F87A in complex with NH2-C7-Phe-Phe 分子名称: Bifunctional cytochrome P450/NADPH--P450 reductase, NH2-C7-Phe-Phe, PROTOPORPHYRIN IX CONTAINING FE 著者 Jiang, Y, Dong, S, Feng, Y, Cong, Z. 登録日 2022-12-10 公開日 2023-12-13 最終更新日 2024-10-23 実験手法 X-RAY DIFFRACTION (1.96 Å) 主引用文献 Crystal structure of the P450 BM3 heme domain mutant F87A in complex with NH2-C7-Phe-Phe To Be Published
8HOO	Crystal structure of the P450 BM3 heme domain mutant F87A in complex with Im-C6-Tyr-Nap 分子名称: Bifunctional cytochrome P450/NADPH--P450 reductase, Im-C6-Tyr-Nap, PROTOPORPHYRIN IX CONTAINING FE 著者 Jiang, Y, Dong, S, Feng, Y, Cong, Z. 登録日 2022-12-10 公開日 2023-12-13 実験手法 X-RAY DIFFRACTION (1.86 Å) 主引用文献 Crystal structure of the P450 BM3 heme domain mutant F87A in complex with Im-C6-Tyr-Nap To Be Published
6K24	Structure of the Rhodium Mesoporphyrin IX-Reconstituted CYP102A1 Haem Domain with N-Abietoyl-L-Tryptophan 分子名称: (2S)-2-[[(1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl]carbonylamino]-3-( 1H-indol-3-yl)propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, DIMETHYL SULFOXIDE, ... 著者 Stanfield, J.K, Matsumoto, A, Kasai, C, Sugimoto, H, Shiro, Y, Watanabe, Y, Shoji, O. 登録日 2019-05-13 公開日 2020-03-18 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Crystals in Minutes: Instant On-Site Microcrystallisation of Various Flavours of the CYP102A1 (P450BM3) Haem Domain. Angew.Chem.Int.Ed.Engl., 59, 2020
5EX8	Structure of P450 StaF from glycopeptide antibiotic A47934 biosynthesis; ethylene glycol cryo 分子名称: 1,2-ETHANEDIOL, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE 著者 Cryle, M.J, Ulrich, V. 登録日 2015-11-23 公開日 2017-01-11 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Biochemical and structural characterisation of the second oxidative crosslinking step during the biosynthesis of the glycopeptide antibiotic A47934. Beilstein J Org Chem, 12, 2016
6XA2	Structure of the tirandamycin C-bound P450 monooxygenase TamI 分子名称: (3E)-3-{(2E,4E,6R)-1-hydroxy-4-methyl-6-[(1R,3R,4S,5R)-1,4,8-trimethyl-2,9-dioxabicyclo[3.3.1]non-7-en-3-yl]hepta-2,4-dien-1-ylidene}-2H-pyrrole-2,4(3H)-dione, PROTOPORPHYRIN IX CONTAINING FE, TamI 著者 Newmister, S.A, Srivastava, K.R, Espinoza, R.V, Haatveit, K.C, Khatri, Y, Martini, R.M, Garcia-Borras, M, Podust, L.M, Houk, K.N, Sherman, D.H. 登録日 2020-06-03 公開日 2021-06-09 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (2.64 Å) 主引用文献 Molecular Basis of Iterative C─H Oxidation by TamI, a Multifunctional P450 monooxygenase from the Tirandamycin Biosynthetic Pathway. Acs Catalysis, 10, 2020
6XA3	Structure of the ligand free P450 monooxygenase TamI 分子名称: PROTOPORPHYRIN IX CONTAINING FE, TamI 著者 Newmister, S.A, Srivastava, K.R, Espinoza, R.V, Haatveit, K.C, Khatri, Y, Martini, R.M, Garcia-Borras, M, Podust, L.M, Houk, K.N, Sherman, D.H. 登録日 2020-06-03 公開日 2021-06-23 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.96 Å) 主引用文献 Molecular Basis of Iterative C─H Oxidation by TamI, a Multifunctional P450 monooxygenase from the Tirandamycin Biosynthetic Pathway. Acs Catalysis, 10, 2020
7WDI	Crystal structure of the P450 BM3 heme domain mutant F87K in complex with N-imidazolyl-hexanoyl-L-phenylalanine and hydroxylamine 分子名称: (2S)-2-(6-imidazol-1-ylhexanoylamino)-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, HYDROXYAMINE, ... 著者 Jiang, Y, Dong, S, Feng, Y, Cong, Z. 登録日 2021-12-21 公開日 2022-12-28 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Crystal structure of the P450 BM3 heme domain mutant F87A in complex with N-imidazolyl-hexanoyl-L-phenylalanine and hydroxylamine To Be Published
7WDD	Crystal structure of the P450 BM3 heme domain mutant F87K in complex with N-imidazolyl-hexanoyl-L-phenylalanine, styrene and hydroxylamine 分子名称: (2S)-2-(6-imidazol-1-ylhexanoylamino)-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, HYDROXYAMINE, ... 著者 Jiang, Y, Dong, S, Feng, Y, Cong, Z. 登録日 2021-12-21 公開日 2022-12-28 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.21 Å) 主引用文献 Crystal structure of the P450 BM3 heme domain mutant F87A in complex with N-imidazolyl-hexanoyl-L-phenylalanine and hydroxylamine To Be Published
7WDE	Crystal structure of the P450 BM3 heme domain mutant F87L in complex with N-imidazolyl-hexanoyl-L-phenylalanine, styrene and hydroxylamine 分子名称: (2S)-2-(6-imidazol-1-ylhexanoylamino)-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, GLYCEROL, ... 著者 Jiang, Y, Dong, S, Feng, Y, Cong, Z. 登録日 2021-12-21 公開日 2022-12-28 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.11 Å) 主引用文献 Crystal structure of the P450 BM3 heme domain mutant F87A in complex with N-imidazolyl-hexanoyl-L-phenylalanine and hydroxylamine To Be Published
3R9B	Crystal structure of Mycobacterium smegmatis CYP164A2 in ligand free state 分子名称: 1,2-ETHANEDIOL, CYTOCHROME P450 164A2, DODECANE, ... 著者 Agnew, C.R.J, Warrilow, A.G.S, Kelly, S.L, Brady, R.L. 登録日 2011-03-25 公開日 2012-04-04 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (1.89 Å) 主引用文献 An enlarged, adaptable active site in CYP164 family P450 enzymes, the sole P450 in Mycobacterium leprae. Antimicrob.Agents Chemother., 56, 2012
3R9C	Crystal structure of Mycobacterium smegmatis CYP164A2 with Econazole bound 分子名称: 1,2-ETHANEDIOL, 1-[(2R)-2-[(4-chlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole, Cytochrome P450 164A2, ... 著者 Agnew, C.R.J, Kelly, S.L, Brady, R.L. 登録日 2011-03-25 公開日 2012-03-28 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (2.14 Å) 主引用文献 An enlarged, adaptable active site in CYP164 family P450 enzymes, the sole P450 in Mycobacterium leprae. Antimicrob.Agents Chemother., 56, 2012
7UOR	Crystal structure of cytochrome P450 enzyme CYP119 in complex with methyliridium(III) mesoporphyrin. 分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cytochrome, NICKEL (II) ION, ... 著者 Pereira, J.H, Bloomer, B.J, Hartwig, J.F, Adams, P.D. 登録日 2022-04-13 公開日 2023-02-22 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (3.16 Å) 主引用文献 Mechanistic and structural characterization of an iridium-containing cytochrome reveals kinetically relevant cofactor dynamics Nat Catal, 6, 2023
7KVI	Human CYP3A4 bound to an inhibitor 分子名称: Cytochrome P450 3A4, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ... 著者 Sevrioukova, I. 登録日 2020-11-28 公開日 2021-01-20 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.55 Å) 主引用文献 Rational Design of CYP3A4 Inhibitors: A One-Atom Linker Elongation in Ritonavir-Like Compounds Leads to a Marked Improvement in the Binding Strength. Int J Mol Sci, 22, 2021
7KVJ	Human CYP3A4 bound to an inhibitor 分子名称: Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl [(2S)-1-{[(2S)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate 著者 Sevrioukova, I. 登録日 2020-11-28 公開日 2021-01-20 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.65 Å) 主引用文献 Rational Design of CYP3A4 Inhibitors: A One-Atom Linker Elongation in Ritonavir-Like Compounds Leads to a Marked Improvement in the Binding Strength. Int J Mol Sci, 22, 2021

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