PDB: 1373 件ウェブページステータス検索Chemie searchBIRD

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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
8DME	CYP102A1 in Open Conformation 分子名称: 6-methoxy-2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfanyl}-1H-benzimidazole, Bifunctional cytochrome P450/NADPH--P450 reductase, FLAVIN MONONUCLEOTIDE, ... 著者 Su, M, Xu, H. 登録日 2022-07-08 公開日 2023-07-19 最終更新日 2024-06-12 実験手法 ELECTRON MICROSCOPY (6.5 Å) 主引用文献 Insight into the conformational dynamics of cytochrome P450 CYP102A1 enzyme using Cryo-EM To Be Published
8DMG	CYP102A1 in Closed Conformation 分子名称: 6-methoxy-2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfanyl}-1H-benzimidazole, Bifunctional cytochrome P450/NADPH--P450 reductase, FLAVIN MONONUCLEOTIDE, ... 著者 Su, M, Xu, H. 登録日 2022-07-08 公開日 2023-07-19 最終更新日 2024-06-12 実験手法 ELECTRON MICROSCOPY (4.4 Å) 主引用文献 Insight into the conformational dynamics of cytochrome P450 CYP102A1 enzyme using Cryo-EM To Be Published
8F91	OxyB, a cytochrome P450 involved in keratinimicin biosynthesis 分子名称: OxyB, PROTOPORPHYRIN IX CONTAINING FE 著者 Ireland, K.A, Davis, K.M. 登録日 2022-11-22 公開日 2023-07-19 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Robust Chemoenzymatic Synthesis of Keratinimicin Aglycone Analogues Facilitated by the Structure and Selectivity of OxyB. Acs Chem.Biol., 18, 2023
8GK3	Cytochrome P450 3A7 in complex with Dehydroepiandrosterone sulfate 分子名称: 17-oxoandrost-5-en-3beta-yl hydrogen sulfate, Cytochrome P450 3A7, PROTOPORPHYRIN IX CONTAINING FE 著者 Liu, J, Scott, E.E. 登録日 2023-03-16 公開日 2023-07-26 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Human cytochrome P450 3A7 binding four copies of its native substrate dehydroepiandrosterone 3-sulfate. J.Biol.Chem., 299, 2023
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
8SO2	Human CYP3A4 bound to a substrate 分子名称: CAFFEINE, Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE 著者 Sevrioukova, I.F. 登録日 2023-04-28 公開日 2023-08-02 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.15 Å) 主引用文献 Interaction of CYP3A4 with caffeine: First insights into multiple substrate binding. J.Biol.Chem., 299, 2023
8SO1	Human CYP3A4 bound to three caffeine molecules 分子名称: CAFFEINE, Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE 著者 Sevrioukova, I.F. 登録日 2023-04-28 公開日 2023-08-02 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.05 Å) 主引用文献 Interaction of CYP3A4 with caffeine: First insights into multiple substrate binding. J.Biol.Chem., 299, 2023
8EKT	CYP51 from Acanthamoeba castellanii in complex with the tetrazole-based IND inhibitor VT-1161(VT1) 分子名称: (R)-2-(2,4-Difluorophenyl)-1,1-difluoro-3-(1H-tetrazol-1-yl)-1-(5-(4-(2,2,2-trifluoroethoxy)phenyl)pyridin-2-yl)propan-2-ol, PROTOPORPHYRIN IX CONTAINING FE, sterol 14a-demethylase 著者 Hargrove, T.Y, Wawrzak, Z, Lepesheva, G.I. 登録日 2022-09-21 公開日 2023-08-02 最終更新日 2024-05-15 実験手法 X-RAY DIFFRACTION (2.29 Å) 主引用文献 Identification of Potent and Selective Inhibitors of Acanthamoeba : Structural Insights into Sterol 14 alpha-Demethylase as a Key Drug Target. J.Med.Chem., 67, 2024
8EOH	crystal structure of human Cytochrome P450 8B1 in complex with a C12-Pyridine Containing Steroid 分子名称: 12-(pyridin-3-yl)-8alpha,10alpha,13alpha,14beta-androsta-4,11-diene-3,17-dione, 7-alpha-hydroxycholest-4-en-3-one 12-alpha-hydroxylase, PROTOPORPHYRIN IX CONTAINING FE 著者 Liu, J, Scott, E.E. 登録日 2022-10-03 公開日 2023-08-02 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (2.65 Å) 主引用文献 Pyridine-containing substrate analogs are restricted from accessing the human cytochrome P450 8B1 active site by tryptophan 281. J.Biol.Chem., 299, 2023
8AE8	Crystal structure of a staphylococcal orthologue of CYP134A1 (CYPX) in complex with a heme-coordinated fragment 分子名称: 1~{H}-indol-5-ylmethanamine, Cytochrome P450 protein, PROTOPORPHYRIN IX CONTAINING FE 著者 Snee, M, Katariya, M. 登録日 2022-07-12 公開日 2023-08-16 実験手法 X-RAY DIFFRACTION (1.92 Å) 主引用文献 Crystal structure of a staphylococcal orthologue of CYP134A1 (CYPX) in complex with a heme-coordinated fragment To Be Published
8ADR	Crystal structure of a staphylococcal orthologue of CYP134A1 (CYPX) in complex with a fragment 分子名称: Cytochrome P450 protein, PROTOPORPHYRIN IX CONTAINING FE, pyridin-3-ylboronic acid 著者 Snee, M, Katariya, M, Levy, C. 登録日 2022-07-11 公開日 2023-08-16 実験手法 X-RAY DIFFRACTION (1.92 Å) 主引用文献 Crystal structure of a staphylococcal orthologue of CYP134A1 (CYPX) in complex with a fragment To Be Published
8HGC	Crystal structure of the CYP199A4 mutant F182T in complex with 4-methoxybenzoic acid 分子名称: 4-METHOXYBENZOIC ACID, ACETATE ION, Cytochrome P450, ... 著者 Jiang, Y, Cong, Z. 登録日 2022-11-14 公開日 2023-08-16 実験手法 X-RAY DIFFRACTION (1.72 Å) 主引用文献 Enabling Peroxygenase Activity in Cytochrome P450 Monooxygenases by Engineering Hydrogen Peroxide Tunnels. J.Am.Chem.Soc., 145, 2023
8HGT	Crystal structure of the CYP153A mutant V456A from Marinobacter aquaeolei 分子名称: Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE 著者 Jiang, Y, Tian, X, Cong, Z. 登録日 2022-11-15 公開日 2023-08-16 実験手法 X-RAY DIFFRACTION (2.06 Å) 主引用文献 Enabling Peroxygenase Activity in Cytochrome P450 Monooxygenases by Engineering Hydrogen Peroxide Tunnels. J.Am.Chem.Soc., 145, 2023
8SPP	Crystal structure of a heme enzyme RufO in rufomycin biosynthesis 分子名称: Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE 著者 Wang, Y, Jordan, S, Li, B. 登録日 2023-05-03 公開日 2023-08-23 実験手法 X-RAY DIFFRACTION (1.89 Å) 主引用文献 Structural and spectroscopic characterization of RufO indicates a new biological role in rufomycin biosynthesis. J.Biol.Chem., 299, 2023
8FDA	Human Cytochrome P450 17A1 in complex with steroidal isonitrile inhibitor 分子名称: PROTOPORPHYRIN IX CONTAINING FE, Steroid 17-alpha-hydroxylase/17,20 lyase, [(1~{R})-1-[(3~{S},5~{S},8~{R},9~{S},10~{S},13~{S},17~{R})-3-methanoyloxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,13,14,15,16,17-hexadecahydrocyclopenta[a]phenanthren-17-yl]ethyl]-methylidyne-azanium 著者 Richard, A.M, Scott, E.E. 登録日 2022-12-02 公開日 2023-08-23 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Selective steroidogenic cytochrome P450 haem iron ligation by steroid-derived isonitriles. Commun Chem, 6, 2023
8E5J	The crystal structure of 4-n-butylbenzoic acid bound CYP199A4 分子名称: 4-butylbenzoic acid, CHLORIDE ION, Cytochrome P450, ... 著者 Doherty, D.Z, Bell, S.G, Bruning, J.B. 登録日 2022-08-22 公開日 2023-08-30 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Exploring the Factors which Result in Cytochrome P450 Catalyzed Desaturation Versus Hydroxylation. Chem Asian J, 17, 2022
8TWU	Crystal structure of Cytochrome P450 AspB bound to N1-methylated cyclo-L-Trp-L-Pro 分子名称: (3S,5S,8aS)-3-[(1-methyl-1H-indol-3-yl)methyl]hexahydropyrrolo[1,2-a]pyrazine-1,4-dione, Cytochrome P450 AspB, PROTOPORPHYRIN IX CONTAINING FE, ... 著者 Gering, H.E, Li, X, Tang, H, Swartz, P.D, Chang, W.-C, Makris, T.M. 登録日 2023-08-21 公開日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.84 Å) 主引用文献 A Ferric-Superoxide Intermediate Initiates P450-Catalyzed Cyclic Dipeptide Dimerization. J.Am.Chem.Soc., 145, 2023
8SG5	Cytochrome P450 (CYP) 3A5 crystallized with clotrimazole 分子名称: 1-[(2-CHLOROPHENYL)(DIPHENYL)METHYL]-1H-IMIDAZOLE, Cytochrome P450 3A5, DODECYL NONA ETHYLENE GLYCOL ETHER, ... 著者 Hsu, M.H, Johnson, E.F. 登録日 2023-04-11 公開日 2023-10-11 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Differential Effects of Clotrimazole on X-Ray Crystal Structures of Human Cytochromes P450 3A5 and 3A4. Drug Metab.Dispos., 51, 2023
8SPD	Cytochrome P450 (CYP) 3A4 crystallized with clotrimazole 分子名称: 1-[(2-CHLOROPHENYL)(DIPHENYL)METHYL]-1H-IMIDAZOLE, Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE 著者 Hsu, M.H, Johnson, E.F. 登録日 2023-05-02 公開日 2023-10-11 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2.9 Å) 主引用文献 Differential Effects of Clotrimazole on X-Ray Crystal Structures of Human Cytochromes P450 3A5 and 3A4. Drug Metab.Dispos., 51, 2023
8TAY	The crystal structure of T252E CYP199A4 bound to 4-(thiophen-3-yl)benzoic acid 分子名称: 4-(thiophen-3-yl)benzoic acid, CHLORIDE ION, Cytochrome P450, ... 著者 Podgorski, M.N, Bell, S.G. 登録日 2023-06-28 公開日 2023-10-25 実験手法 X-RAY DIFFRACTION (2.021 Å) 主引用文献 Characterisation of the heme aqua-ligand coordination environment in an engineered peroxygenase cytochrome P450 variant. J.Inorg.Biochem., 249, 2023
8TAW	The crystal structure of T252E CYP199A4 bound to 4-(pyridin-2-yl)benzoic acid 分子名称: 4-(pyridin-2-yl)benzoic acid, CHLORIDE ION, Cytochrome P450, ... 著者 Podgorski, M.N, Bell, S.G. 登録日 2023-06-28 公開日 2023-10-25 実験手法 X-RAY DIFFRACTION (1.73 Å) 主引用文献 Characterisation of the heme aqua-ligand coordination environment in an engineered peroxygenase cytochrome P450 variant. J.Inorg.Biochem., 249, 2023
8TNK	The crystal structure of the T252E mutant of CYP199A4 bound to 4-benzylbenzoic acid 分子名称: 4-benzylbenzoic acid, CHLORIDE ION, Cytochrome P450, ... 著者 Podgorski, M.N, Bell, S.G. 登録日 2023-08-02 公開日 2023-10-25 実験手法 X-RAY DIFFRACTION (1.79 Å) 主引用文献 Characterisation of the heme aqua-ligand coordination environment in an engineered peroxygenase cytochrome P450 variant. J.Inorg.Biochem., 249, 2023
8HKD	Crystal structure of P450BSbeta-L78G/Q85F/F173S/G290I variant in complex with palmitoleic acid 分子名称: DI(HYDROXYETHYL)ETHER, Fatty-acid peroxygenase, PALMITOLEIC ACID, ... 著者 He, C, Wang, X, Li, F. 登録日 2022-11-25 公開日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.35 Å) 主引用文献 Biocatalytic enantioselective gamma-C-H lactonization of aliphatic carboxylic acids Nat Synth, 2023
8JNC	Crystal structure of cytochrome P450 IkaD from Streptomyces sp. ZJ306, in complex with the substrate 10-epi-maltophilin 分子名称: (1Z,3E,5S,8R,9S,10S,11R,13R,15R,16S,18Z,24S,25S)-11-ethyl-2,24-dihydroxy-10-methyl-21,26-diazapentacyclo[23.2.1.09,13.08,15.05,16]octacosa-1(2),3,18-triene-7,20,27,28-tetraone, Cytochrome P450, FORMIC ACID, ... 著者 Zhang, Y.L, Zhang, L.P, Zhang, C.S. 登録日 2023-06-06 公開日 2023-11-15 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 A Mechanistic Understanding of the Distinct Regio- and Chemoselectivity of Multifunctional P450s by Structural Comparison of IkaD and CftA Complexed with Common Substrates. Angew.Chem.Int.Ed.Engl., 62, 2023

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