PDB: 1731 件ウェブページステータス検索Chemie searchBIRD

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5KDB	The crystal structure of 4-isopropylbenzoate-bound CYP199A4 分子名称: 4-propan-2-ylbenzoic acid, CHLORIDE ION, Cytochrome P450, ... 著者 Coleman, T, Bruning, J.B, Bell, S.G. 登録日 2016-06-07 公開日 2018-02-07 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.644 Å) 主引用文献 The crystal structure of 4-isopropylbenzoate-bound CYP199A4 To Be Published
5KT1	The crystal structure of 4-methylthiobenzoate-bound CYP199A4 分子名称: 4-methylsulfanylbenzoic acid, CHLORIDE ION, Cytochrome P450, ... 著者 Coleman, T, Bruning, J.B, Bell, S.G. 登録日 2016-07-11 公開日 2018-01-17 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.015 Å) 主引用文献 The crystal structure of 4-methylthiobenzoate-bound CYP199A4 To Be Published
5KDY	The crystal structure of the D251N mutant of CYP199A4 in complex with 4-methoxybenzoate 分子名称: 4-METHOXYBENZOIC ACID, CHLORIDE ION, Cytochrome P450, ... 著者 Coleman, T, Bruning, J.B, Bell, S.G. 登録日 2016-06-08 公開日 2018-02-07 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.589 Å) 主引用文献 The crystal structure of the D251N mutant of CYP199A4 in complex with 4-methoxybenzoate To Be Published
5FYF	Structure of CYP153A from Marinobacter aquaeolei 分子名称: 1,2-ETHANEDIOL, CYTOCHROME P450, PROTOPORPHYRIN IX CONTAINING FE 著者 Danesh Azari, H.R, Spandolf, C, Hoffman, S.M, Weissenborn, M, Hauer, B, Grogan, G. 登録日 2016-03-07 公開日 2017-01-18 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.04 Å) 主引用文献 Structure-Guided Redesign of CYP153AM.aqfor the Improved Terminal Hydroxylation of Fatty Acids Chemcatchem, 2016
5FYG	Structure of CYP153A from Marinobacter aquaeolei in complex with hydroxydodecanoic acid 分子名称: 12-HYDROXYDODECANOIC ACID, CYTOCHROME P450, PROTOPORPHYRIN IX CONTAINING FE 著者 Danesh-Azari, H.-R, Spandolf, C, Hoffman, S.M, Weissenborn, M, Hauer, B, Grogan, G. 登録日 2016-03-07 公開日 2017-01-18 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.22 Å) 主引用文献 Structure-Guided Redesign of CYP153AM.aqfor the Improved Terminal Hydroxylation of Fatty Acids Chemcatchem, 2016
5UVB	The crystal structure of 4-cyclopropylbenzoate-bound CYP199A4 分子名称: 4-cyclopropylbenzoic acid, CHLORIDE ION, Cytochrome P450, ... 著者 Coleman, T, Bruning, J.B, Bell, S.G. 登録日 2017-02-20 公開日 2018-02-28 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.54 Å) 主引用文献 The crystal structure of 4-cyclopropylbenzoate-bound CYP199A4 To Be Published
7S3T	NzeB Diketopiperazine Dimerase Mutant: Q68I-G87A-A89G-I90V 分子名称: (3S,8aS)-3-(1H-indol-3-ylmethyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione, 1,2-ETHANEDIOL, MAGNESIUM ION, ... 著者 Harris, N.R, Shende, V.V, Sanders, J.N, Newmister, S.A, Khatri, Y, Movassaghi, M, Houk, K.N, Sherman, D.H. 登録日 2021-09-08 公開日 2022-10-05 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 Molecular Dynamics Simulations Guide Chimeragenesis and Engineered Control of Chemoselectivity in Diketopiperazine Dimerases. Angew.Chem.Int.Ed.Engl., 2023
3CZH	Crystal structure of CYP2R1 in complex with vitamin D2 分子名称: (3S,5Z,7E,22E)-9,10-secoergosta-5,7,10,22-tetraen-3-ol, Cycloheptakis-(1-4)-(alpha-D-glucopyranose), Cytochrome P450 2R1, ... 著者 Strushkevich, N.V, Tempel, W, Gilep, A.A, Loppnau, P, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Wilkstrom, M, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC) 登録日 2008-04-29 公開日 2008-08-05 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Crystal structure of CYP2R1 in complex with vitamin D2. To be Published
8A91	Crystal structure of a staphylococcal orthologue of CYP134A1 (CYPX) in complex with a heme-coordinated fragment 分子名称: 1H-indol-3-ylmethanamine, Cytochrome P450 protein, PROTOPORPHYRIN IX CONTAINING FE, ... 著者 Snee, M, Katariya, M, Levy, C. 登録日 2022-06-27 公開日 2023-07-05 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.85 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
8A8L	Crystal structure of a staphylococcal orthologue of CYP134A1 (CYPX) in complex with a heme-coordinated fragment 分子名称: 6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole, Cytochrome P450 protein, GLYCEROL, ... 著者 Snee, M, Katariya, M, Levy, C. 登録日 2022-06-23 公開日 2023-07-05 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.88 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
3DL9	Crystal structure of CYP2R1 in complex with 1-alpha-hydroxy-vitamin D2 分子名称: (1S,3R,5Z,7E,22E)-9,10-secoergosta-5,7,10,22-tetraene-1,3-diol, Cycloheptakis-(1-4)-(alpha-D-glucopyranose), Cytochrome P450 2R1, ... 著者 Strushkevich, N.V, Tempel, W, Gilep, A.A, Loppnau, P, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Wilkstrom, M, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC) 登録日 2008-06-26 公開日 2008-08-05 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (2.721 Å) 主引用文献 Crystal structure of CYP2R1 in complex with 1-alpha-hydroxy-vitamin D2. To be Published
4ZE0	Saccharomyces cerevisiae CYP51 (Lanosterol 14-alpha demethylase) Y140F mutant complexed with Voriconazole 分子名称: Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE, Voriconazole 著者 Sagatova, A, Keniya, M.V, Wilson, R, Tyndall, J.D.A, Monk, B.C. 登録日 2015-04-20 公開日 2016-03-30 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Triazole resistance mediated by mutations of a conserved active site tyrosine in fungal lanosterol 14 alpha-demethylase. Sci Rep, 6, 2016
4ZDZ	Saccharomyces cerevisiae CYP51 (Lanosterol 14-alpha demethylase) Y140F mutant complexed with fluconazole 分子名称: 2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL, Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE 著者 Sagatova, A, Keniya, M.V, Wilson, R.K, Tyndall, J.D.A, Monk, B.C. 登録日 2015-04-20 公開日 2016-03-30 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Triazole resistance mediated by mutations of a conserved active site tyrosine in fungal lanosterol 14 alpha-demethylase. Sci Rep, 6, 2016
4ZDY	Saccharomyces cerevisiae CYP51 (Lanosterol 14-alpha demethylase) Y140F mutant complexed with itraconazole 分子名称: 2-[(2R)-butan-2-yl]-4-{4-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazin-1-yl]phenyl}-2,4-dihydro-3H-1,2,4-triazol-3-one, Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE 著者 Sagatova, A, Keniya, M.V, Wilson, R.K, Tyndall, J.D.A, Monk, B.C. 登録日 2015-04-20 公開日 2016-03-30 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2.02 Å) 主引用文献 Triazole resistance mediated by mutations of a conserved active site tyrosine in fungal lanosterol 14 alpha-demethylase. Sci Rep, 6, 2016
4ZE1	Saccharomyces cerevisiae CYP51 Y140F mutant complexed with posaconazole in the active site 分子名称: Lanosterol 14-alpha demethylase, POSACONAZOLE, PROTOPORPHYRIN IX CONTAINING FE 著者 Sagatova, A, Keniya, M.V, Wilson, R, Tyndall, J.D.A, Monk, B.C. 登録日 2015-04-20 公開日 2016-03-30 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2.05 Å) 主引用文献 Triazole resistance mediated by mutations of a conserved active site tyrosine in fungal lanosterol 14 alpha-demethylase. Sci Rep, 6, 2016
4ZE2	Saccharomyces cerevisiae CYP51 (Lanosterol 14-alpha demethylase) Y140H mutant complexed with itraconazole 分子名称: 2-[(2R)-butan-2-yl]-4-{4-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazin-1-yl]phenyl}-2,4-dihydro-3H-1,2,4-triazol-3-one, Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE 著者 Sagatova, A, Keniya, M.V, Wilson, R, Monk, B.C, Tyndall, J.D.A. 登録日 2015-04-20 公開日 2016-03-30 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Triazole resistance mediated by mutations of a conserved active site tyrosine in fungal lanosterol 14 alpha-demethylase. Sci Rep, 6, 2016
4ZE3	Saccharomyces cerevisiae CYP51 (Lanosterol 14-alpha demethylase) Y140H mutant complexed with fluconazole 分子名称: 2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL, Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE 著者 Sagatova, A, Keniya, M.V, Wilson, R, Monk, B.C, Tyndall, J.D.A. 登録日 2015-04-20 公開日 2016-03-30 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Triazole resistance mediated by mutations of a conserved active site tyrosine in fungal lanosterol 14 alpha-demethylase. Sci Rep, 6, 2016
3TYW	Crystal Structure of CYP105N1 from Streptomyces coelicolor A3(2) 分子名称: PROTOPORPHYRIN IX CONTAINING FE, Putative cytochrome P450 著者 Zhao, B, Waterman, M.R. 登録日 2011-09-26 公開日 2012-07-11 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.9 Å) 主引用文献 Crystal Structure of CYP105N1 from Streptomyces coelicolor A3(2) To be Published
5HS1	Saccharomyces cerevisiae CYP51 (Lanosterol 14-alpha demethylase) complexed with Voriconazole 分子名称: Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE, Voriconazole 著者 Sabherwal, M, Sagatova, A, Keniya, M.V, Wilson, R.K, Tyndall, J.D.A, Monk, B.C. 登録日 2016-01-24 公開日 2016-06-01 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Triazole resistance mediated by mutations of a conserved active site tyrosine in fungal lanosterol 14 alpha-demethylase. Sci Rep, 6, 2016
8DL4	S. CEREVISIAE CYP51 COMPLEXED WITH Courmarin-containing INHIBITOR 分子名称: 7-(diethylamino)-N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)propyl]-2-oxo-2H-1-benzopyran-3-carboxamide, Lanosterol 14-alpha demethylase, PENTAETHYLENE GLYCOL, ... 著者 Ruma, Y.N, Keniya, M.V, Tyndall, J.D, Monk, B.C. 登録日 2022-07-06 公開日 2022-08-17 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.91 Å) 主引用文献 S. CEREVISIAE CYP51 COMPLEXED WITH Courmarin-containing INHIBITOR To Be Published
6C3J	The crystal structure of 4-(thiophen-3-yl)benzoate-bound CYP199A4 分子名称: 4-(thiophen-3-yl)benzoic acid, CHLORIDE ION, Cytochrome P450, ... 著者 Coleman, T, Bruning, J.B, Bell, S.G. 登録日 2018-01-09 公開日 2019-01-16 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.66 Å) 主引用文献 The crystal structure of 4-(thiophen-3-yl)benzoate-bound CYP199A4 To Be Published
6C2D	The crystal structure of 4-cyclohexylbenzoate-bound CYP199A4 分子名称: 4-cyclohexylbenzoic acid, CHLORIDE ION, Cytochrome P450, ... 著者 Coleman, T, Bruning, J.B, Bell, S.G. 登録日 2018-01-08 公開日 2019-01-16 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.79 Å) 主引用文献 The crystal structure of 4-cyclohexylbenzoate-bound CYP199A4 To Be Published
6C3H	The crystal structure of 4-n-heptylbenzoate-bound CYP199A4 分子名称: 4-heptylbenzoic acid, CHLORIDE ION, Cytochrome P450, ... 著者 Coleman, T, Bruning, J.B, Bell, S.G. 登録日 2018-01-09 公開日 2019-01-16 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.705 Å) 主引用文献 The crystal structure of 4-n-heptylbenzoate-bound CYP199A4 To Be Published
7JJ1	Crystal structure of the sterol 14alpha-demethylase-ferredoxin (CYP51-fx) heme domain and architectural comparison to the whole fusion protein 分子名称: CETYL-TRIMETHYL-AMMONIUM, Cytochrome P450 51, IMIDAZOLE, ... 著者 Zhao, B, Lamb, D.C. 登録日 2020-07-24 公開日 2021-07-28 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (3 Å) 主引用文献 Crystal structure of the sterol 14alpha-demethylase-ferredoxin (CYP51-fx) heme domain and architectural comparison to the whole fusion protein To Be Published
8HGB	Crystal structure of the CYP199A4 mutant F182G in complex with 3-hydroxy-4-methoxybenzoic acid 分子名称: 4-methoxy-3-oxidanyl-benzoic acid, Cytochrome P450, GLYCEROL, ... 著者 Jiang, Y, Cong, Z. 登録日 2022-11-14 公開日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.54 Å) 主引用文献 Crystal structure of the CYP199A4 mutant F182G in complex with 3-hydroxy-4-methoxybenzoic acid To Be Published

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