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

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7UFB	CYP3A4 bound to an inhibitor 分子名称: (2R)-3-phenyl-2-({(2S)-3-phenyl-2-[2-(pyridin-3-yl)acetamido]propyl}sulfanyl)-N-[(pyridin-3-yl)methyl]propanamide, Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE 著者 Sevrioukova, I. 登録日 2022-03-22 公開日 2022-07-27 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.25 Å) 主引用文献 Interaction of CYP3A4 with Rationally Designed Ritonavir Analogues: Impact of Steric Constraints Imposed on the Heme-Ligating Group and the End-Pyridine Attachment. Int J Mol Sci, 23, 2022
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
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
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
8HGE	Crystal structure of the CYP153A mutant V456A from Marinobacter aquaeolei in complex with 12-hydroxydodecanoic acid 分子名称: 12-HYDROXYDODECANOIC ACID, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE 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 (1.53 Å) 主引用文献 Crystal structure of the CYP153A mutant V456A from Marinobacter aquaeolei in complex with 12-hydroxydodecanoic acid To Be Published
8HGD	Crystal structure of the CYP153A mutant V456A from Marinobacter aquaeolei 分子名称: Cytochrome P450, GLYCEROL, METHANOL, ... 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 (1.53 Å) 主引用文献 Crystal structure of the CYP153A mutant V456A from Marinobacter aquaeolei 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
8HOR	Crystal structure of the P450 BM3 heme domain mutant F87A in complex with Im-C6-Phe(4CH3)-Tyr 分子名称: Bifunctional cytochrome P450/NADPH--P450 reductase, Im-C6-Phe(4CH3)-Tyr, 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 2023-12-27 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Anchoring a Structurally Editable Proximal Cofactor-like Module to Construct an Artificial Dual-center Peroxygenase. Angew.Chem.Int.Ed.Engl., 62, 2023
8HOS	Crystal structure of the P450 BM3 heme domain mutant F87A in complex with Im-C6-Phe(4NO2)-Tyr 分子名称: Bifunctional cytochrome P450/NADPH--P450 reductase, Im-C6-Phe(4NO2)-Tyr, 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 2023-12-27 実験手法 X-RAY DIFFRACTION (1.82 Å) 主引用文献 Anchoring a Structurally Editable Proximal Cofactor-like Module to Construct an Artificial Dual-center Peroxygenase. Angew.Chem.Int.Ed.Engl., 62, 2023
8HOQ	Crystal structure of the P450 BM3 heme domain mutant F87A in complex with Im-C6-Phe(4CF3)-Tyr 分子名称: Bifunctional cytochrome P450/NADPH--P450 reductase, Im-C6-Phe(4CF3)-Tyr, 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 2023-12-27 実験手法 X-RAY DIFFRACTION (1.94 Å) 主引用文献 Anchoring a Structurally Editable Proximal Cofactor-like Module to Construct an Artificial Dual-center Peroxygenase. Angew.Chem.Int.Ed.Engl., 62, 2023
8HOU	Crystal structure of the P450 BM3 heme domain mutant F87A-T268V in complex with Im-N-C4-Phe-Phe 分子名称: Bifunctional cytochrome P450/NADPH--P450 reductase, Im-N-C4-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 2023-12-27 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Anchoring a Structurally Editable Proximal Cofactor-like Module to Construct an Artificial Dual-center Peroxygenase. Angew.Chem.Int.Ed.Engl., 62, 2023
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 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
8HOP	Crystal structure of the P450 BM3 heme domain mutant F87A in complex with Im-C6-Nap-Tyr 分子名称: Bifunctional cytochrome P450/NADPH--P450 reductase, Im-C6-Nap-Tyr, 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 2023-12-27 実験手法 X-RAY DIFFRACTION (1.86 Å) 主引用文献 Anchoring a Structurally Editable Proximal Cofactor-like Module to Construct an Artificial Dual-center Peroxygenase. Angew.Chem.Int.Ed.Engl., 62, 2023
8HON	Crystal structure of the P450 BM3 heme domain mutant F87A in complex with Im-C6-Tyr-Tyr 分子名称: Bifunctional cytochrome P450/NADPH--P450 reductase, Im-C6-Tyr-Tyr, 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 2023-12-27 実験手法 X-RAY DIFFRACTION (2.01 Å) 主引用文献 Anchoring a Structurally Editable Proximal Cofactor-like Module to Construct an Artificial Dual-center Peroxygenase. Angew.Chem.Int.Ed.Engl., 62, 2023
7UDF	The crystal structure of F298V CYP199A4 bound to 4-n-propylbenzoic acid 分子名称: 4-propylbenzoic acid, CHLORIDE ION, Cytochrome P450, ... 著者 Podgorski, M.N, Bell, S.G. 登録日 2022-03-18 公開日 2023-01-04 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (1.54 Å) 主引用文献 Exploring the Factors which Result in Cytochrome P450 Catalyzed Desaturation Versus Hydroxylation. Chem Asian J, 17, 2022
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
8FID	Crystal Structure of Erwinia tracheiphila CYP114 in complex with ent-kaurenoic acid (Crystal Form 2) 分子名称: (8alpha,9beta,10alpha,13alpha)-kaur-16-en-18-oic acid, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE 著者 Stewart Jr, C.E, Nagel, R. 登録日 2022-12-16 公開日 2023-07-05 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (1.83 Å) 主引用文献 Dual factors required for cytochrome-P450-mediated hydrocarbon ring contraction in bacterial gibberellin phytohormone biosynthesis. Proc.Natl.Acad.Sci.USA, 120, 2023
8FIB	Crystal Structure of Erwinia tracheiphila CYP114 分子名称: Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE 著者 Stewart Jr, C.E, Nagel, R. 登録日 2022-12-16 公開日 2023-07-05 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (1.68 Å) 主引用文献 Dual factors required for cytochrome-P450-mediated hydrocarbon ring contraction in bacterial gibberellin phytohormone biosynthesis. Proc.Natl.Acad.Sci.USA, 120, 2023
7TLO	X-ray crystal structure of substrate free cytochrome P450 CYP142A3 from Mycobacterium Marinum 分子名称: ACETATE ION, Cytochrome P450 142A3, PROTOPORPHYRIN IX CONTAINING FE 著者 Ghith, A, Bruning, J.B, Bell, S.G. 登録日 2022-01-18 公開日 2022-09-14 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 The Structures of the Steroid Binding CYP142 Cytochrome P450 Enzymes from Mycobacterium ulcerans and Mycobacterium marinum. Acs Infect Dis., 8, 2022
7UWP	Detergent-bound CYP51 from Acanthamoeba castellanii 分子名称: DODECYL-BETA-D-MALTOSIDE, PROTOPORPHYRIN IX CONTAINING FE, sterol 14a-demethylase 著者 Hargrove, T.Y, Wawrzak, Z, Lepesheva, G.I. 登録日 2022-05-03 公開日 2023-04-12 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Identification of Potent and Selective Inhibitors of Acanthamoeba: Structural Insights into Sterol 14-Demethylase as a Key Drug Target J.Med.Chem., 2024
2VE3	Retinoic acid bound cyanobacterial CYP120A1 分子名称: PROTOPORPHYRIN IX CONTAINING FE, PUTATIVE CYTOCHROME P450 120, RETINOIC ACID 著者 Kuhnel, K, Ke, N, Sligar, S.G, Schuler, M.A, Schlichting, I. 登録日 2007-10-15 公開日 2008-04-29 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Crystal Structures of Substrate-Free and Retinoic Acid-Bound Cyanobacterial Cytochrome P450 Cyp120A1. Biochemistry, 47, 2008
2VE4	Substrate free cyanobacterial CYP120A1 分子名称: PROTOPORPHYRIN IX CONTAINING FE, PUTATIVE CYTOCHROME P450 120 著者 Kuhnel, K, Ke, N, Sligar, S.G, Schuler, M.A, Schlichting, I. 登録日 2007-10-16 公開日 2008-04-29 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Crystal Structures of Substrate-Free and Retinoic Acid-Bound Cyanobacterial Cytochrome P450 Cyp120A1. Biochemistry, 47, 2008
2UUQ	Crystal structure of CYP130 from Mycobacterium tuberculosis in the ligand-free form 分子名称: CYTOCHROME P450 130, ISOPROPYL ALCOHOL, PROTOPORPHYRIN IX CONTAINING FE 著者 Podust, L.M, Ortiz de Montellano, P.R. 登録日 2007-03-07 公開日 2007-12-18 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.46 Å) 主引用文献 Mycobacterium Tuberculosis Cyp130:Crystal Mycobacterium Tuberculosis Cyp130: Crystal Structure, Biophysical Characterization, and Interactions with Antifungal Azole Drugs. J.Biol.Chem., 283, 2008
2WI9	Selective oxidation of carbolide C-H bonds by engineered macrolide P450 monooxygenase 分子名称: CYCLODODECYL 3,4,6-TRIDEOXY-3-(DIMETHYLAMINO)-BETA-D-XYLO-HEXOPYRANOSIDE, CYTOCHROME P450 HYDROXYLASE PIKC, PROTOPORPHYRIN IX CONTAINING FE, ... 著者 Li, S, Chaulagain, M.R, Knauff, A.R, Podust, L.M, Montgomery, J, Sherman, D.H. 登録日 2009-05-08 公開日 2009-10-27 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Selective Oxidation of Carbolide C-H Bonds by an Engineered Macrolide P450 Mono-Oxygenase. Proc.Natl.Acad.Sci.USA, 106, 2009
2UWH	Cytochrome P450 BM3 mutant in complex with palmitic acid 分子名称: BIFUNCTIONAL P-450: NADPH-P450 REDUCTASE, PALMITIC ACID, PROTOPORPHYRIN IX CONTAINING FE 著者 Huang, W.-C, Joyce, M.G, Westlake, A.C.G, Roberts, G.C.K, Moody, P.C.E. 登録日 2007-03-21 公開日 2007-08-28 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Filling a Hole in Cytochrome P450 Bm3 Improves Substrate Binding and Catalytic Efficiency. J.Mol.Biol., 373, 2007

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