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5JL9	HUMAN PLACENTAL AROMATASE CYTOCHROME P450 (CYP19A1): ANDROSTENEDIONE COMPLEX #4 Descriptor: 4-ANDROSTENE-3-17-DIONE, Aromatase, PROTOPORPHYRIN IX CONTAINING FE Authors: Ghosh, D, Lo, J, Egbuta, C. Deposit date: 2016-04-26 Release date: 2017-04-26 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (3.1 Å) Cite: Testosterone complex and non-steroidal ligands of human aromatase. J. Steroid Biochem. Mol. Biol., 2018
3TJS	Crystal Structure of the complex between human cytochrome P450 3A4 and desthiazolylmethyloxycarbonyl ritonavir Descriptor: Cytochrome P450 3A4, N-[(2S,4S,5S)-5-amino-4-hydroxy-1,6-diphenylhexan-2-yl]-N~2~-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-L-valinamide, PROTOPORPHYRIN IX CONTAINING FE Authors: Sevrioukova, I.F, Poulos, T.L. Deposit date: 2011-08-24 Release date: 2012-03-07 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (2.25 Å) Cite: Interaction of human cytochrome P4503A4 with ritonavir analogs. Arch.Biochem.Biophys., 520, 2012
5Z9J	Identification of the functions of unusual cytochrome p450-like monooxygenases involved in microbial secondary metablism Descriptor: PROTOPORPHYRIN IX CONTAINING FE, Putative P450-like enzyme, TRIS(HYDROXYETHYL)AMINOMETHANE Authors: Lu, M, Lin, L, Zhang, C, Chen, Y. Deposit date: 2018-02-03 Release date: 2019-02-06 Last modified: 2024-03-27 Method: X-RAY DIFFRACTION (2 Å) Cite: Riboflavin Is Directly Involved in the N-Dealkylation Catalyzed by Bacterial Cytochrome P450 Monooxygenases. Chembiochem, 2020
5ZLH	Crystal structure of Mn-ProtoporphyrinIX-reconstituted P450BM3 Descriptor: Bifunctional cytochrome P450/NADPH--P450 reductase, MANGANESE PROTOPORPHYRIN IX Authors: Omura, K, Aiba, Y, Onoda, H, Sugimoto, H, Shoji, O, Watanabe, Y. Deposit date: 2018-03-28 Release date: 2018-08-15 Last modified: 2024-03-27 Method: X-RAY DIFFRACTION (3.4 Å) Cite: Reconstitution of full-length P450BM3 with an artificial metal complex by utilising the transpeptidase Sortase A. Chem. Commun. (Camb.), 54, 2018
3TK3	Cytochrome P450 2B4 mutant L437A in complex with 4-(4-chlorophenyl)imidazole Descriptor: 4-(4-CHLOROPHENYL)IMIDAZOLE, Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE Authors: Gay, S.C, Jang, H.H, Wilderman, P.R, Zhang, Q, Stout, C.D, Halpert, J.R. Deposit date: 2011-08-25 Release date: 2011-11-16 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (2.8001 Å) Cite: Investigation by site-directed mutagenesis of the role of cytochrome P450 2B4 non-active-site residues in protein-ligand interactions based on crystal structures of the ligand-bound enzyme. Febs J., 279, 2012
5KDZ	The crystal structure of the T252A mutant of CYP199A4 in complex with 4-methoxybenzoate Descriptor: 4-METHOXYBENZOIC ACID, CHLORIDE ION, Cytochrome P450, ... Authors: Coleman, T, Bruning, J.B, Bell, S.G. Deposit date: 2016-06-08 Release date: 2018-02-07 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (1.424 Å) Cite: The crystal structure of the T252A mutant of CYP199A4 in complex with 4-methoxybenzoate To Be Published
3TKT	Crystal structure of CYP108D1 from Novosphingobium aromaticivorans DSM12444 Descriptor: Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE Authors: Yang, W, Bell, S.G, Wang, H, Zhou, W, Bartlam, M, Wong, L.-L, Rao, Z. Deposit date: 2011-08-29 Release date: 2012-02-29 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Structure and function of CYP108D1 from Novosphingobium aromaticivorans DSM12444: an aromatic hydrocarbon-binding P450 enzyme Acta Crystallogr.,Sect.D, 68, 2012
5JQ2	Crystal structure of the Ru(bpy)2PhenA functionalized P450 BM3 L407C heme domain mutant in complex with N-palmitoylglycine Descriptor: N-PALMITOYLGLYCINE, P450 BM3 L407C heme domain mutant, PROTOPORPHYRIN IX CONTAINING FE, ... Authors: Kloos, M. Deposit date: 2016-05-04 Release date: 2016-10-12 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (2 Å) Cite: Insights into an efficient light-driven hybrid P450 BM3 enzyme from crystallographic, spectroscopic and biochemical studies. Biochim.Biophys.Acta, 1864, 2016
5KDB	The crystal structure of 4-isopropylbenzoate-bound CYP199A4 Descriptor: 4-propan-2-ylbenzoic acid, CHLORIDE ION, Cytochrome P450, ... Authors: Coleman, T, Bruning, J.B, Bell, S.G. Deposit date: 2016-06-07 Release date: 2018-02-07 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (1.644 Å) Cite: The crystal structure of 4-isopropylbenzoate-bound CYP199A4 To Be Published
5Z9I	Identification of the functions of unusual cytochrome p450-like monooxygenases involved in microbial secondary metablism Descriptor: PROTOPORPHYRIN IX CONTAINING FE, Putative P450-like enzyme Authors: Lu, M, Lin, L, Zhang, C, Chen, Y. Deposit date: 2018-02-03 Release date: 2019-02-06 Last modified: 2024-03-27 Method: X-RAY DIFFRACTION (2.199 Å) Cite: Riboflavin Is Directly Involved in the N-Dealkylation Catalyzed by Bacterial Cytochrome P450 Monooxygenases. Chembiochem, 2020
3TYW	Crystal Structure of CYP105N1 from Streptomyces coelicolor A3(2) Descriptor: PROTOPORPHYRIN IX CONTAINING FE, Putative cytochrome P450 Authors: Zhao, B, Waterman, M.R. Deposit date: 2011-09-26 Release date: 2012-07-11 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (2.9 Å) Cite: Crystal Structure of CYP105N1 from Streptomyces coelicolor A3(2) To be Published
3UA5	Crystal Structure of P450 2B6 (Y226H/K262R) in complex with two molecules of Amlodipine Descriptor: Amlodipine, Cytochrome P450 2B6, PROTOPORPHYRIN IX CONTAINING FE Authors: Shah, M.B, Stout, C.D, Halpert, J.R. Deposit date: 2011-10-21 Release date: 2012-09-12 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (2.8 Å) Cite: Conformational Adaptation of Human Cytochrome P450 2B6 and Rabbit Cytochrome P450 2B4 Revealed upon Binding Multiple Amlodipine Molecules. Biochemistry, 51, 2012
5K7K	Design and Optimization of Biaryl Ether Aryl Sulfonamides as Selective Inhibitors of NaV1.7: Discovery of Clinical Candidate PF-05089771 Descriptor: 4-[4-chloranyl-2-(1~{H}-pyrazol-4-yl)phenoxy]-3-cyano-~{N}-(1,3-thiazol-2-yl)benzenesulfonamide, Cytochrome P450 2C9, PROTOPORPHYRIN IX CONTAINING FE Authors: Swain, N, Chrencik, J. Deposit date: 2016-05-26 Release date: 2017-06-07 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Discovery of Clinical Candidate 4-[2-(5-Amino-1H-pyrazol-4-yl)-4-chlorophenoxy]-5-chloro-2-fluoro-N-1,3-thiazol-4-ylbenzenesulfonamide (PF-05089771): Design and Optimization of Diaryl Ether Aryl Sulfonamides as Selective Inhibitors of NaV1.7. J. Med. Chem., 60, 2017
3RWL	Structure of P450pyr hydroxylase Descriptor: Cytochrome P450 alkane hydroxylase 1 CYP153A7, PROTOPORPHYRIN IX CONTAINING FE Authors: Pompidor, G. Deposit date: 2011-05-09 Release date: 2012-04-18 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (2 Å) Cite: Evolving P450pyr hydroxylase for highly enantioselective hydroxylation at non-activated carbon atom. Chem.Commun.(Camb.), 48, 2012
3RUK	Human Cytochrome P450 CYP17A1 in complex with Abiraterone Descriptor: Abiraterone, PROTOPORPHYRIN IX CONTAINING FE, Steroid 17-alpha-hydroxylase/17,20 lyase Authors: DeVore, N.M, Scott, E.E. Deposit date: 2011-05-05 Release date: 2012-01-25 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (2.6 Å) Cite: Structures of cytochrome P450 17A1 with prostate cancer drugs abiraterone and TOK-001. Nature, 482, 2012
5KDY	The crystal structure of the D251N mutant of CYP199A4 in complex with 4-methoxybenzoate Descriptor: 4-METHOXYBENZOIC ACID, CHLORIDE ION, Cytochrome P450, ... Authors: Coleman, T, Bruning, J.B, Bell, S.G. Deposit date: 2016-06-08 Release date: 2018-02-07 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (1.589 Å) Cite: The crystal structure of the D251N mutant of CYP199A4 in complex with 4-methoxybenzoate To Be Published
3T3R	Human Cytochrome P450 2A6 in complex with Pilocarpine Descriptor: (3S,4R)-3-ethyl-4-[(1-methyl-1H-imidazol-5-yl)methyl]dihydrofuran-2(3H)-one, Cytochrome P450 2A6, PROTOPORPHYRIN IX CONTAINING FE Authors: DeVore, N.M, Scott, E.E. Deposit date: 2011-07-25 Release date: 2011-12-07 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Structural comparison of cytochromes P450 2A6, 2A13, and 2E1 with pilocarpine. Febs J., 279, 2012
3TDA	Competitive replacement of thioridazine by prinomastat in crystals of cytochrome P450 2D6 Descriptor: Cytochrome P450 2D6, PROTOPORPHYRIN IX CONTAINING FE, Prinomastat, ... Authors: Wang, A, Stout, C.D, Johnson, E.F. Deposit date: 2011-08-10 Release date: 2012-08-15 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (2.67 Å) Cite: Contributions of Ionic Interactions and Protein Dynamics to Cytochrome P450 2D6 (CYP2D6) Substrate and Inhibitor Binding. J.Biol.Chem., 290, 2015
5ZIS	Crystal structure of Mn-ProtoporphyrinIX-reconstituted P450BM3 Descriptor: Bifunctional cytochrome P450/NADPH--P450 reductase, MANGANESE PROTOPORPHYRIN IX Authors: Omura, K, Aiba, Y, Onoda, H, Sugimoto, H, Shoji, O, Watanabe, Y. Deposit date: 2018-03-17 Release date: 2018-08-15 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (3.1 Å) Cite: Reconstitution of full-length P450BM3 with an artificial metal complex by utilising the transpeptidase Sortase A. Chem. Commun. (Camb.), 54, 2018
3T3Q	Human Cytochrome P450 2A6 I208S/I300F/G301A/S369G in complex with Pilocarpine Descriptor: (3S,4R)-3-ethyl-4-[(1-methyl-1H-imidazol-5-yl)methyl]dihydrofuran-2(3H)-one, Cytochrome P450 2A6, PROTOPORPHYRIN IX CONTAINING FE Authors: DeVore, N.M, Scott, E.E. Deposit date: 2011-07-25 Release date: 2011-12-07 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Structural comparison of cytochromes P450 2A6, 2A13, and 2E1 with pilocarpine. Febs J., 279, 2012
6A17	Crystal structure of CYP90B1 in complex with brassinazole Descriptor: (2R,3S)-4-(4-chlorophenyl)-2-phenyl-3-(1H-1,2,4-triazol-1-yl)butan-2-ol, CHLORIDE ION, Cytochrome P450 90B1, ... Authors: Fujiyama, K, Hino, T, Kanadani, M, Mizutani, M, Nagano, S. Deposit date: 2018-06-06 Release date: 2019-06-12 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (2.301 Å) Cite: Structural insights into a key step of brassinosteroid biosynthesis and its inhibition. Nat.Plants, 5, 2019
3S7S	Crystal structure of human placental aromatase complexed with breast cancer drug exemestane Descriptor: (8alpha,10alpha,13alpha)-6-methylideneandrosta-1,4-diene-3,17-dione, Cytochrome P450 19A1, PROTOPORPHYRIN IX CONTAINING FE Authors: Ghosh, D. Deposit date: 2011-05-26 Release date: 2012-06-06 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (3.21 Å) Cite: Novel aromatase inhibitors by structure-guided design. J.Med.Chem., 55, 2012
6A15	Structure of CYP90B1 in complex with cholesterol Descriptor: CHLORIDE ION, CHOLESTEROL, Cytochrome P450 90B1, ... Authors: Fujiyama, K, Hino, T, Kanadani, M, Mizutani, M, Nagano, S. Deposit date: 2018-06-06 Release date: 2019-06-12 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (1.79 Å) Cite: Structural insights into a key step of brassinosteroid biosynthesis and its inhibition. Nat.Plants, 5, 2019
3SN5	Crystal structure of human CYP7A1 in complex with cholest-4-en-3-one Descriptor: (8ALPHA,9BETA)-CHOLEST-4-EN-3-ONE, Cholesterol 7-alpha-monooxygenase, PROTOPORPHYRIN IX CONTAINING FE, ... Authors: Strushkevich, N, Tempel, W, MacKenzie, F, Wernimont, A.K, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Park, H, Structural Genomics Consortium (SGC) Deposit date: 2011-06-28 Release date: 2011-07-13 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (2.75 Å) Cite: Crystal structure of human CYP7A1 in complex with cholest-4-en-3-one To be Published
6A7J	Testerone bound CYP154C4 from Streptomyces sp. ATCC 11861 Descriptor: Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE, TESTOSTERONE Authors: Lee, C.W, Lee, J.H. Deposit date: 2018-07-03 Release date: 2019-01-16 Last modified: 2024-03-27 Method: X-RAY DIFFRACTION (2.71 Å) Cite: Characterization of two steroid hydroxylases from different Streptomyces spp. and their ligand-bound and -unbound crystal structures. Febs J., 286, 2019

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