5YQH
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![BU of 5yqh by Molmil](/molmil-images/mine/5yqh) | The crystal structure of CYP199A4 binding with 4-n-Propyl benzoic acid | Descriptor: | 4-methoxybenzamide, CHLORIDE ION, Cytochrome P450, ... | Authors: | Zhou, W, Zhang, T, Qiao, R, Bell, S, Coleman, T. | Deposit date: | 2017-11-06 | Release date: | 2019-02-27 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The crystal structure of CYP199A4 binding with 4-n-Propyl benzoic acid To Be Published
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5Z9J
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![BU of 5z9j by Molmil](/molmil-images/mine/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
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5XHJ
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![BU of 5xhj by Molmil](/molmil-images/mine/5xhj) | Crystal Structure of P450BM3 with 5-Cyclohexylvaleroyl-L-Tryptophan | Descriptor: | 5-cyclohexylpentanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Suzuki, K, Shoji, O, Stanfield, J.K, Kasai, C, Sugimoto, H, Shiro, Y, Watanabe, Y. | Deposit date: | 2017-04-21 | Release date: | 2017-12-06 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Control of stereoselectivity of benzylic hydroxylation catalysed by wild-type cytochrome P450BM3 using decoy molecules CATALYSIS SCIENCE AND TECHNOLOGY, 7, 2017
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8AA7
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![BU of 8aa7 by Molmil](/molmil-images/mine/8aa7) | Crystal structure of a staphylococcal orthologue of CYP134A1 (CYPX) in complex with a heme coordinated fragment | Descriptor: | 2,3,4,9-tetrahydro-1~{H}-pyrido[3,4-b]indole, Cytochrome P450 protein, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Snee, M, Katariya, M, Levy, C, Leys, D. | Deposit date: | 2022-06-30 | Release date: | 2023-07-12 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Crystal structure of a staphylococcal orthologue of CYP134A1 (CYPX) in complex with a heme coordinated fragment To Be Published
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8ABS
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![BU of 8abs by Molmil](/molmil-images/mine/8abs) | Crystal structure of CYP109A2 from Bacillus megaterium bound with testosterone and putative ligand 4,6-dimethyloctanoic acid | Descriptor: | (4~{S},6~{S})-4,6-dimethyloctanoic acid, Cytochrome P450, HEME B/C, ... | Authors: | Jozwik, I.K, Rozeboom, H.J, Thunnissen, A.-M.W.H. | Deposit date: | 2022-07-04 | Release date: | 2023-07-12 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Regio- and stereoselective steroid hydroxylation by CYP109A2 from Bacillus megaterium explored by X-ray crystallography and computational modeling. Febs J., 290, 2023
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8ABR
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![BU of 8abr by Molmil](/molmil-images/mine/8abr) | Crystal structure of CYP109A2 from Bacillus megaterium bound with putative ligands hexanoic acid and octanoic acid | Descriptor: | Cytochrome P450, HEME B/C, HEXANOIC ACID, ... | Authors: | Jozwik, I.K, Rozeboom, H.J, Thunnissen, A.-M.W.H. | Deposit date: | 2022-07-04 | Release date: | 2023-07-12 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Regio- and stereoselective steroid hydroxylation by CYP109A2 from Bacillus megaterium explored by X-ray crystallography and computational modeling. Febs J., 290, 2023
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5ZLH
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![BU of 5zlh by Molmil](/molmil-images/mine/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
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8AE8
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![BU of 8ae8 by Molmil](/molmil-images/mine/8ae8) | |
8ADR
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![BU of 8adr by Molmil](/molmil-images/mine/8adr) | |
5X23
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![BU of 5x23 by Molmil](/molmil-images/mine/5x23) | Crystal structure of CYP2C9 genetic variant A477T (*30) in complex with multiple losartan molecules | Descriptor: | Cytochrome P450 2C9, PHOSPHATE ION, POTASSIUM ION, ... | Authors: | Maekawa, K, Adachi, M, Shah, M.B. | Deposit date: | 2017-01-30 | Release date: | 2017-10-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Basis of Single-Nucleotide Polymorphisms in Cytochrome P450 2C9 Biochemistry, 56, 2017
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5VWS
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![BU of 5vws by Molmil](/molmil-images/mine/5vws) | Ligand free structure of Cytochrome P450 TbtJ1 | Descriptor: | Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Gober, J.G, Ghodge, S.V, Brustad, E.M, Bowers, A.A. | Deposit date: | 2017-05-22 | Release date: | 2017-06-07 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.411 Å) | Cite: | P450-Mediated Non-natural Cyclopropanation of Dehydroalanine-Containing Thiopeptides. ACS Chem. Biol., 12, 2017
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5Z9I
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![BU of 5z9i by Molmil](/molmil-images/mine/5z9i) | |
5W0C
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![BU of 5w0c by Molmil](/molmil-images/mine/5w0c) | Cytochrome P450 (CYP) 2C9 TCA007 Inhibitor Complex | Descriptor: | Cytochrome P450 2C9, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Johnson, E.F, Hsu, M.-H. | Deposit date: | 2017-05-30 | Release date: | 2017-09-13 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.001 Å) | Cite: | Determinants of the Inhibition of DprE1 and CYP2C9 by Antitubercular Thiophenes. Angew. Chem. Int. Ed. Engl., 56, 2017
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5ZIS
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![BU of 5zis by Molmil](/molmil-images/mine/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
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6A17
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![BU of 6a17 by Molmil](/molmil-images/mine/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
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6A15
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![BU of 6a15 by Molmil](/molmil-images/mine/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
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6A7J
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![BU of 6a7j by Molmil](/molmil-images/mine/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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6A18
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![BU of 6a18 by Molmil](/molmil-images/mine/6a18) | Crystal structure of CYP90B1 in complex with 1,6-hexandiol | Descriptor: | CHLORIDE ION, Cytochrome P450 90B1, GLYCEROL, ... | 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 (2.48 Å) | Cite: | Structural insights into a key step of brassinosteroid biosynthesis and its inhibition. Nat.Plants, 5, 2019
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6A7I
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![BU of 6a7i by Molmil](/molmil-images/mine/6a7i) | CYP154C4 from Streptomyces sp. W2061 | Descriptor: | Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE | 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 (2.19 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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6A16
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![BU of 6a16 by Molmil](/molmil-images/mine/6a16) | Crystal structure of CYP90B1 in complex with uniconazole | Descriptor: | (1E,3S)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pent-1-en-3-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: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.998 Å) | Cite: | Structural insights into a key step of brassinosteroid biosynthesis and its inhibition. Nat.Plants, 5, 2019
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6BD7
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![BU of 6bd7 by Molmil](/molmil-images/mine/6bd7) | Crystal structure of human CYP3A4 bound to an inhibitor | Descriptor: | Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl [(2S)-1-{[(2R)-3-oxo-2-[(propan-2-yl)amino]-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}-3-phenylpropan-2-yl]carbamate | Authors: | Sevrioukova, I. | Deposit date: | 2017-10-21 | Release date: | 2017-12-13 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.42 Å) | Cite: | Interaction of the rationally designed ritonavir-like inhibitors with human cytochrome P450 3A4: Impact of the side group interplay Mol. Pharm., 2017
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6BDH
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![BU of 6bdh by Molmil](/molmil-images/mine/6bdh) | Crystal structure of human CYP3A4 bound to an inhibitor | Descriptor: | Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl [(2S)-1-{[(2S)-3-oxo-2-(phenylamino)-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}-3-phenylpropan-2-yl]carbamate | Authors: | Sevrioukova, I. | Deposit date: | 2017-10-23 | Release date: | 2017-12-13 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Interaction of the rationally designed ritonavir-like inhibitors with human cytochrome P450 3A4: Impact of the side group interplay Mol. Pharm., 2017
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6AYC
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![BU of 6ayc by Molmil](/molmil-images/mine/6ayc) | Naegleria fowleri CYP51-itraconazole complex | Descriptor: | 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, PROTOPORPHYRIN IX CONTAINING FE, Protein CYP51 | Authors: | Debnath, A, Calvet, C.M, Jennings, G, Zhou, W, Aksenov, A, Luth, M, Abagyan, R, Nes, W.D, McKerrow, J.H, Podust, L.M. | Deposit date: | 2017-09-08 | Release date: | 2017-11-22 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | CYP51 is an essential drug target for the treatment of primary amoebic meningoencephalitis (PAM). PLoS Negl Trop Dis, 11, 2017
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6BCZ
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![BU of 6bcz by Molmil](/molmil-images/mine/6bcz) | Crystal structure of human CYP3A4 bound to an inhibitor | Descriptor: | Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl (2-{[(2R)-3-oxo-2-[(propan-2-yl)amino]-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}ethyl)carbamate | Authors: | Sevrioukova, I. | Deposit date: | 2017-10-20 | Release date: | 2017-12-13 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | Inhibition of Human CYP3A4 by Rationally Designed Ritonavir-Like Compounds: Impact and Interplay of the Side Group Functionalities. Mol Pharm., 15, 2018
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6BD6
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![BU of 6bd6 by Molmil](/molmil-images/mine/6bd6) | Crystal structure of human CYP3A4 bound to an inhibitor | Descriptor: | Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl (2-{[(2S)-3-oxo-2-(phenylamino)-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}ethyl)carbamate | Authors: | Sevrioukova, I. | Deposit date: | 2017-10-21 | Release date: | 2017-12-13 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Inhibition of Human CYP3A4 by Rationally Designed Ritonavir-Like Compounds: Impact and Interplay of the Side Group Functionalities. Mol Pharm., 15, 2018
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