5WK9
| R186AP450cam with CN and camphor | Descriptor: | CAMPHOR, CYANIDE ION, Camphor 5-monooxygenase, ... | Authors: | Poulos, T.L, Batabyal, D. | Deposit date: | 2017-07-24 | Release date: | 2017-09-06 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.983 Å) | Cite: | Effect of Redox Partner Binding on Cytochrome P450 Conformational Dynamics. J. Am. Chem. Soc., 139, 2017
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5WK7
| P450cam mutant R186A | Descriptor: | 5-EXO-HYDROXYCAMPHOR, Camphor 5-monooxygenase, POTASSIUM ION, ... | Authors: | Batabyal, D, Poulos, T.L. | Deposit date: | 2017-07-24 | Release date: | 2017-09-06 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.983 Å) | Cite: | Effect of Redox Partner Binding on Cytochrome P450 Conformational Dynamics. J. Am. Chem. Soc., 139, 2017
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5Y1I
| The crystal structure of GfsF | Descriptor: | Cytochrome P450, DI(HYDROXYETHYL)ETHER, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Miyanaga, A, Kudo, F, Eguchi, T. | Deposit date: | 2017-07-20 | Release date: | 2017-09-13 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Substrate Recognition by a Dual-Function P450 Monooxygenase GfsF Involved in FD-891 Biosynthesis Chembiochem, 18, 2017
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5OG9
| The BM3 mutant WIFI-WC heme domain in complex with testosterone | Descriptor: | Bifunctional cytochrome P450/NADPH--P450 reductase, CHLORIDE ION, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Gamble, C, Munro, A.W, Leys, D. | Deposit date: | 2017-07-12 | Release date: | 2018-08-01 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Regio- and diastereoselective hydroxylation of steroids using P450-BM3: Readdressing the numbers problem in directed evolution To Be Published
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5OFQ
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5XXI
| Crystal structure of CYP2C9 in complex with multiple losartan molecules | Descriptor: | Cytochrome P450 2C9, POTASSIUM ION, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Maekawa, K, Adachi, M, Shah, M.B. | Deposit date: | 2017-07-04 | Release date: | 2017-10-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural Basis of Single-Nucleotide Polymorphisms in Cytochrome P450 2C9 Biochemistry, 56, 2017
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5XW2
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5WBG
| Crystal Structure of human Cytochrome P450 2B6 (Y226H/K262R) in complex with an analog of a drug Efavirenz | Descriptor: | (2R,4S)-6-chloro-4-(cyclopropylethynyl)-2-methyl-4-(trifluoromethyl)-1,4-dihydro-2H-3,1-benzoxazine, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, 5-cyclohexylpentan-1-ol, ... | Authors: | Shah, M.B, Halpert, J.R. | Deposit date: | 2017-06-29 | Release date: | 2018-05-02 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.99 Å) | Cite: | Crystal Structure of CYP2B6 in Complex with an Efavirenz Analog. Int J Mol Sci, 19, 2018
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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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5O4L
| Crystal structure of P450 CYP121 in complex with compound 6a. | Descriptor: | 1-[(4-fluorophenyl)methyl]-4-(3-imidazol-1-ylpropyl)piperazin-2-one, Mycocyclosin synthase, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Levy, C.W. | Deposit date: | 2017-05-29 | Release date: | 2018-03-28 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Novel Aryl Substituted Pyrazoles as Small Molecule Inhibitors of Cytochrome P450 CYP121A1: Synthesis and Antimycobacterial Evaluation. J. Med. Chem., 60, 2017
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5O4K
| Crystal structure of P450 CYP121 in complex with compound 6b. | Descriptor: | 1-[(4-chlorophenyl)methyl]-4-(3-imidazol-1-ylpropyl)piperazin-2-one, Mycocyclosin synthase, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Levy, C.W. | Deposit date: | 2017-05-29 | Release date: | 2018-03-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Novel Aryl Substituted Pyrazoles as Small Molecule Inhibitors of Cytochrome P450 CYP121A1: Synthesis and Antimycobacterial Evaluation. J. Med. Chem., 60, 2017
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5XNT
| Structure of CYP106A2 from Bacillus sp. PAMC 23377 | Descriptor: | Cytochrome P450 CYP106, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Lee, C.W, Kim, K.-H, Bikash, D, Park, S.-H, Park, H, Oh, T.-J, Lee, J.H. | Deposit date: | 2017-05-24 | Release date: | 2018-04-04 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal Structure and Functional Characterization of a Cytochrome P450 (BaCYP106A2) fromBacillussp. PAMC 23377. J. Microbiol. Biotechnol., 27, 2017
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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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5NWS
| Crystal structure of saAcmM involved in actinomycin biosynthesis | Descriptor: | GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, TETRAETHYLENE GLYCOL, ... | Authors: | Driller, R, Semsary, S, Crnovicic, I, Vater, J, Keller, U, Loll, B. | Deposit date: | 2017-05-08 | Release date: | 2018-01-24 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.227 Å) | Cite: | Ketonization of Proline Residues in the Peptide Chains of Actinomycins by a 4-Oxoproline Synthase. Chembiochem, 19, 2018
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5XJN
| cytochrome P450 CREJ in complex with (4-ethylphenyl) dihydrogen phosphate | Descriptor: | (4-ethylphenyl) dihydrogen phosphate, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Dong, S, Du, L, Li, S, Feng, Y. | Deposit date: | 2017-05-03 | Release date: | 2017-07-12 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Selective oxidation of aliphatic C-H bonds in alkylphenols by a chemomimetic biocatalytic system Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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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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5VEU
| Human Cytochrome P450 3A5 (CYP3A5) | Descriptor: | Cytochrome P450 3A5, PROTOPORPHYRIN IX CONTAINING FE, RITONAVIR | Authors: | Hsu, M.-H, Johnson, E.F. | Deposit date: | 2017-04-05 | Release date: | 2017-11-15 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.91 Å) | Cite: | The X-Ray Crystal Structure of the Human Mono-Oxygenase Cytochrome P450 3A5-Ritonavir Complex Reveals Active Site Differences between P450s 3A4 and 3A5. Mol. Pharmacol., 93, 2018
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5VCE
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5VCD
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5VCG
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5VCC
| Crystal structure of human CYP3A4 bound to glycerol | Descriptor: | 1,2-ETHANEDIOL, Cytochrome P450 3A4, GLYCEROL, ... | Authors: | Sevrioukova, I. | Deposit date: | 2017-03-31 | Release date: | 2017-05-31 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | High-Level Production and Properties of the Cysteine-Depleted Cytochrome P450 3A4. Biochemistry, 56, 2017
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5VC0
| Crystal structure of human CYP3A4 bound to ritonavir | Descriptor: | Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, RITONAVIR | Authors: | Sevrioukova, I. | Deposit date: | 2017-03-30 | Release date: | 2017-05-31 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | High-Level Production and Properties of the Cysteine-Depleted Cytochrome P450 3A4. Biochemistry, 56, 2017
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5VBU
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5V5Z
| Structure of CYP51 from the pathogen Candida albicans | 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, Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Keniya, M.V, Sabherwal, M, Wilson, R.K, Sagatova, A.A, Tyndall, J.D.A, Monk, B.C. | Deposit date: | 2017-03-15 | Release date: | 2017-03-29 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystal Structures of Full-Length Lanosterol 14 alpha-Demethylases of Prominent Fungal Pathogens Candida albicans and Candida glabrata Provide Tools for Antifungal Discovery. Antimicrob.Agents Chemother., 62, 2018
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5XA3
| Crystal Structure of P450BM3 with Benzyloxycarbonyl-L-prolyl-L-phenylalanine | Descriptor: | Bifunctional cytochrome P450/NADPH-P450 reductase, DIMETHYL SULFOXIDE, PHENYLALANINE, ... | Authors: | Shoji, O, Yanagisawa, S, Stanfield, J.K, Suzuki, K, Kasai, C, Cong, Z, Sugimoto, H, Shiro, Y, Watanabe, Y. | Deposit date: | 2017-03-10 | Release date: | 2018-02-21 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Direct Hydroxylation of Benzene to Phenol by Cytochrome P450BM3 Triggered by Amino Acid Derivatives. Angew. Chem. Int. Ed. Engl., 56, 2017
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