7QQ7
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7QWN
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![BU of 7qwn by Molmil](/molmil-images/mine/7qwn) | Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with an inhibitor | Descriptor: | CHLORIDE ION, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, ... | Authors: | Snee, M, Katariya, M, Levy, C, Leys, D. | Deposit date: | 2022-01-25 | Release date: | 2023-02-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Structure Based Discovery of Inhibitors of CYP125 and CYP142 from Mycobacterium tuberculosis. Chemistry, 29, 2023
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7RL2
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7RTQ
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![BU of 7rtq by Molmil](/molmil-images/mine/7rtq) | Sterol 14alpha demethylase (CYP51) from Naegleria fowleri in complex with an inhibitor R)-N-(1-(3,4'-difluorobiphenyl-4-yl)-2-(1H-imidazol-1-yl)ethyl)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide | Descriptor: | N-[(1R)-2-(1H-imidazol-1-yl)-1-(3,4',5-trifluoro[1,1'-biphenyl]-4-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide, PROTOPORPHYRIN IX CONTAINING FE, Protein CYP51 | Authors: | Lepesheva, G.I, Hargrove, T.Y, Wawrzak, Z. | Deposit date: | 2021-08-13 | Release date: | 2021-11-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Relaxed Substrate Requirements of Sterol 14 alpha-Demethylase from Naegleria fowleri Are Accompanied by Resistance to Inhibition. J.Med.Chem., 64, 2021
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4UAX
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6JZS
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![BU of 6jzs by Molmil](/molmil-images/mine/6jzs) | Structure of the Manganese Protoporphyrin IX-Reconstituted CYP102A1 Haem Domain with N-Abietoyl-L-Tryptophan in complex with Pyridine | Descriptor: | (2S)-2-[[(1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl]carbonylamino]-3-( 1H-indol-3-yl)propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, GLYCEROL, ... | Authors: | Stanfield, J.K, Omura, K, Matsumoto, A, Kasai, C, Sugimoto, H, Shiro, Y, Watanabe, Y, Shoji, O. | Deposit date: | 2019-05-03 | Release date: | 2020-03-18 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Crystals in Minutes: Instant On-Site Microcrystallisation of Various Flavours of the CYP102A1 (P450BM3) Haem Domain. Angew.Chem.Int.Ed.Engl., 59, 2020
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7OW9
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![BU of 7ow9 by Molmil](/molmil-images/mine/7ow9) | Crystal structure of a staphylococcal orthologue of CYP134A1 (CYPX) in complex with Cyclo-L-leucyl-L-leucine | Descriptor: | (3S,6S)-3,6-bis(2-methylpropyl)piperazine-2,5-dione, CYPX, NITRATE ION, ... | Authors: | Snee, M, Levy, C, Leys, D, Katariya, M, Munro, A.W. | Deposit date: | 2021-06-17 | Release date: | 2021-08-25 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of a staphylococcal orthologue of CYP134A1 (CYPX) in complex with Cyclo-L-leucyl-L-leucine To Be Published
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4TUV
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6KFW
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4TVF
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![BU of 4tvf by Molmil](/molmil-images/mine/4tvf) | OxyB from Actinoplanes teichomyceticus | Descriptor: | OxyB, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Haslinger, K, Cryle, M.J. | Deposit date: | 2014-06-26 | Release date: | 2014-11-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Cytochrome P450 OxyBtei Catalyzes the First Phenolic Coupling Step in Teicoplanin Biosynthesis. Chembiochem, 15, 2014
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7P6L
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![BU of 7p6l by Molmil](/molmil-images/mine/7p6l) | Heme domain of CYP505A30, a fungal hydroxylase from Myceliophthora thermophila, bound to dodecanoic acid | Descriptor: | Bifunctional cytochrome P450/NADPH--P450 reductase, LAURIC ACID, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Opperman, D.J, Aschenbrenner, J.C, Tolmie, C, Ebrecht, A.C. | Deposit date: | 2021-07-16 | Release date: | 2022-02-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Structure of the fungal hydroxylase, CYP505A30, and rational transfer of mutation data from CYP102A1 to alter regioselectivity Catalysis Science And Technology, 11, 2021
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4UBS
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![BU of 4ubs by Molmil](/molmil-images/mine/4ubs) | The crystal structure of cytochrome P450 105D7 from Streptomyces avermitilis in complex with Diclofenac | Descriptor: | 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID, DI(HYDROXYETHYL)ETHER, PHOSPHATE ION, ... | Authors: | Xu, L.H, Ikeda, H, Arakawa, T, Wakagi, T, Shoun, H, Fushinobu, S. | Deposit date: | 2014-08-13 | Release date: | 2014-11-05 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural basis for the 4'-hydroxylation of diclofenac by a microbial cytochrome P450 monooxygenase. Appl.Microbiol.Biotechnol., 99, 2015
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6L1A
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![BU of 6l1a by Molmil](/molmil-images/mine/6l1a) | Crystal Structure of P450BM3 with N-enanthoyl-L-prolyl-L-phenylalanine | Descriptor: | (2S)-2-[[(2S)-1-heptanoylpyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, DIMETHYL SULFOXIDE, ... | Authors: | Shoji, O, Yonemura, K. | Deposit date: | 2019-09-28 | Release date: | 2020-09-30 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Systematic Evolution of Decoy Molecules for the Highly Efficient Hydroxylation of Benzene and Small Alkanes Catalyzed by Wild-Type Cytochrome P450BM3 Acs Catalysis, 10, 2020
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4UMZ
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![BU of 4umz by Molmil](/molmil-images/mine/4umz) | PikC D50N mutant in complex with the engineered substrate mimic bearing a 2-dimethylaminomethylbenzoate group | Descriptor: | (3R,4S,5S,7R,9E,11R,12R)-12-ethyl-3,5,7,11-tetramethyl-2,8-dioxooxacyclododec-9-en-4-yl 2-[(dimethylamino)methyl]benzoate, CYTOCHROME P450 HYDROXYLASE PIKC, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Podust, L.M, Vieira, D.F. | Deposit date: | 2014-05-22 | Release date: | 2015-06-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Recognition of Synthetic Substrates by P450 Pikc To be Published
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6KZS
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![BU of 6kzs by Molmil](/molmil-images/mine/6kzs) | Crystal structure of cytochrome P450mel 107F1 in complex with heme and imidazole | Descriptor: | Cytochrome P-450, IMIDAZOLE, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Hou, X.D, Rao, Y.J, Icyishaka, P, Li, C.X, Lou, J.L. | Deposit date: | 2019-09-25 | Release date: | 2020-09-23 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.601 Å) | Cite: | Crystallization and X-ray analysis of cytochrome P450mel 107F1 with biaryl coupling reactivity To Be Published
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7OQ6
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![BU of 7oq6 by Molmil](/molmil-images/mine/7oq6) | Crystal structure of cytochrome P450 Sas16 from Streptomyces asterosporus | Descriptor: | Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE, THIOCYANATE ION | Authors: | Zhang, L, Zhang, S, Bechthold, A, Einsle, O. | Deposit date: | 2021-06-02 | Release date: | 2022-06-22 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | P450-mediated dehydrotyrosine formation during WS9326 biosynthesis proceeds via dehydrogenation of a specific acylated dipeptide substrate. Acta Pharm Sin B, 13, 2023
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4UHI
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![BU of 4uhi by Molmil](/molmil-images/mine/4uhi) | HUMAN STEROL 14-ALPHA DEMETHYLASE (CYP51) IN COMPLEX WITH VFV IN C121 SPACE GROUP | Descriptor: | N-[(1R)-1-(3,4'-difluorobiphenyl-4-yl)-2-(1H-imidazol-1-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide, PROTOPORPHYRIN IX CONTAINING FE, STEROL 14-ALPHA DEMETHYLASE | Authors: | Hargrove, T.Y, Wawrzak, Z, I Lepesheva, G. | Deposit date: | 2015-03-24 | Release date: | 2016-06-08 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Human Sterol 14Alpha-Demethylase (Cyp51) as a Target for Anticancer Chemotherapy: Towards Structure-Aided Drug Design. J.Lipid Res., 57, 2016
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6KZT
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![BU of 6kzt by Molmil](/molmil-images/mine/6kzt) | Crystal structure of cytochrome P450mel 107F1 with biaryl coupling reactivity | Descriptor: | Cytochrome P-450, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Hou, X.D, Rao, Y.J, Icyishaka, P, Li, C.X, Lou, J.L. | Deposit date: | 2019-09-25 | Release date: | 2020-09-23 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Crystallization and X-ray analysis of cytochrome P450mel 107F1 with biaryl coupling reactivity To Be Published
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6L3A
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![BU of 6l3a by Molmil](/molmil-images/mine/6l3a) | Cytochrome P450 107G1 (RapN) with everolimus | Descriptor: | Cytochrome P450, Everolimus, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Km, V.C, Kim, D.H, Lim, Y.R, Lee, I.H, Lee, J.H, Kang, L.W. | Deposit date: | 2019-10-10 | Release date: | 2020-09-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural insights into CYP107G1 from rapamycin-producing Streptomyces rapamycinicus. Arch.Biochem.Biophys., 692, 2020
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6L8I
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![BU of 6l8i by Molmil](/molmil-images/mine/6l8i) | Crystal structure of CYP97A3 mutant S290D/W300L/S304V | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, Protein LUTEIN DEFICIENT 5, chloroplastic | Authors: | Niu, G, Guo, Q, Liu, L. | Deposit date: | 2019-11-06 | Release date: | 2020-06-10 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural basis for plant lutein biosynthesis from alpha-carotene. Proc.Natl.Acad.Sci.USA, 117, 2020
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4UHL
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![BU of 4uhl by Molmil](/molmil-images/mine/4uhl) | HUMAN STEROL 14-ALPHA DEMETHYLASE (CYP51) IN COMPLEX WITH VFV IN P1 SPACE GROUP | Descriptor: | N-[(1R)-1-(3,4'-difluorobiphenyl-4-yl)-2-(1H-imidazol-1-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide, PROTOPORPHYRIN IX CONTAINING FE, STEROL 14-ALPHA DEMETHYLASE | Authors: | Hargrove, T.Y, Wawrzak, Z, I Lepesheva, G. | Deposit date: | 2015-03-24 | Release date: | 2016-06-15 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Human Sterol 14Alpha-Demethylase (Cyp51) as a Target for Anticancer Chemotherapy: Towards Structure-Aided Drug Design. J.Lipid Res., 57, 2016
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7P5T
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![BU of 7p5t by Molmil](/molmil-images/mine/7p5t) | Structure of CYP142 from Mycobacterium tuberculosis in complex with inhibitor MEK216 | Descriptor: | BROMIDE ION, POTASSIUM ION, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Snee, M, Kavanagh, M, Tunnicliffe, R, McLean, K, Levy, C, Munro, A. | Deposit date: | 2021-07-14 | Release date: | 2022-11-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Structure of CYP142 from Mycobacterium tuberculosis in complex with inhibitor MEK216 To Be Published
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6L39
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![BU of 6l39 by Molmil](/molmil-images/mine/6l39) | Cytochrome P450 107G1 (RapN) | Descriptor: | Cytochrome P450, DI(HYDROXYETHYL)ETHER, PHOSPHATE ION, ... | Authors: | Kim, V.C, Kim, D.H, Lim, Y.R, Lee, I.H, Lee, J.H, Kang, L.W. | Deposit date: | 2019-10-10 | Release date: | 2020-09-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.97 Å) | Cite: | Structural insights into CYP107G1 from rapamycin-producing Streptomyces rapamycinicus. Arch.Biochem.Biophys., 692, 2020
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5OMS
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![BU of 5oms by Molmil](/molmil-images/mine/5oms) | Crystal structure of Amycolatopsis cytochrome P450 GcoA in complex with guaethol. | Descriptor: | 2-ethoxyphenol, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Mallinson, S.J.B, Johnson, C.W, Neidle, E.L, Beckham, G.T, McGeehan, J.E. | Deposit date: | 2017-08-01 | Release date: | 2018-07-04 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | A promiscuous cytochrome P450 aromatic O-demethylase for lignin bioconversion. Nat Commun, 9, 2018
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4UYL
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![BU of 4uyl by Molmil](/molmil-images/mine/4uyl) | Crystal structure of sterol 14-alpha demethylase (CYP51B) from a pathogenic filamentous fungus Aspergillus fumigatus in complex with VNI | Descriptor: | 14-ALPHA STEROL DEMETHYLASE, N-[(1R)-1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Hargrove, T.Y, Wawrzak, Z, Lepesheva, G.I. | Deposit date: | 2014-09-01 | Release date: | 2015-08-19 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | Structure-Functional Characterization of Cytochrome P450 Sterol Alpha-Demethylase (Cyp51B) from Aspergillus Fumigatus and Molecular Basis for the Development of Antifungal Drugs J.Biol.Chem., 290, 2015
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