1CP4
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![BU of 1cp4 by Molmil](/molmil-images/mine/1cp4) | FORMATION, CRYSTAL STRUCTURE, AND REARRANGEMENT OF A CYTOCHROME P450-CAM IRON-PHENYL COMPLEX | Descriptor: | BENZENE, CYTOCHROME P450-CAM, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Raag, R, Poulos, T.L. | Deposit date: | 1991-06-04 | Release date: | 1993-01-15 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Formation, crystal structure, and rearrangement of a cytochrome P-450cam iron-phenyl complex. Biochemistry, 29, 1990
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3WRH
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![BU of 3wrh by Molmil](/molmil-images/mine/3wrh) | Crystal structure of P450cam | Descriptor: | CAMPHOR, Camphor 5-monooxygenase, POTASSIUM ION, ... | Authors: | Kishimoto, A, Takagi, K, Amano, A, Sakurai, K, Mizushima, T, Shimada, H. | Deposit date: | 2014-02-25 | Release date: | 2015-03-18 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Structure of P450cam intermedite To be Published
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3ZKP
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![BU of 3zkp by Molmil](/molmil-images/mine/3zkp) | |
7F3H
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![BU of 7f3h by Molmil](/molmil-images/mine/7f3h) | Crystal structure of cytochrome P450DA heme domain | Descriptor: | Bifunctional cytochrome P450/NADPH--P450 reductase, PROTOPORPHYRIN IX CONTAINING FE, SERINE, ... | Authors: | Wan, N.W. | Deposit date: | 2021-06-16 | Release date: | 2021-07-28 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Directed evolution of cytochrome P450DA hydroxylase activity for stereoselective biohydroxylation Catalysis Science And Technology, 12, 2022
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3ZG3
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![BU of 3zg3 by Molmil](/molmil-images/mine/3zg3) | STEROL 14-ALPHA DEMETHYLASE (CYP51)FROM TRYPANOSOMA CRUZI IN COMPLEX WITH THE PYRIDINE INHIBITOR N-(1-(5-(trifluoromethyl)(pyridin-2-yl)) piperidin-4yl)-N-(4-(trifluoromethyl)phenyl)pyridin-3-amine (EPL- BS967, UDD) | Descriptor: | N-[4-(trifluoromethyl)phenyl]-N-[1-[5-(trifluoromethyl)pyridin-2-yl]piperidin-4-yl]pyridin-3-amine, PROTOPORPHYRIN IX CONTAINING FE, STEROL 14-ALPHA DEMETHYLASE | Authors: | Hargrove, T.Y, Wawrzak, Z, Keenan, M, Chatelain, E, Lepesheva, G.I. | Deposit date: | 2012-12-14 | Release date: | 2013-09-25 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Complexes of Trypanosoma Cruzi Sterol 14Alpha-Demethylase (Cyp51) with Two Pyridine-Based Drug Candidates for Chagas Disease: Structural Basis for Pathogen-Selectivity J.Biol.Chem., 288, 2013
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6RQ3
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![BU of 6rq3 by Molmil](/molmil-images/mine/6rq3) | CYP121 in complex with 2,6-dimethyl dicyclotyrosine | Descriptor: | (3~{S},6~{S})-3-[(2,6-dimethyl-4-oxidanyl-phenyl)methyl]-6-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Mycocyclosin synthase, ... | Authors: | Poddar, H, Levy, C. | Deposit date: | 2019-05-15 | Release date: | 2020-04-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structure-Activity Relationships of cyclo (l-Tyrosyl-l-tyrosine) Derivatives Binding to Mycobacterium tuberculosis CYP121: Iodinated Analogues Promote Shift to High-Spin Adduct. J.Med.Chem., 62, 2019
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6RQE
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![BU of 6rqe by Molmil](/molmil-images/mine/6rqe) | CYP121 in complex with 3-acetylene dicyclotyrosine | Descriptor: | 3-acetylene dicyclotyrosine, Mycocyclosin synthase, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Poddar, H, Levy, C. | Deposit date: | 2019-05-15 | Release date: | 2020-04-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | Structure-Activity Relationships ofcyclo(l-Tyrosyl-l-tyrosine) Derivatives Binding toMycobacterium tuberculosisCYP121: Iodinated Analogues Promote Shift to High-Spin Adduct. J.Med.Chem., 62, 2019
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6TET
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![BU of 6tet by Molmil](/molmil-images/mine/6tet) | The structure of CYP121 in complex with inhibitor L21 | Descriptor: | 1,2-ETHANEDIOL, 1-[(~{E})-3-[4-(4-fluorophenyl)phenyl]prop-2-enyl]imidazole, Mycocyclosin synthase, ... | Authors: | Adam, S, Koehnke, J. | Deposit date: | 2019-11-12 | Release date: | 2021-05-26 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.49986887 Å) | Cite: | Structure-Activity Relationship and Mode-Of-Action Studies Highlight 1-(4-Biphenylylmethyl)-1H-imidazole-Derived Small Molecules as Potent CYP121 Inhibitors. Chemmedchem, 16, 2021
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6TEV
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![BU of 6tev by Molmil](/molmil-images/mine/6tev) | The structure of CYP121 in complex with inhibitor L44 | Descriptor: | 1,2-ETHANEDIOL, 1-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]imidazole, Mycocyclosin synthase, ... | Authors: | Adam, S, Koehnke, J. | Deposit date: | 2019-11-12 | Release date: | 2021-05-26 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.70001268 Å) | Cite: | Structure-Activity Relationship and Mode-Of-Action Studies Highlight 1-(4-Biphenylylmethyl)-1H-imidazole-Derived Small Molecules as Potent CYP121 Inhibitors. Chemmedchem, 16, 2021
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6TE7
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![BU of 6te7 by Molmil](/molmil-images/mine/6te7) | The structure of CYP121 in complex with inhibitor S2 | Descriptor: | 1,2-ETHANEDIOL, 2-chloranyl-4-[4-[(1~{R})-1-imidazol-1-ylprop-2-enyl]phenyl]phenol, Mycocyclosin synthase, ... | Authors: | Adam, S, Koehnke, J. | Deposit date: | 2019-11-11 | Release date: | 2021-05-26 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.50001824 Å) | Cite: | Structure-Activity Relationship and Mode-Of-Action Studies Highlight 1-(4-Biphenylylmethyl)-1H-imidazole-Derived Small Molecules as Potent CYP121 Inhibitors. Chemmedchem, 16, 2021
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6T0H
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![BU of 6t0h by Molmil](/molmil-images/mine/6t0h) | Crystal structure of CYP124 in complex with 1-alpha-hydroxy-vitamin D3 | Descriptor: | 1-alpha-hydroxy-vitamin D3, CHLORIDE ION, CYP124 in complex with inhibitor carbethoxyhexyl imidazole, ... | Authors: | Bukhdruker, S, Marin, E, Varaksa, T, Gilep, A, Strushkevich, N, Borshchevskiy, V. | Deposit date: | 2019-10-03 | Release date: | 2020-10-14 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.18 Å) | Cite: | Metabolic Fate of Human Immunoactive Sterols in Mycobacterium tuberculosis. J.Mol.Biol., 433, 2021
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6T0J
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![BU of 6t0j by Molmil](/molmil-images/mine/6t0j) | Crystal structure of CYP124 in complex with SQ109 | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FORMIC ACID, GLYCEROL, ... | Authors: | Bukhdruker, S, Marin, E, Varaksa, T, Gilep, A, Strushkevich, N, Borshchevskiy, V. | Deposit date: | 2019-10-03 | Release date: | 2020-10-14 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Hydroxylation of Antitubercular Drug Candidate, SQ109, by Mycobacterial Cytochrome P450. Int J Mol Sci, 21, 2020
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6U3K
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![BU of 6u3k by Molmil](/molmil-images/mine/6u3k) | The crystal structure of 4-(pyridin-2-yl)benzoate-bound CYP199A4 | Descriptor: | 4-(pyridin-2-yl)benzoic acid, CHLORIDE ION, Cytochrome P450, ... | Authors: | Podgorski, M.N, Bruning, J.B, Bell, S.G. | Deposit date: | 2019-08-21 | Release date: | 2020-02-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Biophysical Techniques for Distinguishing Ligand Binding Modes in Cytochrome P450 Monooxygenases. Biochemistry, 59, 2020
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3WRI
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![BU of 3wri by Molmil](/molmil-images/mine/3wri) | Crystal structure of P450cam | Descriptor: | CAMPHOR, Camphor 5-monooxygenase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Kishimoto, A, Takagi, K, Amano, A, Sakurai, K, Mizushima, T, Shimada, H. | Deposit date: | 2014-02-25 | Release date: | 2015-03-18 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structure of P450cam intermediate To be Published
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3WRM
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![BU of 3wrm by Molmil](/molmil-images/mine/3wrm) | Crystal structure of P450cam | Descriptor: | CAMPHOR, Camphor 5-monooxygenase, POTASSIUM ION, ... | Authors: | Kishimoto, A, Takagi, K, Amano, A, Sakurai, K, Mizushima, T, Shimada, H. | Deposit date: | 2014-02-25 | Release date: | 2015-03-18 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structure of P450cam intermedite To be published
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4APY
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![BU of 4apy by Molmil](/molmil-images/mine/4apy) | Ethylene glycol-bound form of P450 CYP125A3 from Mycobacterium smegmatis | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, P450 HEME-THIOLATE PROTEIN, ... | Authors: | Frank, D.J, Garcia Fernandez, E, Kells, P.M, Garcia Lopez, J.L, Podust, L.M, Ortiz de Montellano, P.R. | Deposit date: | 2012-04-09 | Release date: | 2013-02-27 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A Highly Conserved Mycobacterial Cholesterol Catabolic Pathway. Environ.Microbiol., 15, 2013
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6UNN
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![BU of 6unn by Molmil](/molmil-images/mine/6unn) | |
1DT6
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![BU of 1dt6 by Molmil](/molmil-images/mine/1dt6) | STRUCTURE OF MAMMALIAN CYTOCHROME P450 2C5 | Descriptor: | CYTOCHROME P450 2C5, PROTOPORPHYRIN IX CONTAINING FE, SAMARIUM (III) ION, ... | Authors: | Williams, P.A, Cosme, J, Sridhar, V, Johnson, E.F, McRee, D.E. | Deposit date: | 2000-01-11 | Release date: | 2000-09-27 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Mammalian microsomal cytochrome P450 monooxygenase: structural adaptations for membrane binding and functional diversity. Mol.Cell, 5, 2000
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7CCF
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![BU of 7ccf by Molmil](/molmil-images/mine/7ccf) | Mechanism insights on steroselective oxidation of phosphorylated ethylphenols with cytochrome P450 CreJ | Descriptor: | (3-ethylphenyl) dihydrogen phosphate, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Dong, S, Du, L, Li, S.Y, Feng, Y.G. | Deposit date: | 2020-06-17 | Release date: | 2021-03-17 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural Basis for Selective Oxidation of Phosphorylated Ethylphenols by Cytochrome P450 Monooxygenase CreJ. Appl.Environ.Microbiol., 87, 2021
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6UNI
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![BU of 6uni by Molmil](/molmil-images/mine/6uni) | Human CYP3A4 bound to an inhibitor | Descriptor: | Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl [(2S)-1-(1H-indol-3-yl)-3-{[(2R)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate | Authors: | Sevrioukova, I.F. | Deposit date: | 2019-10-11 | Release date: | 2020-02-05 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.602 Å) | Cite: | An increase in side-group hydrophobicity largely improves the potency of ritonavir-like inhibitors of CYP3A4. Bioorg.Med.Chem., 28, 2020
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6UNE
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![BU of 6une by Molmil](/molmil-images/mine/6une) | Human CYP3A4 bound to an inhibitor | Descriptor: | Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl [(2R)-1-(1H-indol-3-yl)-3-{[(2S)-3-oxo-2-(phenylamino)-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}propan-2-yl]carbamate | Authors: | Sevrioukova, I.F. | Deposit date: | 2019-10-11 | Release date: | 2020-02-05 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | An increase in side-group hydrophobicity largely improves the potency of ritonavir-like inhibitors of CYP3A4. Bioorg.Med.Chem., 28, 2020
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3WVS
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![BU of 3wvs by Molmil](/molmil-images/mine/3wvs) | Crystal Structure of Cytochrome P450revI | Descriptor: | (2E,4S,5S,6E,8E)-10-{(2R,3S,6S,8R,9S)-9-butyl-8-[(1E,3E)-4-carboxy-3-methylbuta-1,3-dien-1-yl]-3-methyl-1,7-dioxaspiro[5.5]undec-2-yl}-5-hydroxy-4,8-dimethyldeca-2,6,8-trienoic acid, GLYCEROL, L(+)-TARTARIC ACID, ... | Authors: | Nagano, S, Takahashi, S, Osada, H, Shiro, Y. | Deposit date: | 2014-06-06 | Release date: | 2014-10-01 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structure-function analyses of cytochrome P450revI involved in reveromycin A biosynthesis and evaluation of the biological activity of its substrate, reveromycin T. J.Biol.Chem., 289, 2014
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7CZI
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![BU of 7czi by Molmil](/molmil-images/mine/7czi) | |
7D1F
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![BU of 7d1f by Molmil](/molmil-images/mine/7d1f) | |
7D0T
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![BU of 7d0t by Molmil](/molmil-images/mine/7d0t) | |