3L62
| Crystal structure of substrate-free P450cam at low [K+] | Descriptor: | Camphor 5-monooxygenase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Lee, Y.-T, Wilson, R.F, Rupniewski, I, Goodin, D.B. | Deposit date: | 2009-12-22 | Release date: | 2010-04-21 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | P450cam visits an open conformation in the absence of substrate. Biochemistry, 49, 2010
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3LXH
| Crystal Structure of Cytochrome P450 CYP101D1 | Descriptor: | 1,4-DIETHYLENE DIOXIDE, Cytochrome P450, PHOSPHATE ION, ... | Authors: | Yang, W, Bell, S.G, Wang, H, Bartlam, M, Wong, L.L, Rao, Z. | Deposit date: | 2010-02-25 | Release date: | 2010-06-23 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Molecular characterization of a class I P450 electron transfer system from Novosphingobium aromaticivorans DSM12444 J.Biol.Chem., 285, 2010
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7KVS
| Human CYP3A4 bound to an inhibitor | Descriptor: | 1,2-ETHANEDIOL, Cytochrome P450 3A4, GLYCEROL, ... | Authors: | Sevrioukova, I. | Deposit date: | 2020-11-28 | Release date: | 2021-01-20 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Rational Design of CYP3A4 Inhibitors: A One-Atom Linker Elongation in Ritonavir-Like Compounds Leads to a Marked Improvement in the Binding Strength. Int J Mol Sci, 22, 2021
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7KVI
| Human CYP3A4 bound to an inhibitor | Descriptor: | Cytochrome P450 3A4, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Sevrioukova, I. | Deposit date: | 2020-11-28 | Release date: | 2021-01-20 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Rational Design of CYP3A4 Inhibitors: A One-Atom Linker Elongation in Ritonavir-Like Compounds Leads to a Marked Improvement in the Binding Strength. Int J Mol Sci, 22, 2021
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7KVJ
| Human CYP3A4 bound to an inhibitor | Descriptor: | Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl [(2S)-1-{[(2S)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate | Authors: | Sevrioukova, I. | Deposit date: | 2020-11-28 | Release date: | 2021-01-20 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Rational Design of CYP3A4 Inhibitors: A One-Atom Linker Elongation in Ritonavir-Like Compounds Leads to a Marked Improvement in the Binding Strength. Int J Mol Sci, 22, 2021
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7KVQ
| Human CYP3A4 bound to an inhibitor | Descriptor: | 1,2-ETHANEDIOL, Cytochrome P450 3A4, GLYCEROL, ... | Authors: | Sevrioukova, I. | Deposit date: | 2020-11-28 | Release date: | 2021-01-20 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Rational Design of CYP3A4 Inhibitors: A One-Atom Linker Elongation in Ritonavir-Like Compounds Leads to a Marked Improvement in the Binding Strength. Int J Mol Sci, 22, 2021
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7KVO
| Human CYP3A4 bound to an inhibitor | Descriptor: | Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, ... | Authors: | Sevrioukova, I. | Deposit date: | 2020-11-28 | Release date: | 2021-01-20 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Rational Design of CYP3A4 Inhibitors: A One-Atom Linker Elongation in Ritonavir-Like Compounds Leads to a Marked Improvement in the Binding Strength. Int J Mol Sci, 22, 2021
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7PQ1
| Ligand-free crystal structure of a staphylococcal orthologue of CYP134A1 | Descriptor: | Cytochrome P450 protein, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Snee, M, Levy, C, Leys, D, Katariya, M, Munro, A.W. | Deposit date: | 2021-09-15 | Release date: | 2022-09-21 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.46 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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6TO2
| Crystal structure of CYP154C5 from Nocardia farcinica in complex with 5alpha-Androstan-3-one | Descriptor: | (5~{S},8~{S},9~{S},10~{S},13~{S},14~{S})-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one, CHLORIDE ION, Cytochrome P450 monooxygenase, ... | Authors: | Rodriguez, A, Kluenemann, T, Blankenfeldt, W, Schallmey, A. | Deposit date: | 2019-12-11 | Release date: | 2020-11-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | CYP154C5 Regioselectivity in Steroid Hydroxylation Explored by Substrate Modifications and Protein Engineering*. Chembiochem, 22, 2021
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1E9X
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1EHF
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3VOO
| Cytochrome P450SP alpha (CYP152B1) mutant A245E | Descriptor: | Fatty acid alpha-hydroxylase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Fujishiro, T, Shoji, O, Sugimoto, H, Shiro, Y, Watanabe, Y. | Deposit date: | 2012-01-31 | Release date: | 2013-02-06 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | A substrate-binding-state mimic of H2O2-dependent cytochrome P450 produced by one-point mutagenesis and peroxygenation of non-native substrates Catalysis Science And Technology, 6, 2016
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1EUP
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8C9I
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1EHE
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3VNO
| Cytochrome P450SP alpha (CYP152B1) mutant R241E | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Fatty acid alpha-hydroxylase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Fujishiro, T, Shoji, O, Sugimoto, H, Shiro, Y, Watanabe, Y. | Deposit date: | 2012-01-17 | Release date: | 2013-02-06 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | A substrate-binding-state mimic of H2O2-dependent cytochrome P450 produced by one-point mutagenesis and peroxygenation of non-native substrates Catalysis Science And Technology, 6, 2016
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8CKN
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3VRM
| Structure of cytochrome P450 Vdh mutant T107A with bound vitamin D3 | Descriptor: | (1S,3Z)-3-[(2E)-2-[(1R,3AR,7AS)-7A-METHYL-1-[(2R)-6-METHYLHEPTAN-2-YL]-2,3,3A,5,6,7-HEXAHYDRO-1H-INDEN-4-YLIDENE]ETHYLI DENE]-4-METHYLIDENE-CYCLOHEXAN-1-OL, PROTOPORPHYRIN IX CONTAINING FE, Vitamin D(3) 25-hydroxylase | Authors: | Nishioka, T, Yasutake, Y, Tamura, T. | Deposit date: | 2012-04-12 | Release date: | 2013-04-17 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | A single mutation at the ferredoxin binding site of p450 vdh enables efficient biocatalytic production of 25-hydroxyvitamin d3. Chembiochem, 14, 2013
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7Q6X
| OleP mutant S240Y in complex with 6DEB | Descriptor: | 6-DEOXYERYTHRONOLIDE B, Cytochrome P-450, FORMIC ACID, ... | Authors: | Savino, C, Montemiglio, L.C, Vallone, B, Exertier, C, Freda, I, Gugole, E. | Deposit date: | 2021-11-09 | Release date: | 2022-01-26 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Point Mutations at a Key Site Alter the Cytochrome P450 OleP Structural Dynamics. Biomolecules, 12, 2021
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7Q89
| OleP mutant G92W in complex with 6DEB | Descriptor: | 6-DEOXYERYTHRONOLIDE B, Cytochrome P-450, FORMIC ACID, ... | Authors: | Savino, C, Montemiglio, L.C, Vallone, B, Exertier, C, Freda, I, Gugole, E. | Deposit date: | 2021-11-10 | Release date: | 2022-01-26 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Point Mutations at a Key Site Alter the Cytochrome P450 OleP Structural Dynamics. Biomolecules, 12, 2021
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7Q6R
| OleP mutant E89Y in complex with 6DEB | Descriptor: | 6-DEOXYERYTHRONOLIDE B, Cytochrome P-450, FORMIC ACID, ... | Authors: | Savino, C, Montemiglio, L.C, Vallone, B, Exertier, C, Freda, I, Gugole, E. | Deposit date: | 2021-11-09 | Release date: | 2022-01-26 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Point Mutations at a Key Site Alter the Cytochrome P450 OleP Structural Dynamics. Biomolecules, 12, 2021
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1F4U
| THERMOPHILIC P450: CYP119 FROM SULFOLOBUS SOLFACTARICUS | Descriptor: | CYTOCHROME P450 119, IMIDAZOLE, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Yano, J.K, Koo, L.S, Schuller, D.J, Li, H, Ortiz de Montellano, P.R, Poulos, T.L. | Deposit date: | 2000-06-09 | Release date: | 2000-10-23 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.69 Å) | Cite: | Crystal structure of a thermophilic cytochrome P450 from the archaeon Sulfolobus solfataricus. J.Biol.Chem., 275, 2000
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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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1F26
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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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