2VZ7
| Crystal structure of the YC-17-bound PikC D50N mutant | Descriptor: | 4-{[4-(DIMETHYLAMINO)-3-HYDROXY-6-METHYLTETRAHYDRO-2H-PYRAN-2-YL]OXY}-12-ETHYL-3,5,7,11-TETRAMETHYLOXACYCLODODEC-9-ENE-2,8-DIONE, CYTOCHROME P450 MONOOXYGENASE, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Li, S, Sherman, D.H, Podust, L.M. | Deposit date: | 2008-07-30 | Release date: | 2008-08-12 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Analysis of Transient and Catalytic Desosamine Binding Pockets in Cytochrome P450 Pikc from Streptomyces Venezuelae. J.Biol.Chem., 284, 2009
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6ZI2
| OleP-oleandolide(DEO) in low salt crystallization conditions | Descriptor: | (3~{R},4~{S},5~{R},6~{S},7~{S},9~{S},11~{R},12~{S},13~{R},14~{R})-3,5,7,9,11,13,14-heptamethyl-4,6,12-tris(oxidanyl)-1-oxacyclotetradecane-2,10-dione, Cytochrome P-450, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Savino, C, Montemiglio, L.C, Vallone, B, Parisi, G, Cecchetti, C. | Deposit date: | 2020-06-24 | Release date: | 2020-10-21 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.93 Å) | Cite: | Dissecting the Cytochrome P450 OleP Substrate Specificity: Evidence for a Preferential Substrate. Biomolecules, 10, 2020
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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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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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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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5MNS
| Structural and functional characterization of OleP in complex with 6DEB in sodium formate | Descriptor: | 6-DEOXYERYTHRONOLIDE B, Cytochrome P-450, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Parisi, G, Savino, C, Montemiglio, L.C, Vallone, B. | Deposit date: | 2016-12-13 | Release date: | 2018-02-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.62 Å) | Cite: | Substrate-induced conformational change in cytochrome P450 OleP. FASEB J., 33, 2019
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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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5MNV
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7ANT
| Structure of CYP153A from Polaromonas sp. | Descriptor: | 1,2-ETHANEDIOL, Cytochrome P450, HEME C | Authors: | Zukic, E, Rowlinson, B, Sharma, M, Hoffman, S, Hauer, B, Grogan, G. | Deposit date: | 2020-10-12 | Release date: | 2021-04-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Substrate Anchoring and Flexibility Reduction in CYP153AM.aq Leads to Highly Improved Efficiency toward Octanoic Acid Acs Catalysis, 11, 2021
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7AO7
| Structure of CYP153A from Polaromonas sp. in complex with octan-1-ol | Descriptor: | Cytochrome P450, OCTAN-1-OL, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Zukic, E, Rowlinson, B, Sharma, M, Hoffmann, S, Hauer, B, Grogan, G. | Deposit date: | 2020-10-13 | Release date: | 2021-04-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Substrate Anchoring and Flexibility Reduction in CYP153AM.aq Leads to Highly Improved Efficiency toward Octanoic Acid Acs Catalysis, 11, 2021
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5NCB
| Crystal structure of Amycolatopsis cytochrome P450 GcoA in complex with guaiacol. | Descriptor: | Cytochrome P450, Guaiacol, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Mallinson, S.J.B, Johnson, C.W, Neidle, E.L, Beckham, G.T, McGeehan, J.E. | Deposit date: | 2017-03-03 | Release date: | 2018-07-04 | Last modified: | 2022-03-30 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | A promiscuous cytochrome P450 aromatic O-demethylase for lignin bioconversion. Nat Commun, 9, 2018
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7AYX
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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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1AKD
| CYTOCHROME P450CAM FROM PSEUDOMONAS PUTIDA, COMPLEXED WITH 1S-CAMPHOR | Descriptor: | CAMPHOR, CYTOCHROME P450CAM, POTASSIUM ION, ... | Authors: | Schlichting, I, Jung, C, Schulze, H. | Deposit date: | 1997-05-16 | Release date: | 1997-11-19 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of cytochrome P-450cam complexed with the (1S)-camphor enantiomer. FEBS Lett., 415, 1997
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2IJ4
| Structure of the A264K mutant of cytochrome P450 BM3 | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, cytochrome P450 BM3 | Authors: | Toogood, H.S, Leys, D. | Deposit date: | 2006-09-29 | Release date: | 2006-11-07 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural and spectroscopic characterization of P450 BM3 mutants with unprecedented P450 heme iron ligand sets. New heme ligation states influence conformational equilibria in P450 BM3. J.Biol.Chem., 282, 2007
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2IJ5
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2IJ3
| Structure of the A264H mutant of cytochrome P450 BM3 | Descriptor: | Cytochrome P450 BM3, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Toogood, H.S, Leys, D. | Deposit date: | 2006-09-29 | Release date: | 2006-11-07 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural and spectroscopic characterization of P450 BM3 mutants with unprecedented P450 heme iron ligand sets. New heme ligation states influence conformational equilibria in P450 BM3. J.Biol.Chem., 282, 2007
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2IJ7
| Structure of Mycobacterium tuberculosis CYP121 in complex with the antifungal drug fluconazole | Descriptor: | 2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL, Cytochrome P450 121, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Roujeinikova, A, Leys, D. | Deposit date: | 2006-09-29 | Release date: | 2006-11-07 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of the Mycobacterium tuberculosis P450 CYP121-fluconazole complex reveals new azole drug-P450 binding mode. J.Biol.Chem., 281, 2006
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2IJ2
| Atomic structure of the heme domain of flavocytochrome P450-BM3 | Descriptor: | Cytochrome P450 BM3, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Helen, H.S, Leys, D. | Deposit date: | 2006-09-29 | Release date: | 2006-11-07 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Structural and spectroscopic characterization of P450 BM3 mutants with unprecedented P450 heme iron ligand sets. New heme ligation states influence conformational equilibria in P450 BM3. J.Biol.Chem., 282, 2007
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5LI8
| Crystal structure of Mycobacterium tuberculosis CYP126A1 in complex with ketoconazole | Descriptor: | 1-acetyl-4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine, PROTOPORPHYRIN IX CONTAINING FE, Putative cytochrome P450 126 | Authors: | Levy, C, Munro, A.W, Leys, D. | Deposit date: | 2016-07-14 | Release date: | 2016-12-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Structural Characterization and Ligand/Inhibitor Identification Provide Functional Insights into the Mycobacterium tuberculosis Cytochrome P450 CYP126A1. J. Biol. Chem., 292, 2017
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5LIV
| Crystal structure of myxobacterial CYP260A1 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Cytochrome P450 CYP260A1,Cytochrome P450 CYP260A1, DIMETHYL SULFOXIDE, ... | Authors: | Carius, Y, Khatri, Y, Bernhardt, R, Lancaster, C.R.D. | Deposit date: | 2016-07-15 | Release date: | 2016-11-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.67 Å) | Cite: | Structural characterization of CYP260A1 from Sorangium cellulosum to investigate the 1 alpha-hydroxylation of a mineralocorticoid. FEBS Lett., 590, 2016
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5M0O
| Crystal structure of cytochrome P450 OleT H85Q in complex with arachidonic acid | Descriptor: | 5,8,11,14,17-EICOSAPENTAENOIC ACID, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, ... | Authors: | Tee, K.L, Munro, A, Matthews, S, Leys, D, Levy, C. | Deposit date: | 2016-10-05 | Release date: | 2017-01-11 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Catalytic Determinants of Alkene Production by the Cytochrome P450 Peroxygenase OleTJE. J. Biol. Chem., 292, 2017
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5M0P
| Crystal structure of cytochrome P450 OleT F79A in complex with arachidonic acid | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, SODIUM ION, Terminal olefin-forming fatty acid decarboxylase, ... | Authors: | Tee, K.L, Munro, A, Matthews, S, Leys, D, Levy, C. | Deposit date: | 2016-10-05 | Release date: | 2017-01-11 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Catalytic Determinants of Alkene Production by the Cytochrome P450 Peroxygenase OleTJE. J. Biol. Chem., 292, 2017
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5LI6
| Crystal structure of Mycobacterium tuberculosis CYP126A1 in complex with N-isopropyl-N-((3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl)methyl)-2-(4-nitrophenyl)acetamide | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, Putative cytochrome P450 126, ~{N}-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-nitrophenyl)-~{N}-propan-2-yl-ethanamide | Authors: | Levy, C, Munro, A.W, Leys, D. | Deposit date: | 2016-07-14 | Release date: | 2016-12-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural Characterization and Ligand/Inhibitor Identification Provide Functional Insights into the Mycobacterium tuberculosis Cytochrome P450 CYP126A1. J. Biol. Chem., 292, 2017
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5M0N
| Crystal structure of cytochrome P450 OleT in complex with formate | Descriptor: | FORMIC ACID, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, ... | Authors: | Tee, K.L, Munro, A, Matthews, S, Leys, D, Levy, C. | Deposit date: | 2016-10-05 | Release date: | 2017-01-11 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | Catalytic Determinants of Alkene Production by the Cytochrome P450 Peroxygenase OleTJE. J. Biol. Chem., 292, 2017
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