4J6D
| |
4H23
| Cytochrome P411BM3-CIS cyclopropanation catalyst | Descriptor: | Cytochrome P450-BM3 variant P411BM3-Cis, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Coelho, P.S, Wang, Z.J, Ener, M.E, Baril, S.A, Kannan, A, Arnold, F.H, Brustad, E.M. | Deposit date: | 2012-09-11 | Release date: | 2013-06-26 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | A serine-substituted P450 catalyzes highly efficient carbene transfer to olefins in vivo. Nat.Chem.Biol., 9, 2013
|
|
7WDD
| Crystal structure of the P450 BM3 heme domain mutant F87K in complex with N-imidazolyl-hexanoyl-L-phenylalanine, styrene and hydroxylamine | Descriptor: | (2S)-2-(6-imidazol-1-ylhexanoylamino)-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, HYDROXYAMINE, ... | Authors: | Jiang, Y, Dong, S, Feng, Y, Cong, Z. | Deposit date: | 2021-12-21 | Release date: | 2022-12-28 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Crystal structure of the P450 BM3 heme domain mutant F87A in complex with N-imidazolyl-hexanoyl-L-phenylalanine and hydroxylamine To Be Published
|
|
7WG0
| |
4HGF
| Crystal structure of P450 BM3 5F5K heme domain variant complexed with styrene | Descriptor: | Bifunctional P-450/NADPH-P450 reductase, CHLORIDE ION, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Shehzad, A, Panneerselvam, S, Bocola, M, Mueller-Dieckmann, J, Wilmanns, M, Schwaneberg, U. | Deposit date: | 2012-10-08 | Release date: | 2013-05-01 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | P450 BM3 crystal structures reveal the role of the charged surface residue Lys/Arg184 in inversion of enantioselective styrene epoxidation. Chem.Commun.(Camb.), 49, 2013
|
|
4J6C
| |
3BDZ
| The Role of Asn 242 in P450cin | Descriptor: | MALONATE ION, P450cin, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Meharenna, Y.T, Poulos, T.L. | Deposit date: | 2007-11-15 | Release date: | 2008-02-12 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The critical role of substrate-protein hydrogen bonding in the control of regioselective hydroxylation in p450cin J.Biol.Chem., 283, 2008
|
|
4JLT
| Crystal structure of P450 2B4(H226Y) in complex with paroxetine | Descriptor: | 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B4, GLYCEROL, ... | Authors: | Shah, M.B, Pascual, J, Stout, C.D, Halpert, J.R. | Deposit date: | 2013-03-13 | Release date: | 2013-06-26 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | A Structural Snapshot of CYP2B4 in Complex with Paroxetine Provides Insights into Ligand Binding and Clusters of Conformational States. J.Pharmacol.Exp.Ther., 346, 2013
|
|
3B98
| Crystal structure of zebrafish prostacyclin synthase (cytochrome P450 8A1) | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, Prostaglandin I2 synthase | Authors: | Li, Y.-C, Chiang, C.-W, Yeh, H.-C, Hsu, P.-Y, Whitby, F.G, Wang, L.-H, Chan, N.-L. | Deposit date: | 2007-11-03 | Release date: | 2007-11-20 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Structures of Prostacyclin Synthase and Its Complexes with Substrate Analog and Inhibitor Reveal a Ligand-specific Heme Conformation Change J.Biol.Chem., 283, 2008
|
|
4HGH
| Crystal structure of P450 BM3 5F5 heme domain variant complexed with styrene (dataset I) | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Bifunctional P-450/NADPH-P450 reductase, DI(HYDROXYETHYL)ETHER, ... | Authors: | Shehzad, A, Panneerselvam, S, Bocola, M, Mueller-Dieckmann, J, Wilmanns, M, Schwaneberg, U. | Deposit date: | 2012-10-08 | Release date: | 2013-05-01 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | P450 BM3 crystal structures reveal the role of the charged surface residue Lys/Arg184 in inversion of enantioselective styrene epoxidation. Chem.Commun.(Camb.), 49, 2013
|
|
3C6G
| Crystal structure of CYP2R1 in complex with 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, Cycloheptakis-(1-4)-(alpha-D-glucopyranose), Cytochrome P450 2R1, ... | Authors: | Strushkevich, N.V, Min, J, Loppnau, P, Tempel, W, Arrowsmith, C.H, Edwards, A.M, Sundstrom, M, Weigelt, J, Bochkarev, A, Plotnikov, A.N, Park, H, Structural Genomics Consortium (SGC) | Deposit date: | 2008-02-04 | Release date: | 2008-02-19 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural analysis of CYP2R1 in complex with vitamin D3. J.Mol.Biol., 380, 2008
|
|
4I3Q
| |
4I91
| Crystal Structure of Cytochrome P450 2B6 (Y226H/K262R) in complex with alpha-Pinene. | Descriptor: | (+)-alpha-Pinene, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B6, ... | Authors: | Shah, M.B, Stout, C.D, Halpert, J.R. | Deposit date: | 2012-12-04 | Release date: | 2013-07-03 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural and Thermodynamic Basis of (+)-alpha-Pinene Binding to Human Cytochrome P450 2B6. J.Am.Chem.Soc., 135, 2013
|
|
4JBT
| |
3B4X
| |
3BEN
| |
4H1N
| Crystal Structure of P450 2B4 F297A Mutant in Complex with Anti-platelet Drug Clopidogrel | Descriptor: | 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Clopidogrel, Cytochrome P450 2B4, ... | Authors: | Shah, M.B, Jang, H.H, Stout, C.D, Halpert, J.R. | Deposit date: | 2012-09-10 | Release date: | 2013-01-16 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.99 Å) | Cite: | X-ray crystal structure of the cytochrome P450 2B4 active site mutant F297A in complex with clopidogrel: Insights into compensatory rearrangements of the binding pocket. Arch.Biochem.Biophys., 530, 2013
|
|
4H6O
| Sterol 14-alpha demethylase (CYP51)from Trypanosoma cruzi in complex with the inhibitor NEU321 (1-(3-(4-chloro-3,5-dimethylphenoxy)benzyl)-1H-imidazole | Descriptor: | 1-[3-(4-chloro-3,5-dimethylphenoxy)benzyl]-1H-imidazole, PROTOPORPHYRIN IX CONTAINING FE, Sterol 14-alpha demethylase | Authors: | Wawrzak, Z, Hargrove, T.Y, Pollastri, M.P, Lepesheva, G.I. | Deposit date: | 2012-09-19 | Release date: | 2013-03-20 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Antitrypanosomal Lead Discovery: Identification of a Ligand-Efficient Inhibitor of Trypanosoma cruzi CYP51 and Parasite Growth. J.Med.Chem., 56, 2013
|
|
2Z3U
| Crystal Structure of Chromopyrrolic Acid Bound Cytochrome P450 StaP (CYP245A1) | Descriptor: | 1,2-ETHANEDIOL, 3,4-DI-1H-INDOL-3-YL-1H-PYRROLE-2,5-DICARBOXYLIC ACID, Cytochrome P450, ... | Authors: | Makino, M, Sugimoto, H, Shiro, Y, Asamizu, S, Onaka, H, Nagano, S. | Deposit date: | 2007-06-06 | Release date: | 2007-07-03 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structures and catalytic mechanism of cytochrome P450 StaP that produces the indolocarbazole skeleton Proc.Natl.Acad.Sci.Usa, 104, 2007
|
|
2Z3T
| Crystal Structure of Substrate Free Cytochrome P450 StaP (CYP245A1) | Descriptor: | 1,2-ETHANEDIOL, Cytochrome P450, IMIDAZOLE, ... | Authors: | Makino, M, Sugimoto, H, Shiro, Y, Asamizu, S, Onaka, H, Nagano, S. | Deposit date: | 2007-06-06 | Release date: | 2007-07-03 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structures and catalytic mechanism of cytochrome P450 StaP that produces the indolocarbazole skeleton Proc.Natl.Acad.Sci.Usa, 104, 2007
|
|
7Y9O
| Crystal structure of a CYP109B4 variant from Bacillus sonorensis | Descriptor: | CALCIUM ION, Cytochrome P450 monooxygenase YjiB, IMIDAZOLE, ... | Authors: | Shen, P.P, Huang, J.-W, Li, X, Liu, W.D, Chen, C.-C, Guo, R.-T. | Deposit date: | 2022-06-25 | Release date: | 2023-05-03 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Rationally Controlling Selective Steroid Hydroxylation via Scaffold Sampling of a P450 Family Acs Catalysis, 13, 2023
|
|
7Y97
| Crystal structure of CYP109B4 from Bacillus Sonorensis | Descriptor: | Cytochrome P450 monooxygenase YjiB, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Shen, P.P, Huang, J.-W, Li, X, Liu, W.D, Chen, C.-C, Guo, R.-T. | Deposit date: | 2022-06-24 | Release date: | 2023-05-03 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | Rationally Controlling Selective Steroid Hydroxylation via Scaffold Sampling of a P450 Family Acs Catalysis, 13, 2023
|
|
4K9V
| Complex of CYP3A4 with a desoxyritonavir analog | Descriptor: | 1,3-thiazol-5-ylmethyl [(3S,6S)-6-{[N-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-L-seryl]amino}octan-3-yl]carbamate, Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Sevrioukova, I.F, Poulos, T.L. | Deposit date: | 2013-04-21 | Release date: | 2013-06-19 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Dissecting Cytochrome P450 3A4-Ligand Interactions Using Ritonavir Analogues. Biochemistry, 52, 2013
|
|
7Y98
| Crystal structure of CYP109B4 from Bacillus Sonorensis in complex with Testosterone | Descriptor: | Cytochrome P450 monooxygenase YjiB, PROTOPORPHYRIN IX CONTAINING FE, TESTOSTERONE | Authors: | Shen, P.P, Huang, J.-W, Li, X, Liu, W.D, Chen, C.-C, Guo, R.-T. | Deposit date: | 2022-06-24 | Release date: | 2023-05-03 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Rationally Controlling Selective Steroid Hydroxylation via Scaffold Sampling of a P450 Family Acs Catalysis, 13, 2023
|
|
4KEW
| structure of the A82F BM3 heme domain in complex with omeprazole | Descriptor: | 6-methoxy-2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfanyl}-1H-benzimidazole, Bifunctional P-450/NADPH-P450 reductase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Leys, D. | Deposit date: | 2013-04-26 | Release date: | 2013-07-10 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Key Mutations Alter the Cytochrome P450 BM3 Conformational Landscape and Remove Inherent Substrate Bias. J.Biol.Chem., 288, 2013
|
|