7YJH
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![BU of 7yjh by Molmil](/molmil-images/mine/7yjh) | Crystal structure of the P450 BM3 heme domain mutant F87V/T268I in complex with N-imidazolyl-pentanoyl-L-phenylalanine and hydroxylamine | Descriptor: | (2~{S})-2-(5-imidazol-1-ylpentanoylamino)-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, HYDROXYAMINE, ... | Authors: | Dong, S, Chen, J, Jiang, Y, Cong, Z, Feng, Y. | Deposit date: | 2022-07-20 | Release date: | 2023-05-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.792 Å) | Cite: | Regiodivergent and Enantioselective Hydroxylation of C-H bonds by Synergistic Use of Protein Engineering and Exogenous Dual-Functional Small Molecules. Angew.Chem.Int.Ed.Engl., 62, 2023
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7XZK
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7Y0S
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![BU of 7y0s by Molmil](/molmil-images/mine/7y0s) | Crystal structure of the P450 BM3 heme domain mutant F87A in complex with N-imidazolyl-hexanoyl-L-tyrosyl-L-tyrosine and hydroxylamine | Descriptor: | Bifunctional cytochrome P450/NADPH--P450 reductase, HYDROXYAMINE, I7X-TYR-TYR, ... | Authors: | Jiang, Y, Dong, S, Feng, Y, Cong, Z. | Deposit date: | 2022-06-06 | Release date: | 2023-06-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Crystal structure of the P450 BM3 heme domain mutant F87A in complex with N-imidazolyl-hexanoyl-L-tyrosyl-L-tyrosine and hydroxylamine To Be Published
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7Y0R
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![BU of 7y0r by Molmil](/molmil-images/mine/7y0r) | Crystal structure of the P450 BM3 heme domain mutant F87L/V78S/A184V in complex with N-imidazolyl-hexanoyl-L-phenylalanine, p-toluidine and hydroxylamine | Descriptor: | (2S)-2-(6-imidazol-1-ylhexanoylamino)-3-phenyl-propanoic acid, 4-METHYLANILINE, Bifunctional cytochrome P450/NADPH--P450 reductase, ... | Authors: | Jiang, Y, Dong, S, Feng, Y, Cong, Z. | Deposit date: | 2022-06-06 | Release date: | 2023-06-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Crystal structure of the P450 BM3 heme domain mutant F87L/V78S/A184V in complex with N-imidazolyl-hexanoyl-L-phenylalanine, p-toluidine and hydroxylamine To Be Published
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7Y0U
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![BU of 7y0u by Molmil](/molmil-images/mine/7y0u) | Crystal structure of the P450 BM3 heme domain mutant F87A in complex with N-imidazolyl-hexanoyl-L-phenylalanyl-L-phenylalanine and hydroxylamine | Descriptor: | Bifunctional cytochrome P450/NADPH--P450 reductase, HYDROXYAMINE, I7X-PHE-PHE, ... | Authors: | Jiang, Y, Dong, S, Feng, Y, Cong, Z. | Deposit date: | 2022-06-06 | Release date: | 2023-06-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of the P450 BM3 heme domain mutant F87A in complex with N-imidazolyl-hexanoyl-L-phenylalanyl-L-phenylalanine and hydroxylamine To Be Published
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7Y0Q
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4J6B
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![BU of 4j6b by Molmil](/molmil-images/mine/4j6b) | |
7Y0P
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![BU of 7y0p by Molmil](/molmil-images/mine/7y0p) | Crystal structure of the P450 BM3 heme domain mutant F87A/T268V/A82T/I263L in complex with N-imidazolyl-hexanoyl-L-phenylalanine, p-cresol 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: | 2022-06-06 | Release date: | 2023-06-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Crystal structure of the P450 BM3 heme domain mutant F87A/T268V/A82T/I263L in complex with N-imidazolyl-hexanoyl-L-phenylalanine, p-cresol and hydroxylamine To Be Published
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7Y0T
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![BU of 7y0t by Molmil](/molmil-images/mine/7y0t) | Crystal structure of the P450 BM3 heme domain mutant F87A in complex with N-imidazolyl-hexanoyl-L-phenylalanyl-L-phenylalanine | Descriptor: | Bifunctional cytochrome P450/NADPH--P450 reductase, I7X-PHE-PHE, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Jiang, Y, Dong, S, Feng, Y, Cong, Z. | Deposit date: | 2022-06-06 | Release date: | 2023-06-14 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Anchoring a Structurally Editable Proximal Cofactor-like Module to Construct an Artificial Dual-center Peroxygenase. Angew.Chem.Int.Ed.Engl., 62, 2023
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7YDL
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![BU of 7ydl by Molmil](/molmil-images/mine/7ydl) | Crystal structure of the P450 BM3 heme domain mutant F87A/T268I/A184V/A82T in complex with N-imidazolyl-hexanoyl-L-phenylalanine | Descriptor: | (2S)-2-(6-imidazol-1-ylhexanoylamino)-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Dong, S, Chen, J, Jiang, Y, Cong, Z, Feng, Y. | Deposit date: | 2022-07-04 | Release date: | 2023-07-12 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Crystal structure of the P450 BM3 heme domain mutant F87A/T268I/A184V/A82T in complex with N-imidazolyl-hexanoyl-L-phenylalanine To Be Published
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4KQ8
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![BU of 4kq8 by Molmil](/molmil-images/mine/4kq8) | Structure of Recombinant Human Cytochrome P450 Aromatase | Descriptor: | 4-ANDROSTENE-3-17-DIONE, Cytochrome P450 19A1, PHOSPHATE ION, ... | Authors: | Ghosh, D, Di Nardo, G, Griswold, J. | Deposit date: | 2013-05-14 | Release date: | 2013-08-21 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.29 Å) | Cite: | Structural basis for the functional roles of critical residues in human cytochrome p450 aromatase. Biochemistry, 52, 2013
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4K9U
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![BU of 4k9u by Molmil](/molmil-images/mine/4k9u) | Complex of human CYP3A4 with a desoxyritonavir analog | Descriptor: | Cytochrome P450 3A4, N~2~-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-N-[(2S,5S)-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}hexan-2-yl]-D-valinamide, 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 (2.85 Å) | Cite: | Dissecting Cytochrome P450 3A4-Ligand Interactions Using Ritonavir Analogues. Biochemistry, 52, 2013
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4KF0
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![BU of 4kf0 by Molmil](/molmil-images/mine/4kf0) | Structure of the A82F P450 BM3 heme domain | Descriptor: | 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 (1.45 Å) | Cite: | Key Mutations Alter the Cytochrome P450 BM3 Conformational Landscape and Remove Inherent Substrate Bias. J.Biol.Chem., 288, 2013
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4K9W
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![BU of 4k9w by Molmil](/molmil-images/mine/4k9w) | Complex of human CYP3A4 with a desoxyritonavir analog | Descriptor: | Cytochrome P450 3A4, N~2~-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-N-[(2R,5S)-1-phenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}octan-2-yl]-L-valinamide, 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 (2.399 Å) | Cite: | Dissecting Cytochrome P450 3A4-Ligand Interactions Using Ritonavir Analogues. Biochemistry, 52, 2013
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4KPB
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![BU of 4kpb by Molmil](/molmil-images/mine/4kpb) | Crystal structure of cytochrome P450 BM-3 R47E mutant | Descriptor: | Cytochrome P450 BM-3, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Sadre-Bazzaz, K, Catalano, J, McDermott, A.E, Tong, L. | Deposit date: | 2013-05-13 | Release date: | 2013-07-24 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural Evidence: A Single Charged Residue Affects Substrate Binding in Cytochrome P450 BM-3. Biochemistry, 52, 2013
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7Y9M
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![BU of 7y9m by Molmil](/molmil-images/mine/7y9m) | Crystal structure of P450 BM3-2F from Bacillus megaterium | Descriptor: | Bifunctional cytochrome P450/NADPH--P450 reductase, IMIDAZOLE, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Wang, Q, Zhang, L.L, Liu, W.D, Huang, J.-W, Yang, Y, Chen, C.-C, Guo, R.-T. | Deposit date: | 2022-06-25 | Release date: | 2023-07-12 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Crystal structure of P450 BM3-2F from Bacillus megaterium to be published
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7Y9L
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![BU of 7y9l by Molmil](/molmil-images/mine/7y9l) | Crystal structure of P450 BM3-2F from Bacillus megaterium in complex with 2-Hydroxy-5-Nitrobenzonitrile | Descriptor: | 5-nitro-2-oxidanyl-benzenecarbonitrile, Bifunctional cytochrome P450/NADPH--P450 reductase, NICKEL (II) ION, ... | Authors: | Wang, Q, Zhang, L.L, Liu, W.D, Huang, J.-W, Yang, Y, Chen, C.-C, Guo, R.-T. | Deposit date: | 2022-06-25 | Release date: | 2023-07-12 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Crystal structure of P450 BM3-2F from Bacillus megaterium in complex with 2-Hydroxy-5-Nitrobenzonitrile to be published
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4HGJ
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![BU of 4hgj by Molmil](/molmil-images/mine/4hgj) | Crystal structure of P450 BM3 5F5 heme domain variant | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Bifunctional P-450/NADPH-P450 reductase, GLYCEROL, ... | 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 (1.9 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
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7YJD
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![BU of 7yjd by Molmil](/molmil-images/mine/7yjd) | Crystal structure of the P450 BM3 heme domain mutant F87A in complex with N-imidazolyl-hexanoyl-L-phenylalanine 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: | 2022-07-19 | Release date: | 2023-07-26 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.9 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
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4GQS
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![BU of 4gqs by Molmil](/molmil-images/mine/4gqs) | Structure of Human Microsomal Cytochrome P450 (CYP) 2C19 | Descriptor: | (4-hydroxy-3,5-dimethylphenyl)(2-methyl-1-benzofuran-3-yl)methanone, Cytochrome P450 2C19, GLYCEROL, ... | Authors: | Reynald, R.L, Sansen, S, Stout, C.D, Johnson, E.F. | Deposit date: | 2012-08-23 | Release date: | 2012-11-14 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.87 Å) | Cite: | Structural Characterization of Human Cytochrome P450 2C19: ACTIVE SITE DIFFERENCES BETWEEN P450s 2C8, 2C9, AND 2C19. J.Biol.Chem., 287, 2012
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4KKY
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![BU of 4kky by Molmil](/molmil-images/mine/4kky) | |
2ZUH
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![BU of 2zuh by Molmil](/molmil-images/mine/2zuh) | Crystal Structure of Camphor-soaked Ferric Cytochrome P450cam Mutant (D297A) | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CAMPHOR, Camphor 5-monooxygenase, ... | Authors: | Sakurai, K, Harada, K, Shimada, H, Shimokata, K, Hayashi, T, Tsukihara, T. | Deposit date: | 2008-10-18 | Release date: | 2009-10-20 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Crystal Structure of Camphor-soaked Ferric Cytochrome P450cam Mutant to be published
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2ZBY
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![BU of 2zby by Molmil](/molmil-images/mine/2zby) | Crystal structure of vitamin D hydroxylase cytochrome P450 105A1 (R84A mutant) | Descriptor: | Cytochrome P450-SU1, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Sugimoto, H, Shinkyo, R, Hayashi, K, Yoneda, S, Yamada, M, Kamakura, M, Ikushiro, S, Shiro, Y, Sakaki, T. | Deposit date: | 2007-10-30 | Release date: | 2008-04-08 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal Structure of CYP105A1 (P450SU-1) in Complex with 1alpha,25-Dihydroxyvitamin D3 Biochemistry, 47, 2008
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2ZUI
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![BU of 2zui by Molmil](/molmil-images/mine/2zui) | Crystal Structure of Camphor-soaked Ferric Cytochrome P450cam Mutant (D297N) | Descriptor: | CAMPHOR, Camphor 5-monooxygenase, POTASSIUM ION, ... | Authors: | Sakurai, K, Harada, K, Shimada, H, Shimokata, K, Hayashi, T, Tsukihara, T. | Deposit date: | 2008-10-18 | Release date: | 2009-10-20 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal Structure of Camphor-soaked Ferric Cytochrome P450cam Mutant TO BE PUBLISHED
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4HGG
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![BU of 4hgg by Molmil](/molmil-images/mine/4hgg) | Crystal structure of P450 BM3 5F5R heme domain variant complexed with styrene | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Bifunctional P-450/NADPH-P450 reductase, GLYCEROL, ... | 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
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