3T3Z
 
 | | Human Cytochrome P450 2E1 in complex with pilocarpine | | Descriptor: | (3S,4R)-3-ethyl-4-[(1-methyl-1H-imidazol-5-yl)methyl]dihydrofuran-2(3H)-one, Cytochrome P450 2E1, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Meneely, K.M, DeVore, N.M, Scott, E.E. | | Deposit date: | 2011-07-25 | | Release date: | 2011-12-07 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structural comparison of cytochromes P450 2A6, 2A13, and 2E1 with pilocarpine.
Febs J., 279, 2012
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3QU8
 | | Crystal structure of a human cytochrome P450 2B6 (Y226H/K262R) in complex with the inhibitor 4-(4-Nitrobenzyl)pyridine. | | Descriptor: | 4-(4-nitrobenzyl)pyridine, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B6, ... | | Authors: | Shah, M.B, Pascual, J, Stout, C.D, Halpert, J.R. | | Deposit date: | 2011-02-23 | | Release date: | 2011-09-21 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structures of Cytochrome P450 2B6 Bound to 4-Benzylpyridine and 4-(4-Nitrobenzyl)pyridine: Insight into Inhibitor Binding and Rearrangement of Active Site Side Chains.
Mol.Pharmacol., 80, 2011
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3E5L
 | | Crystal structure of CYP105P1 H72A mutant | | Descriptor: | Cytochrome P450 (Cytochrome P450 hydroxylase), PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Xu, L.H, Fushinobu, S, Ikeda, H, Wakagi, T, Shoun, H. | | Deposit date: | 2008-08-14 | | Release date: | 2008-12-30 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structures of cytochrome P450 105P1 from Streptomyces avermitilis: conformational flexibility and histidine ligation state
J.Bacteriol., 191, 2009
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3EQM
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3G5H
 | | Crystallographic analysis of cytochrome P450 cyp121 | | Descriptor: | (3S,6S)-3,6-bis(4-hydroxybenzyl)piperazine-2,5-dione, Cytochrome P450 121, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Belin, P, Le Du, M.H, Gondry, M. | | Deposit date: | 2009-02-05 | | Release date: | 2009-04-21 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Identification and structural basis of the reaction catalyzed by CYP121, an essential cytochrome P450 in Mycobacterium tuberculosis.
Proc.Natl.Acad.Sci.USA, 106, 2009
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1Q5E
 | | Substrate-free Cytochrome P450epoK | | Descriptor: | P450 epoxidase, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Nagano, S, Li, H, Shimizu, H, Nishida, C, Ogura, H, Ortiz de Montellano, P.R, Poulos, T.L. | | Deposit date: | 2003-08-06 | | Release date: | 2003-10-28 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Crystal structures of epothilone D-bound, epothilone B-bound, and substrate-free forms of cytochrome P450epoK
J.Biol.Chem., 278, 2003
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3G93
 | | Single ligand occupancy crystal structure of cytochrome P450 2B4 in complex with the inhibitor 1-biphenyl-4-methyl-1H-imidazole | | Descriptor: | 1-(biphenyl-4-ylmethyl)-1H-imidazole, Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Gay, S.C, Sun, L, Maekawa, K, Halpert, J.R, Stout, C.D. | | Deposit date: | 2009-02-12 | | Release date: | 2009-05-12 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Crystal structures of cytochrome P450 2B4 in complex with the inhibitor 1-biphenyl-4-methyl-1H-imidazole: ligand-induced structural response through alpha-helical repositioning.
Biochemistry, 48, 2009
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3QM4
 | | Human Cytochrome P450 (CYP) 2D6 - Prinomastat Complex | | Descriptor: | Cytochrome P450 2D6, NICKEL (II) ION, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Wang, A, Stout, C.D, Johnson, E.F. | | Deposit date: | 2011-02-03 | | Release date: | 2012-02-15 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Crystal Structure of Human Cytochrome P450 2D6 with Prinomastat Bound.
J.Biol.Chem., 287, 2012
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3TMZ
 | | Crystal Structure of P450 2B4(H226Y) in complex with Amlodipine | | Descriptor: | 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Amlodipine, Cytochrome P450 2B4, ... | | Authors: | Shah, M.B, Pascual, J, Stout, C.D, Halpert, J.R. | | Deposit date: | 2011-09-01 | | Release date: | 2012-09-12 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.248 Å) | | Cite: | Conformational Adaptation of Human Cytochrome P450 2B6 and Rabbit Cytochrome P450 2B4 Revealed upon Binding Multiple Amlodipine Molecules.
Biochemistry, 51, 2012
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3TK3
 | | Cytochrome P450 2B4 mutant L437A in complex with 4-(4-chlorophenyl)imidazole | | Descriptor: | 4-(4-CHLOROPHENYL)IMIDAZOLE, Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Gay, S.C, Jang, H.H, Wilderman, P.R, Zhang, Q, Stout, C.D, Halpert, J.R. | | Deposit date: | 2011-08-25 | | Release date: | 2011-11-16 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.8001 Å) | | Cite: | Investigation by site-directed mutagenesis of the role of cytochrome P450 2B4 non-active-site residues in protein-ligand interactions based on crystal structures of the ligand-bound enzyme.
Febs J., 279, 2012
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3TJS
 | | Crystal Structure of the complex between human cytochrome P450 3A4 and desthiazolylmethyloxycarbonyl ritonavir | | Descriptor: | Cytochrome P450 3A4, N-[(2S,4S,5S)-5-amino-4-hydroxy-1,6-diphenylhexan-2-yl]-N~2~-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-L-valinamide, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Sevrioukova, I.F, Poulos, T.L. | | Deposit date: | 2011-08-24 | | Release date: | 2012-03-07 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Interaction of human cytochrome P4503A4 with ritonavir analogs.
Arch.Biochem.Biophys., 520, 2012
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3SN5
 | | Crystal structure of human CYP7A1 in complex with cholest-4-en-3-one | | Descriptor: | (8ALPHA,9BETA)-CHOLEST-4-EN-3-ONE, Cholesterol 7-alpha-monooxygenase, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Strushkevich, N, Tempel, W, MacKenzie, F, Wernimont, A.K, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Park, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2011-06-28 | | Release date: | 2011-07-13 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Crystal structure of human CYP7A1 in complex with cholest-4-en-3-one
To be Published
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1OXA
 | | CYTOCHROME P450 (DONOR:O2 OXIDOREDUCTASE) | | Descriptor: | 6-DEOXYERYTHRONOLIDE B, CYTOCHROME P450 ERYF, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Cupp-Vickery, J.R, Poulos, T.L. | | Deposit date: | 1995-07-14 | | Release date: | 1995-12-07 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure of cytochrome P450eryF involved in erythromycin biosynthesis.
Nat.Struct.Biol., 2, 1995
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3HF2
 | | Crystal structure of the I401P mutant of cytochrome P450 BM3 | | Descriptor: | Bifunctional P-450/NADPH-P450 reductase, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Yang, W, Whitehouse, C.J.C, Bell, S.G, Bartlam, M, Wong, L.L, Rao, Z. | | Deposit date: | 2009-05-10 | | Release date: | 2009-06-30 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | A Highly Active Single-Mutation Variant of P450(BM3) (CYP102A1)
Chembiochem, 10, 2009
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3TYW
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3TKT
 | | Crystal structure of CYP108D1 from Novosphingobium aromaticivorans DSM12444 | | Descriptor: | Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Yang, W, Bell, S.G, Wang, H, Zhou, W, Bartlam, M, Wong, L.-L, Rao, Z. | | Deposit date: | 2011-08-29 | | Release date: | 2012-02-29 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure and function of CYP108D1 from Novosphingobium aromaticivorans DSM12444: an aromatic hydrocarbon-binding P450 enzyme
Acta Crystallogr.,Sect.D, 68, 2012
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3UA5
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1PHD
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1PHC
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3EBS
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1Q5D
 | | Epothilone B-bound Cytochrome P450epoK | | Descriptor: | 7,11-DIHYDROXY-8,8,10,12,16-PENTAMETHYL-3-[1-METHYL-2-(2-METHYL-THIAZOL-4-YL)VINYL]-4,17-DIOXABICYCLO[14.1.0]HEPTADECANE-5,9-DIONE, P450 epoxidase, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Nagano, S, Li, H, Shimizu, H, Nishida, C, Ogura, H, Ortiz de Montellano, P.R, Poulos, T.L. | | Deposit date: | 2003-08-06 | | Release date: | 2003-10-28 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Crystal structures of epothilone D-bound, epothilone B-bound, and substrate-free forms of cytochrome P450epoK
J.Biol.Chem., 278, 2003
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1PO5
 | | Structure of mammalian cytochrome P450 2B4 | | Descriptor: | Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Scott, E.E, He, Y.A, Wester, M.R, White, M.A, Chin, C.C, Halpert, J.R, Johnson, E.F, Stout, C.D. | | Deposit date: | 2003-06-13 | | Release date: | 2003-10-07 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | An open conformation of mammalian cytochrome P450 2B4 at 1.6 A resolution
Proc.Natl.Acad.Sci.USA, 100, 2003
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3EKB
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1PQ2
 | | Crystal Structure of Human Drug Metabolizing Cytochrome P450 2C8 | | Descriptor: | Cytochrome P450 2C8, PALMITIC ACID, PHOSPHATE ION, ... | | Authors: | Schoch, G.A, Yano, J.K, Wester, M.R, Griffin, K.J, Stout, C.D, Johnson, E.F. | | Deposit date: | 2003-06-17 | | Release date: | 2004-01-13 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structure of human microsomal cytochrome P450 2C8. Evidence for a peripheral fatty acid binding site
J.Biol.Chem., 279, 2004
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3E5K
 | | Crystal structure of CYP105P1 wild-type 4-phenylimidazole complex | | Descriptor: | 4-PHENYL-1H-IMIDAZOLE, Cytochrome P450 (Cytochrome P450 hydroxylase), PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Xu, L.H, Fushinobu, S, Ikeda, H, Wakagi, T, Shoun, H. | | Deposit date: | 2008-08-14 | | Release date: | 2008-12-30 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal structures of cytochrome P450 105P1 from Streptomyces avermitilis: conformational flexibility and histidine ligation state
J.Bacteriol., 191, 2009
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