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4PXH
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BU of 4pxh by Molmil
Structure of P450sky (CYP163B3), a cytochrome P450 from skyllamycin biosynthesis in complex with a peptidyl carrier protein domain
Descriptor: P450 monooxygenase, PROTOPORPHYRIN IX CONTAINING FE, Peptide synthetase, ...
Authors:Haslinger, K, Cryle, M.J.
Deposit date:2014-03-24
Release date:2014-07-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The structure of a transient complex of a nonribosomal Peptide synthetase and a cytochrome p450 monooxygenase.
Angew.Chem.Int.Ed.Engl., 53, 2014
1JA0
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BU of 1ja0 by Molmil
CYPOR-W677X
Descriptor: FLAVIN MONONUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Hubbard, P.A, Shen, A.L, Paschke, R, Kasper, C.B, Kim, J.J.
Deposit date:2001-05-29
Release date:2001-08-22
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:NADPH-cytochrome P450 oxidoreductase. Structural basis for hydride and electron transfer.
J.Biol.Chem., 276, 2001
1J9Z
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BU of 1j9z by Molmil
CYPOR-W677G
Descriptor: FLAVIN MONONUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Hubbard, P.A, Shen, A.L, Paschke, R, Kasper, C.B, Kim, J.J.
Deposit date:2001-05-29
Release date:2001-08-22
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:NADPH-cytochrome P450 oxidoreductase. Structural basis for hydride and electron transfer.
J.Biol.Chem., 276, 2001
1JA1
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BU of 1ja1 by Molmil
CYPOR-Triple Mutant
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, FLAVIN MONONUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Hubbard, P.A, Shen, A.L, Paschke, R, Kasper, C.B, Kim, J.J.
Deposit date:2001-05-29
Release date:2001-08-22
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:NADPH-cytochrome P450 oxidoreductase. Structural basis for hydride and electron transfer.
J.Biol.Chem., 276, 2001
7U00
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BU of 7u00 by Molmil
The crystal structure of WT CYP199A4 bound to 4-(2-chloroethyl)benzoic acid
Descriptor: 4-(2-chloroethyl)benzoic acid, CHLORIDE ION, Cytochrome P450, ...
Authors:Podgorski, M.N, Bell, S.G.
Deposit date:2022-02-17
Release date:2023-03-15
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.657 Å)
Cite:Cytochrome P450-catalyzed oxidation of halogen-containing substrates.
J.Inorg.Biochem., 244, 2023
7TZM
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BU of 7tzm by Molmil
The crystal structure of WT CYP199A4 bound to 4-iodobenzoic acid
Descriptor: 4-iodobenzoic acid, CHLORIDE ION, Cytochrome P450, ...
Authors:Podgorski, M.N, Bell, S.G.
Deposit date:2022-02-16
Release date:2023-03-15
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.524 Å)
Cite:Cytochrome P450-catalyzed oxidation of halogen-containing substrates.
J.Inorg.Biochem., 244, 2023
7TZY
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BU of 7tzy by Molmil
The crystal structure of WT CYP199A4 bound to 4-(2-bromoethyl)benzoic acid
Descriptor: 4-(2-bromoethyl)benzoic acid, CHLORIDE ION, Cytochrome P450, ...
Authors:Podgorski, M.N, Bell, S.G.
Deposit date:2022-02-16
Release date:2023-03-15
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.992 Å)
Cite:Cytochrome P450-catalyzed oxidation of halogen-containing substrates.
J.Inorg.Biochem., 244, 2023
7TZN
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BU of 7tzn by Molmil
The crystal structure of WT CYP199A4 bound to 4-fluorobenzoic acid
Descriptor: 4-fluorobenzoic acid, CHLORIDE ION, Cytochrome P450, ...
Authors:Podgorski, M.N, Bell, S.G.
Deposit date:2022-02-16
Release date:2023-03-15
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.839 Å)
Cite:Cytochrome P450-catalyzed oxidation of halogen-containing substrates.
J.Inorg.Biochem., 244, 2023
7TZW
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BU of 7tzw by Molmil
The crystal structure of WT CYP199A4 bound to 4-chlorobenzoic acid
Descriptor: 4-CHLORO-BENZOIC ACID, CHLORIDE ION, Cytochrome P450, ...
Authors:Podgorski, M.N, Bell, S.G.
Deposit date:2022-02-16
Release date:2023-03-15
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.462 Å)
Cite:Cytochrome P450-catalyzed oxidation of halogen-containing substrates.
J.Inorg.Biochem., 244, 2023
7TZX
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BU of 7tzx by Molmil
The crystal structure of WT CYP199A4 bound to 4-chloromethylbenzoic acid
Descriptor: 4-(chloromethyl)benzoic acid, CHLORIDE ION, Cytochrome P450, ...
Authors:Podgorski, M.N, Scaffidi-Muta, J, Bell, S.G.
Deposit date:2022-02-16
Release date:2023-03-15
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.414 Å)
Cite:Cytochrome P450-catalyzed oxidation of halogen-containing substrates.
J.Inorg.Biochem., 244, 2023
5VWS
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BU of 5vws by Molmil
Ligand free structure of Cytochrome P450 TbtJ1
Descriptor: Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE
Authors:Gober, J.G, Ghodge, S.V, Brustad, E.M, Bowers, A.A.
Deposit date:2017-05-22
Release date:2017-06-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.411 Å)
Cite:P450-Mediated Non-natural Cyclopropanation of Dehydroalanine-Containing Thiopeptides.
ACS Chem. Biol., 12, 2017
1ULW
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BU of 1ulw by Molmil
Crystal structure of P450nor Ser73Gly/Ser75Gly mutant
Descriptor: Cytochrome P450 55A1, PROTOPORPHYRIN IX CONTAINING FE
Authors:Oshima, R, Fushinobu, S, Su, F, Li, Z, Takaya, N, Shoun, H.
Deposit date:2003-09-16
Release date:2004-10-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural evidence for direct hydride transfer from NADH to cytochrome P450nor
J.Mol.Biol., 342, 2004
6CP4
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BU of 6cp4 by Molmil
P450CAM D251N MUTANT
Descriptor: CAMPHOR, CYTOCHROME P450CAM, GLYCEROL, ...
Authors:Li, H, Poulos, T.L.
Deposit date:1998-05-28
Release date:1998-09-16
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Understanding the role of the essential Asp251 in cytochrome p450cam using site-directed mutagenesis, crystallography, and kinetic solvent isotope effect.
Biochemistry, 37, 1998
3TBG
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BU of 3tbg by Molmil
Human cytochrome P450 2D6 with two thioridazines bound in active site
Descriptor: 10-{2-[(2R)-1-methylpiperidin-2-yl]ethyl}-2-(methylsulfanyl)-10H-phenothiazine, Cytochrome P450 2D6, GLYCEROL, ...
Authors:Wang, A, Stout, C.D, Johnson, E.F.
Deposit date:2011-08-05
Release date:2012-08-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Contributions of Ionic Interactions and Protein Dynamics to Cytochrome P450 2D6 (CYP2D6) Substrate and Inhibitor Binding.
J.Biol.Chem., 290, 2015
1XQD
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BU of 1xqd by Molmil
Crystal structure of P450NOR complexed with 3-pyridinealdehyde adenine dinucleotide
Descriptor: CYTOCHROME P450 55A1, NICOTINIC ACID ADENINE DINUCLEOTIDE, PROTOPORPHYRIN IX CONTAINING FE
Authors:Oshima, R, Fushinobu, S, Takaya, N, Su, F, Wakagi, T, Shoun, H.
Deposit date:2004-10-12
Release date:2004-10-26
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural evidence for direct hydride transfer from NADH to cytochrome P450nor
J.Mol.Biol., 342, 2004
2V0M
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BU of 2v0m by Molmil
Crystal structure of human P450 3A4 in complex with ketoconazole
Descriptor: 1-ACETYL-4-(4-{[(2S,4R)-2-(2,4-DICHLOROPHENYL)-2-(1H-IMIDAZOL-1-YLMETHYL)-1,3-DIOXOLAN-4-YL]METHOXY}PHENYL)PIPERAZINE, CYTOCHROME P450 3A4, PROTOPORPHYRIN IX CONTAINING FE
Authors:Sjogren, T, Ekroos, M.
Deposit date:2007-05-15
Release date:2007-06-26
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural Basis for Ligand Promiscuity in Cytochrome P450 3A4
Proc.Natl.Acad.Sci.USA, 103, 2006
1JIO
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BU of 1jio by Molmil
P450eryF/6DEB
Descriptor: 6-DEOXYERYTHRONOLIDE B, CYTOCHROME P450 107A1, PROTOPORPHYRIN IX CONTAINING FE
Authors:Cupp-Vickery, J.R, Garcia, C, Hofacre, A, McGee-Estrada, K.
Deposit date:2001-07-02
Release date:2001-10-17
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Ketoconazole-induced conformational changes in the active site of cytochrome P450eryF.
J.Mol.Biol., 311, 2001
1JIN
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BU of 1jin by Molmil
P450eryF/ketoconazole
Descriptor: CIS-1-ACETYL-4-(4-((2-(2,4-DICHLOROPHENYL)-2-(1H-IMIDAZOL-1-YLMETHYL)-1,3-DIOXOLAN-4-YL)METHOXY)PHENYL)PIPERAZINE, CYTOCHROME P450 107A1, PROTOPORPHYRIN IX CONTAINING FE
Authors:Cupp-Vickery, J.R, Garcia, C, Hofacre, A, McGee-Estrada, K.
Deposit date:2001-07-02
Release date:2001-10-17
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Ketoconazole-induced conformational changes in the active site of cytochrome P450eryF.
J.Mol.Biol., 311, 2001
1JIP
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BU of 1jip by Molmil
P450eryF(A245S)/ketoconazole
Descriptor: CIS-1-ACETYL-4-(4-((2-(2,4-DICHLOROPHENYL)-2-(1H-IMIDAZOL-1-YLMETHYL)-1,3-DIOXOLAN-4-YL)METHOXY)PHENYL)PIPERAZINE, CYTOCHROME P450 107A1, PROTOPORPHYRIN IX CONTAINING FE
Authors:Cupp-Vickery, J.R, Garcia, C, Hofacre, A, McGee-Estrada, K.
Deposit date:2001-07-02
Release date:2001-10-17
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:Ketoconazole-induced conformational changes in the active site of cytochrome P450eryF.
J.Mol.Biol., 311, 2001
6G5O
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BU of 6g5o by Molmil
The structure of a carbohydrate active P450
Descriptor: Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE
Authors:Robb, C.S, Hehemann, J.H.
Deposit date:2018-03-29
Release date:2018-11-21
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Specificity and mechanism of carbohydrate demethylation by cytochrome P450 monooxygenases.
Biochem. J., 475, 2018
1Q5E
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BU of 1q5e by Molmil
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
5XA3
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BU of 5xa3 by Molmil
Crystal Structure of P450BM3 with Benzyloxycarbonyl-L-prolyl-L-phenylalanine
Descriptor: Bifunctional cytochrome P450/NADPH-P450 reductase, DIMETHYL SULFOXIDE, PHENYLALANINE, ...
Authors:Shoji, O, Yanagisawa, S, Stanfield, J.K, Suzuki, K, Kasai, C, Cong, Z, Sugimoto, H, Shiro, Y, Watanabe, Y.
Deposit date:2017-03-10
Release date:2018-02-21
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Direct Hydroxylation of Benzene to Phenol by Cytochrome P450BM3 Triggered by Amino Acid Derivatives.
Angew. Chem. Int. Ed. Engl., 56, 2017
8Q5J
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BU of 8q5j by Molmil
Cytochrome P450 monooxygenase from Streptomyces scabiei (SscaCYP)
Descriptor: Cytochrome P450 107B1, MAGNESIUM ION, PROTOPORPHYRIN IX CONTAINING FE
Authors:Opperman, D.J, Ebrecht, A.C.
Deposit date:2023-08-09
Release date:2024-04-03
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Natural alternative heme-environments allow efficient peroxygenase activity by cytochrome P450 monooxygenases
Catalysis Science And Technology, 13, 2023
3NC5
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BU of 3nc5 by Molmil
CYP134A1 structure with an open substrate binding loop
Descriptor: Cytochrome P450 cypX, GLYCEROL, MAGNESIUM ION, ...
Authors:Cryle, M.J, Schlichting, I.
Deposit date:2010-06-04
Release date:2010-08-11
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural and biochemical characterization of the cytochrome P450 CypX (CYP134A1) from Bacillus subtilis: a cyclo-L-leucyl-L-leucyl dipeptide oxidase.
Biochemistry, 49, 2010
3NC3
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BU of 3nc3 by Molmil
CYP134A1 structure with a closed substrate binding loop
Descriptor: Cytochrome P450 cypX, GLYCEROL, MAGNESIUM ION, ...
Authors:Cryle, M.J, Schlichting, I.
Deposit date:2010-06-04
Release date:2010-08-11
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.66 Å)
Cite:Structural and biochemical characterization of the cytochrome P450 CypX (CYP134A1) from Bacillus subtilis: a cyclo-L-leucyl-L-leucyl dipeptide oxidase.
Biochemistry, 49, 2010

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