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3ZBY
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BU of 3zby by Molmil
Ligand-free structure of CYP142 from Mycobacterium smegmatis
Descriptor: 1,2-ETHANEDIOL, Cycloheptakis-(1-4)-(alpha-D-glucopyranose), P450 HEME-THIOLATE PROTEIN, ...
Authors:Garcia-Fernandez, E, Frank, D.J, Galan, B, Kells, P.M, Podust, L.M, Garcia, J.L, Ortiz de Montellano, P.R.
Deposit date:2012-11-13
Release date:2013-02-27
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:A Highly Conserved Mycobacterial Cholesterol Catabolic Pathway.
Environ.Microbiol., 15, 2013
7YJF
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BU of 7yjf by Molmil
Crystal structure of the P450 BM3 heme domain mutant F87A/T268P/V78I in complex with N-imidazolyl-pentanoyl-L-phenylalanine and hydroxylamine
Descriptor: (2~{S})-2-(5-imidazol-1-ylpentanoylamino)-3-phenyl-propanoic acid, HYDROXYAMINE, P450 BM3 heme domain mutant F87A/T268P/V78I, ...
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 (1.515 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
7YDD
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BU of 7ydd by Molmil
Crystal structure of the P450 BM3 heme domain mutant F87A/T268P/V78I in complex with N-imidazolyl-pentanoyl-L-phenylalanine,propylbenzene and hydroxylamine
Descriptor: (2~{S})-2-(5-imidazol-1-ylpentanoylamino)-3-phenyl-propanoic acid, HYDROXYAMINE, P450 BM3 heme domain mutant F87A/T268P/V78I, ...
Authors:Dong, S, Chen, J, Jiang, Y, Cong, Z, Feng, Y.
Deposit date:2022-07-04
Release date:2023-05-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.663 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
3BUJ
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BU of 3buj by Molmil
Crystal Structure of CalO2
Descriptor: CalO2, PROTOPORPHYRIN IX CONTAINING FE
Authors:McCoy, J.G, Johnson, H.D, Singh, S, Bingman, C.A, Thorson, J.S, Phillips Jr, G.N.
Deposit date:2008-01-02
Release date:2008-04-29
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:Structural characterization of CalO2: a putative orsellinic acid P450 oxidase in the calicheamicin biosynthetic pathway.
Proteins, 74, 2009
2YOO
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BU of 2yoo by Molmil
Cholest-4-en-3-one bound structure of CYP142 from Mycobacterium smegmatis
Descriptor: (8ALPHA,9BETA)-CHOLEST-4-EN-3-ONE, MAGNESIUM ION, P450 HEME-THIOLATE PROTEIN, ...
Authors:Garcia-Fernandez, E, Frank, D.J, Galan, B, Kells, P.M, Podust, L.M, Garcia, J.L, Ortiz de Montellano, P.R.
Deposit date:2012-10-25
Release date:2013-02-27
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:A Highly Conserved Mycobacterial Cholesterol Catabolic Pathway.
Environ.Microbiol., 15, 2013
3WRM
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BU of 3wrm by Molmil
Crystal structure of P450cam
Descriptor: CAMPHOR, Camphor 5-monooxygenase, POTASSIUM ION, ...
Authors:Kishimoto, A, Takagi, K, Amano, A, Sakurai, K, Mizushima, T, Shimada, H.
Deposit date:2014-02-25
Release date:2015-03-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure of P450cam intermedite
To be published
3WRJ
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BU of 3wrj by Molmil
Crystal structure of P450cam
Descriptor: CAMPHOR, Camphor 5-monooxygenase, POTASSIUM ION, ...
Authors:Kishimoto, A, Takagi, K, Amano, A, Sakurai, K, Mizushima, T, Shimada, H.
Deposit date:2014-02-25
Release date:2015-03-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure of P450cam intermedite
to be published
3WRL
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BU of 3wrl by Molmil
Crystal structure of P450cam
Descriptor: CAMPHOR, Camphor 5-monooxygenase, POTASSIUM ION, ...
Authors:Kishimoto, A, Takagi, K, Amano, A, Sakurai, K, Mizushima, T, Shimada, H.
Deposit date:2014-02-25
Release date:2015-03-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structure of P450cam intermedite
To be published
1E6E
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BU of 1e6e by Molmil
ADRENODOXIN REDUCTASE/ADRENODOXIN COMPLEX OF MITOCHONDRIAL P450 SYSTEMS
Descriptor: ADRENODOXIN, FE2/S2 (INORGANIC) CLUSTER, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Mueller, J.J, Lapko, A, Bourenkov, G, Ruckpaul, K, Heinemann, U.
Deposit date:2000-08-15
Release date:2001-08-09
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Adrenodoxin Reductase-Adrenodoxin Complex Structure Suggests Electron Transfer Path in Steroid Biosynthesis.
J.Biol.Chem., 276, 2001
4C9O
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BU of 4c9o by Molmil
Structure of Cyanide and Camphor bound D259N mutant of CYP101D1
Descriptor: CAMPHOR, CYANIDE ION, CYTOCHROME P450, ...
Authors:Batabyal, D, L Poulos, T.
Deposit date:2013-10-02
Release date:2013-12-04
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.977 Å)
Cite:Crystal Structures and Functional Characterization of Wild-Type Cyp101D1 and its Active Site Mutants.
Biochemistry, 52, 2013
3HUI
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BU of 3hui by Molmil
Crystal Structure of the mutant A105R of [2Fe-2S] Ferredoxin in the Class I CYP199A2 System from Rhodopseudomonas palustris
Descriptor: FE2/S2 (INORGANIC) CLUSTER, Ferredoxin
Authors:Bell, S.G, Xu, F, Rao, Z, Wong, L.-L.
Deposit date:2009-06-14
Release date:2010-02-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Protein recognition in ferredoxin-P450 electron transfer in the class I CYP199A2 system from Rhodopseudomonas palustris
J.Biol.Inorg.Chem., 15, 2010
1YJJ
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BU of 1yjj by Molmil
RDC-refined Solution NMR structure of oxidized putidaredoxin
Descriptor: FE2/S2 (INORGANIC) CLUSTER, Putidaredoxin
Authors:Jain, N.U, Tjioe, E, Savidor, A, Boulie, J.
Deposit date:2005-01-14
Release date:2005-06-28
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Redox-dependent structural differences in putidaredoxin derived from homologous structure refinement via residual dipolar couplings.
Biochemistry, 44, 2005
4C9P
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BU of 4c9p by Molmil
Structure of camphor bound T260A mutant of CYP101D1
Descriptor: CAMPHOR, CYTOCHROME P450, GLYCEROL, ...
Authors:Batabyal, D, L Poulos, T.
Deposit date:2013-10-02
Release date:2013-12-04
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.799 Å)
Cite:Crystal Structures and Functional Characterization of Wild Type and Active Sites Mutants of Cyp101D1.
Biochemistry, 52, 2013
4C9L
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BU of 4c9l by Molmil
Structure of Cyanide and Camphor bound wild type CYP101D1
Descriptor: CAMPHOR, CYANIDE ION, CYTOCHROME P450, ...
Authors:Batabyal, D, L Poulos, T.
Deposit date:2013-10-02
Release date:2013-12-04
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.801 Å)
Cite:Crystal Structures and Functional Characterization of Wild Type and Active Sites Mutants of Cyp101D1.
Biochemistry, 52, 2013
4C9N
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BU of 4c9n by Molmil
Structure of camphor and hydroxycamphor bound D259N mutant of CYP101D1
Descriptor: 5-EXO-HYDROXYCAMPHOR, CAMPHOR, CYTOCHROME P450, ...
Authors:Batabyal, D, L Poulos, T.
Deposit date:2013-10-02
Release date:2013-12-04
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structures and Functional Characterization of Wild Type and Active Sites Mutants of Cyp101D1.
Biochemistry, 52, 2013
4C9K
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BU of 4c9k by Molmil
Structure of Camphor and Hydroxycamphor bound wild type CYP101D1
Descriptor: 5-EXO-HYDROXYCAMPHOR, CAMPHOR, CYTOCHROME P450, ...
Authors:Batabyal, D, L Poulos, T.
Deposit date:2013-10-02
Release date:2013-12-04
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Crystal Structures and Functional Characterization of Wild-Type Cyp101D1 and its Active Site Mutants.
Biochemistry, 52, 2013
8AMP
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BU of 8amp by Molmil
Crystal structure of M.tuberculosis ferredoxin Fdx
Descriptor: FE (III) ION, FE3-S4 CLUSTER, Possible ferredoxin
Authors:Bukhdruker, S, Kavaleuski, A, Marin, E, Kapranov, I, Mishin, A, Gilep, A, Strushkevich, N, Borshchevskiy, V.
Deposit date:2022-08-03
Release date:2023-02-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural insights into 3Fe-4S ferredoxins diversity in M. tuberculosis highlighted by a first redox complex with P450.
Front Mol Biosci, 9, 2022
1CJC
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BU of 1cjc by Molmil
STRUCTURE OF ADRENODOXIN REDUCTASE OF MITOCHONDRIAL P450 SYSTEMS
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, PROTEIN (ADRENODOXIN REDUCTASE)
Authors:Ziegler, G.A, Vonrhein, C, Schulz, G.E.
Deposit date:1999-04-12
Release date:1999-04-30
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The structure of adrenodoxin reductase of mitochondrial P450 systems: electron transfer for steroid biosynthesis.
J.Mol.Biol., 289, 1999
4OXX
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BU of 4oxx by Molmil
Crystal Structure of Cindoxin, Surface Entropy reduction Mutant
Descriptor: Cindoxin, FLAVIN MONONUCLEOTIDE
Authors:Madrona, Y, Poulos, T.L.
Deposit date:2014-02-07
Release date:2014-04-16
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.21 Å)
Cite:Crystal structure of cindoxin, the P450cin redox partner.
Biochemistry, 53, 2014
4APY
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BU of 4apy by Molmil
Ethylene glycol-bound form of P450 CYP125A3 from Mycobacterium smegmatis
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, P450 HEME-THIOLATE PROTEIN, ...
Authors:Frank, D.J, Garcia Fernandez, E, Kells, P.M, Garcia Lopez, J.L, Podust, L.M, Ortiz de Montellano, P.R.
Deposit date:2012-04-09
Release date:2013-02-27
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:A Highly Conserved Mycobacterial Cholesterol Catabolic Pathway.
Environ.Microbiol., 15, 2013
1OQQ
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BU of 1oqq by Molmil
Crystal structure of C73S/C85S mutant of putidaredoxin, a [2Fe-2S] ferredoxin from Pseudomonas putida, at 1.47A resolution
Descriptor: FE2/S2 (INORGANIC) CLUSTER, Putidaredoxin
Authors:Sevrioukova, I.F, Garcia, C, Li, H, Bhaskar, B, Poulos, T.L.
Deposit date:2003-03-10
Release date:2003-11-04
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Crystal structure of putidaredoxin, the [2Fe-2S] component of the P450cam monooxygenase system from Pseudomonas putida
J.MOL.BIOL., 333, 2003
1OQR
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BU of 1oqr by Molmil
Crystal structure of C73S mutant of putidaredoxin, a [2Fe-2S] ferredoxin from Pseudomonas putida, at 1.65A resolution
Descriptor: FE2/S2 (INORGANIC) CLUSTER, Putidaredoxin
Authors:Sevrioukova, I.F, Garcia, C, Li, H, Bhaskar, B, Poulos, T.L.
Deposit date:2003-03-10
Release date:2003-11-04
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal structure of putidaredoxin, the [2Fe-2S] component of the P450cam monooxygenase system from Pseudomonas putida
J.MOL.BIOL., 333, 2003
2YP1
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BU of 2yp1 by Molmil
Crystallization of a 45 kDa peroxygenase- peroxidase from the mushroom Agrocybe aegerita and structure determination by SAD utilizing only the haem iron
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ...
Authors:Piontek, K, Strittmatter, E, Ullrich, R, Plattner, D.A, Hofrichter, M.
Deposit date:2012-10-29
Release date:2013-10-23
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Structural Basis of Substrate Conversion in a New Aromatic Peroxygenase: P450 Functionality with Benefits
J.Biol.Chem., 288, 2013
2YOR
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BU of 2yor by Molmil
Crystallization of a 45 kDa peroxygenase- peroxidase from the mushroom Agrocybe aegerita and structure determination by SAD utilizing only the haem iron
Descriptor: 1H-imidazol-5-ylmethanol, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Piontek, K, Strittmatter, E, Ullrich, R, Plattner, D.A, Hofrichter, M.
Deposit date:2012-10-26
Release date:2013-10-23
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Structural Basis of Substrate Conversion in a New Aromatic Peroxygenase: P450 Functionality with Benefits
J.Biol.Chem., 288, 2013
9BBB
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BU of 9bbb by Molmil
Human CYP3A4 bound to an inhibitor
Descriptor: Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, cobicistat
Authors:Sevrioukova, I.F.
Deposit date:2024-04-05
Release date:2024-07-03
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Interaction of CYP3A4 with the inhibitor cobicistat: Structural and mechanistic insights and comparison with ritonavir
to be published

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数据于2024-11-06公开中

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