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5GNL
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BU of 5gnl by Molmil
Cytochrome P450 Vdh (CYP107BR1) F106V mutant
Descriptor: 2-(2-METHOXYETHOXY)ETHANOL, PROTOPORPHYRIN IX CONTAINING FE, Vitamin D(3) 25-hydroxylase
Authors:Yasutake, Y, Tamura, T.
Deposit date:2016-07-22
Release date:2017-05-17
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural insights into the mechanism of the drastic changes in enzymatic activity of the cytochrome P450 vitamin D3 hydroxylase (CYP107BR1) caused by a mutation distant from the active site
Acta Crystallogr F Struct Biol Commun, 73, 2017
5UCW
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BU of 5ucw by Molmil
Cytochrome P411 P-4 A82L A78V F263L amination catalyst
Descriptor: NADPH-cytochrome P450 reductase 102A1V3, PROTOPORPHYRIN IX CONTAINING FE
Authors:Zhang, R.K, Buller, A.R, Arnold, F.H.
Deposit date:2016-12-22
Release date:2017-05-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Enantioselective, intermolecular benzylic C-H amination catalysed by an engineered iron-haem enzyme.
Nat Chem, 9, 2017
5GNM
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BU of 5gnm by Molmil
Cytochrome P450 Vdh (CYP107BR1) L348M mutant
Descriptor: PROTOPORPHYRIN IX CONTAINING FE, Vitamin D(3) 25-hydroxylase
Authors:Yasutake, Y, Tamura, T.
Deposit date:2016-07-22
Release date:2017-05-17
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural insights into the mechanism of the drastic changes in enzymatic activity of the cytochrome P450 vitamin D3 hydroxylase (CYP107BR1) caused by a mutation distant from the active site
Acta Crystallogr F Struct Biol Commun, 73, 2017
5VBU
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BU of 5vbu by Molmil
Crystal Structure of Human Cytochrome P450 21A2 Hydroxyprogesterone Complex
Descriptor: (9beta)-17-hydroxypregn-4-ene-3,20-dione, Cytochrome P450 21-hydroxylase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Pallan, P.S, Egli, M.
Deposit date:2017-03-30
Release date:2017-05-31
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (3.31 Å)
Cite:Functional analysis of human cytochrome P450 21A2 variants involved in congenital adrenal hyperplasia.
J. Biol. Chem., 292, 2017
5VC0
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BU of 5vc0 by Molmil
Crystal structure of human CYP3A4 bound to ritonavir
Descriptor: Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, RITONAVIR
Authors:Sevrioukova, I.
Deposit date:2017-03-30
Release date:2017-05-31
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:High-Level Production and Properties of the Cysteine-Depleted Cytochrome P450 3A4.
Biochemistry, 56, 2017
5VCE
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BU of 5vce by Molmil
Crystal structure of the cysteine depleted CYP3A4 bound to ritonavir
Descriptor: Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, RITONAVIR
Authors:Sevrioukova, I.
Deposit date:2017-03-31
Release date:2017-05-31
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:High-Level Production and Properties of the Cysteine-Depleted Cytochrome P450 3A4.
Biochemistry, 56, 2017
5VCC
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BU of 5vcc by Molmil
Crystal structure of human CYP3A4 bound to glycerol
Descriptor: 1,2-ETHANEDIOL, Cytochrome P450 3A4, GLYCEROL, ...
Authors:Sevrioukova, I.
Deposit date:2017-03-31
Release date:2017-05-31
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:High-Level Production and Properties of the Cysteine-Depleted Cytochrome P450 3A4.
Biochemistry, 56, 2017
5VCD
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BU of 5vcd by Molmil
Crystal structure of the cysteine depleted CYP3A4 bound to glycerol
Descriptor: Cytochrome P450 3A4, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE
Authors:Sevrioukova, I.
Deposit date:2017-03-31
Release date:2017-05-31
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:High-Level Production and Properties of the Cysteine-Depleted Cytochrome P450 3A4.
Biochemistry, 56, 2017
5VCG
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Crystal structure of the cysteine depleted CYP3A4 bound to bromoergocryptine
Descriptor: Cytochrome P450 3A4, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Sevrioukova, I.
Deposit date:2017-03-31
Release date:2017-05-31
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:High-Level Production and Properties of the Cysteine-Depleted Cytochrome P450 3A4.
Biochemistry, 56, 2017
5G5J
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BU of 5g5j by Molmil
Crystal structure of human CYP3A4 bound to metformin
Descriptor: CYTOCHROME P450 3A4, Metformin, PROTOPORPHYRIN IX CONTAINING FE
Authors:Sevrioukova, I.
Deposit date:2016-05-25
Release date:2017-06-07
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Heme Binding Biguanides Target Cytochrome P450-Dependent Cancer Cell Mitochondria.
Cell Chem Biol, 24, 2017
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
5K7K
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BU of 5k7k by Molmil
Design and Optimization of Biaryl Ether Aryl Sulfonamides as Selective Inhibitors of NaV1.7: Discovery of Clinical Candidate PF-05089771
Descriptor: 4-[4-chloranyl-2-(1~{H}-pyrazol-4-yl)phenoxy]-3-cyano-~{N}-(1,3-thiazol-2-yl)benzenesulfonamide, Cytochrome P450 2C9, PROTOPORPHYRIN IX CONTAINING FE
Authors:Swain, N, Chrencik, J.
Deposit date:2016-05-26
Release date:2017-06-07
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of Clinical Candidate 4-[2-(5-Amino-1H-pyrazol-4-yl)-4-chlorophenoxy]-5-chloro-2-fluoro-N-1,3-thiazol-4-ylbenzenesulfonamide (PF-05089771): Design and Optimization of Diaryl Ether Aryl Sulfonamides as Selective Inhibitors of NaV1.7.
J. Med. Chem., 60, 2017
5GWE
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BU of 5gwe by Molmil
cytochrome P450 CREJ
Descriptor: (4-methylphenyl) dihydrogen phosphate, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Dong, S, liu, X, Wang, X, Feng, Y.
Deposit date:2016-09-11
Release date:2017-07-12
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Selective oxidation of aliphatic C-H bonds in alkylphenols by a chemomimetic biocatalytic system
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5XJN
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BU of 5xjn by Molmil
cytochrome P450 CREJ in complex with (4-ethylphenyl) dihydrogen phosphate
Descriptor: (4-ethylphenyl) dihydrogen phosphate, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE
Authors:Dong, S, Du, L, Li, S, Feng, Y.
Deposit date:2017-05-03
Release date:2017-07-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Selective oxidation of aliphatic C-H bonds in alkylphenols by a chemomimetic biocatalytic system
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5UHU
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BU of 5uhu by Molmil
Solution conformation of cytochrome P450 MycG with mycinamicin IV bound
Descriptor: MYCINAMICIN IV, Mycinamicin IV hydroxylase/epoxidase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Pochapsky, T.C, Tietz, D.R.
Deposit date:2017-01-12
Release date:2017-08-23
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Solution Conformations and Dynamics of Substrate-Bound Cytochrome P450 MycG.
Biochemistry, 56, 2017
5WK9
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BU of 5wk9 by Molmil
R186AP450cam with CN and camphor
Descriptor: CAMPHOR, CYANIDE ION, Camphor 5-monooxygenase, ...
Authors:Poulos, T.L, Batabyal, D.
Deposit date:2017-07-24
Release date:2017-09-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.983 Å)
Cite:Effect of Redox Partner Binding on Cytochrome P450 Conformational Dynamics.
J. Am. Chem. Soc., 139, 2017
5WK7
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BU of 5wk7 by Molmil
P450cam mutant R186A
Descriptor: 5-EXO-HYDROXYCAMPHOR, Camphor 5-monooxygenase, POTASSIUM ION, ...
Authors:Batabyal, D, Poulos, T.L.
Deposit date:2017-07-24
Release date:2017-09-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.983 Å)
Cite:Effect of Redox Partner Binding on Cytochrome P450 Conformational Dynamics.
J. Am. Chem. Soc., 139, 2017
5Y1I
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BU of 5y1i by Molmil
The crystal structure of GfsF
Descriptor: Cytochrome P450, DI(HYDROXYETHYL)ETHER, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Miyanaga, A, Kudo, F, Eguchi, T.
Deposit date:2017-07-20
Release date:2017-09-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Substrate Recognition by a Dual-Function P450 Monooxygenase GfsF Involved in FD-891 Biosynthesis
Chembiochem, 18, 2017
5W0C
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BU of 5w0c by Molmil
Cytochrome P450 (CYP) 2C9 TCA007 Inhibitor Complex
Descriptor: Cytochrome P450 2C9, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Johnson, E.F, Hsu, M.-H.
Deposit date:2017-05-30
Release date:2017-09-13
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.001 Å)
Cite:Determinants of the Inhibition of DprE1 and CYP2C9 by Antitubercular Thiophenes.
Angew. Chem. Int. Ed. Engl., 56, 2017
5OFQ
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BU of 5ofq by Molmil
Crystal structure of substrate-free CYP109A2 from Bacillus megaterium
Descriptor: Cytochrome P450, PENTAETHYLENE GLYCOL, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Jozwik, I.K, Thunnissen, A.M.W.H.
Deposit date:2017-07-11
Release date:2017-09-27
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Biochemical and structural characterization of CYP109A2, a vitamin D3 25-hydroxylase from Bacillus megaterium.
FEBS J., 284, 2017
5TL8
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BU of 5tl8 by Molmil
Naegleria fowleri CYP51-posaconazole complex
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, POSACONAZOLE, ...
Authors:Podust, L.M, Jennings, G, Calvet-Alvarez, C, Debnath, A.
Deposit date:2016-10-10
Release date:2017-10-11
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Structure of the Naegleria fowleri CYP51 at 1.7 Angstroms resolution
To be published
5X24
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BU of 5x24 by Molmil
Crystal structure of CYP2C9 genetic variant I359L (*3) in complex with multiple losartan molecules
Descriptor: Cytochrome P450 2C9, PHOSPHATE ION, POTASSIUM ION, ...
Authors:Maekawa, K, Adachi, M, Shah, M.B.
Deposit date:2017-01-30
Release date:2017-10-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Structural Basis of Single-Nucleotide Polymorphisms in Cytochrome P450 2C9
Biochemistry, 56, 2017
5X23
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BU of 5x23 by Molmil
Crystal structure of CYP2C9 genetic variant A477T (*30) in complex with multiple losartan molecules
Descriptor: Cytochrome P450 2C9, PHOSPHATE ION, POTASSIUM ION, ...
Authors:Maekawa, K, Adachi, M, Shah, M.B.
Deposit date:2017-01-30
Release date:2017-10-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Basis of Single-Nucleotide Polymorphisms in Cytochrome P450 2C9
Biochemistry, 56, 2017
5XXI
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BU of 5xxi by Molmil
Crystal structure of CYP2C9 in complex with multiple losartan molecules
Descriptor: Cytochrome P450 2C9, POTASSIUM ION, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Maekawa, K, Adachi, M, Shah, M.B.
Deposit date:2017-07-04
Release date:2017-10-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural Basis of Single-Nucleotide Polymorphisms in Cytochrome P450 2C9
Biochemistry, 56, 2017
5VEU
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BU of 5veu by Molmil
Human Cytochrome P450 3A5 (CYP3A5)
Descriptor: Cytochrome P450 3A5, PROTOPORPHYRIN IX CONTAINING FE, RITONAVIR
Authors:Hsu, M.-H, Johnson, E.F.
Deposit date:2017-04-05
Release date:2017-11-15
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.91 Å)
Cite:The X-Ray Crystal Structure of the Human Mono-Oxygenase Cytochrome P450 3A5-Ritonavir Complex Reveals Active Site Differences between P450s 3A4 and 3A5.
Mol. Pharmacol., 93, 2018

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