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2BDM
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BU of 2bdm by Molmil
Structure of Cytochrome P450 2B4 with Bound Bifonazole
Descriptor: 1-[PHENYL-(4-PHENYLPHENYL)-METHYL]IMIDAZOLE, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B4, ...
Authors:Zhao, Y, White, M.A, Muralidhara, B.K, Sun, L, Halpert, J.R, Stout, C.D.
Deposit date:2005-10-20
Release date:2005-12-27
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of microsomal cytochrome P450 2B4 complexed with the antifungal drug bifonazole: insight into P450 conformational plasticity and membrane interaction.
J.Biol.Chem., 281, 2006
2BZ9
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BU of 2bz9 by Molmil
Ligand-free structure of sterol 14alpha-demethylase from Mycobacterium tuberculosis in P2(1) space group
Descriptor: PROTOPORPHYRIN IX CONTAINING FE, STEROL 14ALPHA-DEMETHYLASE
Authors:Yermalitskaya, L.V, Waterman, M.R, Podust, L.M.
Deposit date:2005-08-12
Release date:2006-12-07
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Small Molecule Scaffolds for Cyp51 Inhibitors Identified by High Throughput Screening and Defined by X-Ray Crystallography
Antimicrob.Agents Chemother., 51, 2007
2NNI
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BU of 2nni by Molmil
CYP2C8dH complexed with montelukast
Descriptor: Cytochrome P450 2C8, MONTELUKAST, PALMITIC ACID, ...
Authors:Schoch, G.A, Yano, J.K, Stout, C.D, Johnson, E.F.
Deposit date:2006-10-24
Release date:2007-10-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Determinants of cytochrome P450 2C8 substrate binding: structures of complexes with montelukast, troglitazone, felodipine, and 9-cis-retinoic acid.
J.Biol.Chem., 283, 2008
2NNH
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BU of 2nnh by Molmil
CYP2C8dH complexed with 2 molecules of 9-cis retinoic acid
Descriptor: (9cis)-retinoic acid, Cytochrome P450 2C8, PALMITIC ACID, ...
Authors:Schoch, G.A, Yano, J.K, Stout, C.D, Johnson, E.F.
Deposit date:2006-10-24
Release date:2007-10-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Determinants of cytochrome P450 2C8 substrate binding: structures of complexes with montelukast, troglitazone, felodipine, and 9-cis-retinoic acid.
J.Biol.Chem., 283, 2008
4R20
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BU of 4r20 by Molmil
Zebra fish cytochrome P450 17A2 with Abiraterone
Descriptor: Abiraterone, Cytochrome P450 family 17 polypeptide 2, MERCURY (II) ION, ...
Authors:Pallan, P.S, Egli, M.
Deposit date:2014-08-08
Release date:2014-12-31
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.86 Å)
Cite:Structural and Kinetic Basis of Steroid 17 alpha, 20-Lyase Activity in Teleost Fish Cytochrome P450 17A1 and Its Absence in Cytochrome P450 17A2.
J.Biol.Chem., 290, 2015
4R21
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BU of 4r21 by Molmil
Zebra fish cytochrome P450 17A2 with Progesterone
Descriptor: Cytochrome P450 family 17 polypeptide 2, PROGESTERONE, PROTOPORPHYRIN IX CONTAINING FE
Authors:Pallan, P.S, Egli, M.
Deposit date:2014-08-08
Release date:2014-12-31
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural and Kinetic Basis of Steroid 17 alpha, 20-Lyase Activity in Teleost Fish Cytochrome P450 17A1 and Its Absence in Cytochrome P450 17A2.
J.Biol.Chem., 290, 2015
8SBI
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BU of 8sbi by Molmil
Crystal structure of human sterol 14 alpha-demethylase (CYP51) in the ligand-free state
Descriptor: Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Hargrove, T.Y, Wawrzak, Z, Lepesheva, G.I.
Deposit date:2023-04-03
Release date:2023-04-12
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.73 Å)
Cite:Structural dynamics of sterol 14 alpha demethylases upon catalysis
To Be Published
8SO2
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BU of 8so2 by Molmil
Human CYP3A4 bound to a substrate
Descriptor: CAFFEINE, Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE
Authors:Sevrioukova, I.F.
Deposit date:2023-04-28
Release date:2023-08-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Interaction of CYP3A4 with caffeine: First insights into multiple substrate binding.
J.Biol.Chem., 299, 2023
8SO1
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BU of 8so1 by Molmil
Human CYP3A4 bound to three caffeine molecules
Descriptor: CAFFEINE, Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE
Authors:Sevrioukova, I.F.
Deposit date:2023-04-28
Release date:2023-08-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Interaction of CYP3A4 with caffeine: First insights into multiple substrate binding.
J.Biol.Chem., 299, 2023
8SPP
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BU of 8spp by Molmil
Crystal structure of a heme enzyme RufO in rufomycin biosynthesis
Descriptor: Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE
Authors:Wang, Y, Jordan, S, Li, B.
Deposit date:2023-05-03
Release date:2023-08-23
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Structural and spectroscopic characterization of RufO indicates a new biological role in rufomycin biosynthesis.
J.Biol.Chem., 299, 2023
4R1Z
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BU of 4r1z by Molmil
Zebra fish cytochrome P450 17A1 with Abiraterone
Descriptor: Abiraterone, Cyp17a1 protein, PROTOPORPHYRIN IX CONTAINING FE
Authors:Pallan, P.S, Egli, M.
Deposit date:2014-08-08
Release date:2014-12-31
Last modified:2015-03-04
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structural and Kinetic Basis of Steroid 17 alpha, 20-Lyase Activity in Teleost Fish Cytochrome P450 17A1 and Its Absence in Cytochrome P450 17A2.
J.Biol.Chem., 290, 2015
8SG5
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BU of 8sg5 by Molmil
Cytochrome P450 (CYP) 3A5 crystallized with clotrimazole
Descriptor: 1-[(2-CHLOROPHENYL)(DIPHENYL)METHYL]-1H-IMIDAZOLE, Cytochrome P450 3A5, DODECYL NONA ETHYLENE GLYCOL ETHER, ...
Authors:Hsu, M.H, Johnson, E.F.
Deposit date:2023-04-11
Release date:2023-10-11
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Differential Effects of Clotrimazole on X-Ray Crystal Structures of Human Cytochromes P450 3A5 and 3A4.
Drug Metab.Dispos., 51, 2023
8SPD
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BU of 8spd by Molmil
Cytochrome P450 (CYP) 3A4 crystallized with clotrimazole
Descriptor: 1-[(2-CHLOROPHENYL)(DIPHENYL)METHYL]-1H-IMIDAZOLE, Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE
Authors:Hsu, M.H, Johnson, E.F.
Deposit date:2023-05-02
Release date:2023-10-11
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Differential Effects of Clotrimazole on X-Ray Crystal Structures of Human Cytochromes P450 3A5 and 3A4.
Drug Metab.Dispos., 51, 2023
8SS0
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BU of 8ss0 by Molmil
Human sterol 14 alpha-demethylase (CYP51) in complex with the reaction intermediate 14 alpha-aldehyde dihydrolanosterol
Descriptor: 3beta-hydroxy-10alpha,13alpha-lanosta-8,24-dien-30-al, Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Hargrove, T.Y, Wawrzak, Z, Guengerich, F.P, Lepesheva, G.I.
Deposit date:2023-05-08
Release date:2024-01-17
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Oxygen-18 Labeling Reveals a Mixed Fe-O Mechanism in the Last Step of Cytochrome P450 51 Sterol 14 alpha-Demethylation.
Angew.Chem.Int.Ed.Engl., 63, 2024
8SWL
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BU of 8swl by Molmil
Substrate free structure of cytochrome P450 CYP105Q4 from mycobacterium marinum
Descriptor: Cytochrome P450 105Q4 Cyp105Q4, PROTOPORPHYRIN IX CONTAINING FE, TRIETHYLENE GLYCOL
Authors:Mohamed, H.A, Bruning, J.B, Bell, S.G.
Deposit date:2023-05-19
Release date:2024-03-27
Last modified:2024-04-17
Method:X-RAY DIFFRACTION (3.06 Å)
Cite:Structural determination and characterisation of the CYP105Q4 cytochrome P450 enzyme from Mycobacterium marinum.
Arch.Biochem.Biophys., 754, 2024
4TPO
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BU of 4tpo by Molmil
High-resolution structure of TxtE with bound tryptophan substrate
Descriptor: GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, Putative P450-like protein, ...
Authors:Cahn, J.K.B, Dodani, S.C, Brinkmann-Chen, S, Heinsich, T, McIntosh, J.A, Arnold, F.H.
Deposit date:2014-06-08
Release date:2014-09-10
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.225 Å)
Cite:Structural, Functional, and Spectroscopic Characterization of the Substrate Scope of the Novel Nitrating Cytochrome P450 TxtE.
Chembiochem, 15, 2014
4TT5
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BU of 4tt5 by Molmil
Crystal Structure of CYP119 from Sulfolobus acidocaldarius, complexed with 4-(4-bromophenyl)-1H imidazole
Descriptor: 4-(4-bromophenyl)-1H-imidazole, Cytochrome P450 119, GLYCEROL, ...
Authors:Madrona, Y.
Deposit date:2014-06-19
Release date:2015-02-18
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:NMR and X-ray Analysis of CYP119 ligand-dependent conformational changes
To Be Published
4RSN
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BU of 4rsn by Molmil
Crystal structure of the E267V mutant of cytochrome P450 BM3
Descriptor: Bifunctional P-450/NADPH-P450 reductase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Zhou, W.H, Zhang, A.L, Zhang, T, Ren, X.K, Yorke, J.A, Taylor, A, Wong, L.-L.
Deposit date:2014-11-09
Release date:2015-12-02
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.701 Å)
Cite:Expanding the drug metabolism function of P450BM3
To be Published
8TAW
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BU of 8taw by Molmil
The crystal structure of T252E CYP199A4 bound to 4-(pyridin-2-yl)benzoic acid
Descriptor: 4-(pyridin-2-yl)benzoic acid, CHLORIDE ION, Cytochrome P450, ...
Authors:Podgorski, M.N, Bell, S.G.
Deposit date:2023-06-28
Release date:2023-10-25
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Characterisation of the heme aqua-ligand coordination environment in an engineered peroxygenase cytochrome P450 variant.
J.Inorg.Biochem., 249, 2023
8TNK
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BU of 8tnk by Molmil
The crystal structure of the T252E mutant of CYP199A4 bound to 4-benzylbenzoic acid
Descriptor: 4-benzylbenzoic acid, CHLORIDE ION, Cytochrome P450, ...
Authors:Podgorski, M.N, Bell, S.G.
Deposit date:2023-08-02
Release date:2023-10-25
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Characterisation of the heme aqua-ligand coordination environment in an engineered peroxygenase cytochrome P450 variant.
J.Inorg.Biochem., 249, 2023
8TAY
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BU of 8tay by Molmil
The crystal structure of T252E CYP199A4 bound to 4-(thiophen-3-yl)benzoic acid
Descriptor: 4-(thiophen-3-yl)benzoic acid, CHLORIDE ION, Cytochrome P450, ...
Authors:Podgorski, M.N, Bell, S.G.
Deposit date:2023-06-28
Release date:2023-10-25
Method:X-RAY DIFFRACTION (2.021 Å)
Cite:Characterisation of the heme aqua-ligand coordination environment in an engineered peroxygenase cytochrome P450 variant.
J.Inorg.Biochem., 249, 2023
4TPN
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BU of 4tpn by Molmil
High-resolution structure of TxtE in the absence of substrate
Descriptor: GLYCEROL, LITHIUM ION, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Cahn, J.K.B, Dodani, S.C, Brinkmann-Chen, S, Heinsich, T, McIntosh, J.A, Arnold, F.H.
Deposit date:2014-06-08
Release date:2014-09-10
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.18 Å)
Cite:Structural, Functional, and Spectroscopic Characterization of the Substrate Scope of the Novel Nitrating Cytochrome P450 TxtE.
Chembiochem, 15, 2014
8TDQ
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BU of 8tdq by Molmil
SFX-XFEL structure of CYP121 cocrystallized with substrate cYY
Descriptor: (3S,6S)-3,6-bis(4-hydroxybenzyl)piperazine-2,5-dione, Mycocyclosin synthase, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Nguyen, R.C, Dasgupta, M, Bhowmick, A, Kern, J.F, Liu, A.
Deposit date:2023-07-04
Release date:2023-11-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:In Situ Structural Observation of a Substrate- and Peroxide-Bound High-Spin Ferric-Hydroperoxo Intermediate in the P450 Enzyme CYP121.
J.Am.Chem.Soc., 145, 2023
8TDP
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BU of 8tdp by Molmil
Time-resolved SFX-XFEL crystal structure of CYP121 bound with cYY reacted with peracetic acid for 200 milliseconds
Descriptor: (3S,6S)-3,6-bis(4-hydroxybenzyl)piperazine-2,5-dione, HYDROGEN PEROXIDE, Mycocyclosin synthase, ...
Authors:Nguyen, R.C, Dasgupta, M, Bhowmick, A, Kern, J.F, Liu, A.
Deposit date:2023-07-04
Release date:2023-11-22
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:In Situ Structural Observation of a Substrate- and Peroxide-Bound High-Spin Ferric-Hydroperoxo Intermediate in the P450 Enzyme CYP121.
J.Am.Chem.Soc., 145, 2023
4RQL
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BU of 4rql by Molmil
Crystal structure of a human cytochrome P450 2B6 (Y226H/K262R) in complex with a monoterpene - sabinene
Descriptor: 1,2-ETHANEDIOL, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B6, ...
Authors:Shah, M.B.
Deposit date:2014-11-03
Release date:2015-01-28
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.105 Å)
Cite:Structural and Biophysical Characterization of Human Cytochromes P450 2B6 and 2A6 Bound to Volatile Hydrocarbons: Analysis and Comparison.
Mol.Pharmacol., 87, 2015

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PDB entries from 2024-06-19

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