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PDB: 1370 件
7TZW
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The crystal structure of WT CYP199A4 bound to 4-chlorobenzoic acid
分子名称: 4-CHLORO-BENZOIC ACID, CHLORIDE ION, Cytochrome P450, ...
著者Podgorski, M.N, Bell, S.G.
登録日2022-02-16
公開日2023-03-15
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.462 Å)
主引用文献Cytochrome P450-catalyzed oxidation of halogen-containing substrates.
J.Inorg.Biochem., 244, 2023
7TZX
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The crystal structure of WT CYP199A4 bound to 4-chloromethylbenzoic acid
分子名称: 4-(chloromethyl)benzoic acid, CHLORIDE ION, Cytochrome P450, ...
著者Podgorski, M.N, Scaffidi-Muta, J, Bell, S.G.
登録日2022-02-16
公開日2023-03-15
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.414 Å)
主引用文献Cytochrome P450-catalyzed oxidation of halogen-containing substrates.
J.Inorg.Biochem., 244, 2023
7UOR
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Crystal structure of cytochrome P450 enzyme CYP119 in complex with methyliridium(III) mesoporphyrin.
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cytochrome, NICKEL (II) ION, ...
著者Pereira, J.H, Bloomer, B.J, Hartwig, J.F, Adams, P.D.
登録日2022-04-13
公開日2023-02-22
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (3.16 Å)
主引用文献Mechanistic and structural characterization of an iridium-containing cytochrome reveals kinetically relevant cofactor dynamics
Nat Catal, 6, 2023
7V40
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Crystal structure of Class I P450 monooxygenase (P450tol) from Rhodococcus coprophilus TC-2
分子名称: PHOSPHATE ION, PROTOPORPHYRIN IX CONTAINING FE, p450tol monooxygenase
著者Zhang, L.L, Huang, J.W, Liu, W.D, Chen, C.C, Guo, R.T.
登録日2021-08-12
公開日2022-06-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Molecular Basis for a Toluene Monooxygenase to Govern Substrate Selectivity
Acs Catalysis, 12, 2022
7V41
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Crystal structure of Class I P450 monooxygenase (P450tol) from Rhodococcus coprophilus TC-2 in complex with toluene.
分子名称: PHOSPHATE ION, PROTOPORPHYRIN IX CONTAINING FE, TOLUENE, ...
著者Zhang, L.L, Huang, J.W, Liu, W.D, Chen, C.C, Guo, R.T.
登録日2021-08-12
公開日2022-06-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Molecular Basis for a Toluene Monooxygenase to Govern Substrate Selectivity
Acs Catalysis, 12, 2022
7V44
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Crystal structure of Class I P450 monooxygenase (P450tol) from Rhodococcus coprophilus TC-2 in complex with meta-chlorotoluene.
分子名称: 1-chloranyl-2-methyl-benzene, GLYCEROL, PHOSPHATE ION, ...
著者Zhang, L.L, Huang, J.W, Liu, W.D, Chen, C.C, Guo, R.T.
登録日2021-08-12
公開日2022-06-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Molecular Basis for a Toluene Monooxygenase to Govern Substrate Selectivity
Acs Catalysis, 12, 2022
7V43
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Crystal structure of Class I P450 monooxygenase (P450tol) from Rhodococcus coprophilus TC-2 in complex with para-chlorotoluene.
分子名称: 1-chloranyl-4-methyl-benzene, GLYCEROL, PHOSPHATE ION, ...
著者Zhang, L.L, Huang, J.W, Liu, W.D, Chen, C.C, Guo, R.T.
登録日2021-08-12
公開日2022-06-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Molecular Basis for a Toluene Monooxygenase to Govern Substrate Selectivity
Acs Catalysis, 12, 2022
7V42
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Crystal structure of Class I P450 monooxygenase (P450tol) from Rhodococcus coprophilus TC-2 in complex with benzyl-alcohol.
分子名称: PHOSPHATE ION, PROTOPORPHYRIN IX CONTAINING FE, p450tol monooxygenase, ...
著者Zhang, L.L, Huang, J.W, Liu, W.D, Chen, C.C, Guo, R.T.
登録日2021-08-12
公開日2022-06-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Molecular Basis for a Toluene Monooxygenase to Govern Substrate Selectivity
Acs Catalysis, 12, 2022
7V45
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Crystal structure of Class I P450 monooxygenase (P450tol) from Rhodococcus coprophilus TC-2 in complex with para-bromotoluene.
分子名称: 1-bromanyl-4-methyl-benzene, PHOSPHATE ION, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Zhang, L.L, Huang, J.W, Liu, W.D, Chen, C.C, Guo, R.T.
登録日2021-08-12
公開日2022-06-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Molecular Basis for a Toluene Monooxygenase to Govern Substrate Selectivity
Acs Catalysis, 12, 2022
7V46
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Crystal structure of Class I P450 monooxygenase (P450tol) from Rhodococcus coprophilus TC-2 in complex with ortho-chlorotoluene.
分子名称: 1-chloranyl-3-methyl-benzene, PHOSPHATE ION, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Zhang, L.L, Huang, J.W, Liu, W.D, Chen, C.C, Guo, R.T.
登録日2021-08-12
公開日2022-06-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Molecular Basis for a Toluene Monooxygenase to Govern Substrate Selectivity
Acs Catalysis, 12, 2022
7W97
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Crystal Structure of the CYP102A1 (P450BM3) Heme Domain with N-Hexadecanoyl-L-Homoserine
分子名称: (2~{S})-2-(hexadecanoylamino)-4-oxidanyl-butanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, GLYCEROL, ...
著者Karasawa, M, Stanfield, J.K, Kasai, C, Sugimoto, H, Shoji, O.
登録日2021-12-09
公開日2022-12-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Crystal Structure of the CYP102A1 (P450BM3) Heme Domain with N-Hexadecanoyl-L-Homoserine
To Be Published
7UWP
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Detergent-bound CYP51 from Acanthamoeba castellanii
分子名称: DODECYL-BETA-D-MALTOSIDE, PROTOPORPHYRIN IX CONTAINING FE, sterol 14a-demethylase
著者Hargrove, T.Y, Wawrzak, Z, Lepesheva, G.I.
登録日2022-05-03
公開日2023-04-12
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Identification of Potent and Selective Inhibitors of Acanthamoeba: Structural Insights into Sterol 14-Demethylase as a Key Drug Target
J.Med.Chem., 2024
7UAZ
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Crystal structure of human CYP3A4 with the caged inhibitor
分子名称: (N-[([2,2'-bipyridin]-5-yl-kappa~2~N~1~,N~1'~)methyl]-3-{[(pyridin-3-yl)methyl]sulfanyl}propanamide)bis[2-(pyridin-2-yl-kappaN)phenyl-kappaC~1~]iridium, Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE
著者Sevrioukova, I.F.
登録日2022-03-14
公開日2022-08-31
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Ir(III)-Based Agents for Monitoring the Cytochrome P450 3A4 Active Site Occupancy.
Inorg.Chem., 61, 2022
7UAY
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Crystal structure of human CYP3A4 with the caged inhibitor
分子名称: (N-[([2,2'-bipyridin]-5-yl-kappa~2~N~1~,N~1'~)methyl]-3-{[(pyridin-3-yl)methyl]sulfanyl}propanamide)bis[2-(quinolin-2-yl-kappaN)phenyl-kappaC~1~]iridium, Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE
著者Sevrioukova, I.F.
登録日2022-03-14
公開日2022-08-31
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.78 Å)
主引用文献Ir(III)-Based Agents for Monitoring the Cytochrome P450 3A4 Active Site Occupancy.
Inorg.Chem., 61, 2022
7UF9
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CYP3A4 bound to an inhibitor
分子名称: Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl [(2S)-1-{[(2R)-1-oxo-3-phenyl-1-{[2-(pyridin-4-yl)ethyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate
著者Sevrioukova, I.
登録日2022-03-22
公開日2022-07-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Interaction of CYP3A4 with Rationally Designed Ritonavir Analogues: Impact of Steric Constraints Imposed on the Heme-Ligating Group and the End-Pyridine Attachment.
Int J Mol Sci, 23, 2022
7UFF
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BU of 7uff by Molmil
Human CYP3A4 bound to an inhibitor
分子名称: Cytochrome P450 3A4, N-(2-oxo-2-{[(2S)-1-{[(2R)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]amino}ethyl)pyridine-3-carboxamide, PHOSPHATE ION, ...
著者Sevrioukova, I.F.
登録日2022-03-22
公開日2022-07-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Interaction of CYP3A4 with Rationally Designed Ritonavir Analogues: Impact of Steric Constraints Imposed on the Heme-Ligating Group and the End-Pyridine Attachment.
Int J Mol Sci, 23, 2022
7UFD
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Human CYP3A4 bound to an inhibitor
分子名称: (2S)-3-phenyl-2-({(2S)-3-phenyl-2-[3-(pyridin-3-yl)propanamido]propyl}sulfanyl)-N-[2-(pyridin-3-yl)ethyl]propanamide, Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE
著者Sevrioukova, I.F.
登録日2022-03-22
公開日2022-07-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Interaction of CYP3A4 with Rationally Designed Ritonavir Analogues: Impact of Steric Constraints Imposed on the Heme-Ligating Group and the End-Pyridine Attachment.
Int J Mol Sci, 23, 2022
7UFE
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BU of 7ufe by Molmil
Human CYP3A4 bound to an inhibitor
分子名称: Cytochrome P450 3A4, GLYCEROL, N-[(2S)-1-{[(2R)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]pyridine-3-carboxamide, ...
著者Sevrioukova, I.F.
登録日2022-03-22
公開日2022-07-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Interaction of CYP3A4 with Rationally Designed Ritonavir Analogues: Impact of Steric Constraints Imposed on the Heme-Ligating Group and the End-Pyridine Attachment.
Int J Mol Sci, 23, 2022
7UFA
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BU of 7ufa by Molmil
CYP3A4 bound to an inhibitor
分子名称: Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl [(2S)-1-{[(2R)-1-oxo-3-phenyl-1-{[3-(pyridin-4-yl)propyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate
著者Sevrioukova, I.
登録日2022-03-22
公開日2022-07-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Interaction of CYP3A4 with Rationally Designed Ritonavir Analogues: Impact of Steric Constraints Imposed on the Heme-Ligating Group and the End-Pyridine Attachment.
Int J Mol Sci, 23, 2022
7UFC
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Human CYP3A4 bound to an inhibitor
分子名称: (2R)-3-phenyl-2-({(2S)-3-phenyl-2-[3-(pyridin-3-yl)propanamido]propyl}sulfanyl)-N-[2-(pyridin-3-yl)ethyl]propanamide, Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE
著者Sevrioukova, I.F.
登録日2022-03-22
公開日2022-07-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Interaction of CYP3A4 with Rationally Designed Ritonavir Analogues: Impact of Steric Constraints Imposed on the Heme-Ligating Group and the End-Pyridine Attachment.
Int J Mol Sci, 23, 2022
7UFB
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CYP3A4 bound to an inhibitor
分子名称: (2R)-3-phenyl-2-({(2S)-3-phenyl-2-[2-(pyridin-3-yl)acetamido]propyl}sulfanyl)-N-[(pyridin-3-yl)methyl]propanamide, Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE
著者Sevrioukova, I.
登録日2022-03-22
公開日2022-07-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Interaction of CYP3A4 with Rationally Designed Ritonavir Analogues: Impact of Steric Constraints Imposed on the Heme-Ligating Group and the End-Pyridine Attachment.
Int J Mol Sci, 23, 2022
7UDF
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The crystal structure of F298V CYP199A4 bound to 4-n-propylbenzoic acid
分子名称: 4-propylbenzoic acid, CHLORIDE ION, Cytochrome P450, ...
著者Podgorski, M.N, Bell, S.G.
登録日2022-03-18
公開日2023-01-04
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Exploring the Factors which Result in Cytochrome P450 Catalyzed Desaturation Versus Hydroxylation.
Chem Asian J, 17, 2022
7WEX
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The crystal structure of substrate-free CYP107X1 from Streptomyces avermitilis
分子名称: Cytochrome P450 hydroxylase, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE
著者Xu, L.-H, Lin, S, Gao, L.
登録日2021-12-24
公開日2022-06-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献The 16 alpha-Hydroxylation of Progesterone by Cytochrome P450 107X1 from Streptomyces avermitilis.
Chem.Biodivers., 19, 2022
7WYG
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BU of 7wyg by Molmil
Crystal structure of P450BSbeta-L78I/Q85H/G290I variant in complex with palmitic acid.
分子名称: Cytochrome P450 152A1, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ...
著者Li, F, He, C, Wang, X.
登録日2022-02-16
公開日2022-12-21
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Biocatalytic Enantioselective beta-Hydroxylation of Unactivated C-H Bonds in Aliphatic Carboxylic Acids.
Angew.Chem.Int.Ed.Engl., 61, 2022
7WY3
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Structure of the Oxomolybdenum Mesoporphyrin IX-Reconstituted CYP102A1 F87V Mutant Haem Domain with N-(5-Cyclohexyl)valeroyl-L-Phenylalanine in complex with Styrene
分子名称: (2~{S})-2-(5-cyclohexylpentanoylamino)-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, CHLORIDE ION, ...
著者Suzuki, K, Stanfield, J.K, Shisaka, Y, Omura, K, Kasai, C, Sugimoto, H, Shoji, O.
登録日2022-02-15
公開日2023-01-04
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献A Compound I Mimic Reveals the Transient Active Species of a Cytochrome P450 Enzyme: Insight into the Stereoselectivity of P450-Catalysed Oxidations.
Angew.Chem.Int.Ed.Engl., 62, 2023

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