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PDB: 1373 件
2V0M
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Crystal structure of human P450 3A4 in complex with ketoconazole
分子名称: 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
著者Sjogren, T, Ekroos, M.
登録日2007-05-15
公開日2007-06-26
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural Basis for Ligand Promiscuity in Cytochrome P450 3A4
Proc.Natl.Acad.Sci.USA, 103, 2006
5EAC
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BU of 5eac by Molmil
Saccharomyces cerevisiae CYP51 complexed with the plant pathogen inhibitor R-tebuconazole
分子名称: (3~{R})-1-(4-chlorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol, Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE
著者Tyndall, J.D.A, Sabherwal, M, Sagatova, A.A, Keniya, M.V, Wilson, R.K, Woods, M.V, Monk, B.C.
登録日2015-10-16
公開日2016-02-10
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Structural and Functional Elucidation of Yeast Lanosterol 14 alpha-Demethylase in Complex with Agrochemical Antifungals.
PLoS ONE, 11, 2016
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
5LIE
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Crystal structure of Mycobacterium tuberculosis CYP126A1 in complex with imidazole
分子名称: IMIDAZOLE, PROTOPORPHYRIN IX CONTAINING FE, Putative cytochrome P450 126
著者Levy, C, Munro, A.W, Leys, D.
登録日2016-07-14
公開日2016-12-21
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.799 Å)
主引用文献Structural Characterization and Ligand/Inhibitor Identification Provide Functional Insights into the Mycobacterium tuberculosis Cytochrome P450 CYP126A1.
J. Biol. Chem., 292, 2017
2VN0
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CYP2C8DH COMPLEXED WITH TROGLITAZONE
分子名称: (5R)-5-(4-{[(2R)-6-HYDROXY-2,5,7,8-TETRAMETHYL-3,4-DIHYDRO-2H-CHROMEN-2-YL]METHOXY}BENZYL)-1,3-THIAZOLIDINE-2,4-DIONE, CYTOCHROME P450 2C8, PALMITIC ACID, ...
著者Schoch, G.A, Yano, J.K, Sansen, S, Stout, C.D, Johnson, E.F.
登録日2008-01-30
公開日2008-04-29
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Determinants of cytochrome P450 2C8 substrate binding: structures of complexes with montelukast, troglitazone, felodipine, and 9-cis-retinoic acid.
J. Biol. Chem., 283, 2008
2VKU
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BU of 2vku by Molmil
4,4'-Dihydroxybenzophenone Mimics Sterol Substrate in the Binding Site of Sterol 14alpha-Demethylase (CYP51) in the X-ray Structure of the Complex
分子名称: CYTOCHROME P450 51, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, ...
著者Eddine, A.N, von Kries, J.P, Podust, M.V, Podust, L.M.
登録日2007-12-29
公開日2008-03-25
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献X-Ray Structure of 4,4'-Dihydroxybenzophenone Mimicking Sterol Substrate in the Active Site of Sterol 14Alpha-Demethylase (Cyp51)
J.Biol.Chem., 283, 2008
3DL9
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Crystal structure of CYP2R1 in complex with 1-alpha-hydroxy-vitamin D2
分子名称: (1S,3R,5Z,7E,22E)-9,10-secoergosta-5,7,10,22-tetraene-1,3-diol, Cycloheptakis-(1-4)-(alpha-D-glucopyranose), Cytochrome P450 2R1, ...
著者Strushkevich, N.V, Tempel, W, Gilep, A.A, Loppnau, P, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Wilkstrom, M, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
登録日2008-06-26
公開日2008-08-05
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.721 Å)
主引用文献Crystal structure of CYP2R1 in complex with 1-alpha-hydroxy-vitamin D2.
To be Published
5DYZ
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BU of 5dyz by Molmil
Crystal structure of Asp251Gly/Gln307His mutant of cytochrome P450 BM3 in complex with N-palmitoylglycine
分子名称: Bifunctional P-450/NADPH-P450 reductase, N-PALMITOYLGLYCINE, PROTOPORPHYRIN IX CONTAINING FE
著者Di Nardo, G, Dell'Angelo, V, Gilardi, G.
登録日2015-09-25
公開日2016-01-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.967 Å)
主引用文献Subtle structural changes in the Asp251Gly/Gln307His P450 BM3 mutant responsible for new activity toward diclofenac, tolbutamide and ibuprofen.
Arch.Biochem.Biophys., 602, 2016
5E7Y
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Crystal structure of P450 BM3 heme domain M7 variant
分子名称: Bifunctional P-450/NADPH-P450 reductase, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE
著者Panneerselvm, S, Shehzad, A, Bocola, M, Mueller-Dieckmann, J, Schwaneberg, U.
登録日2015-10-13
公開日2017-01-25
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of P450 BM3 heme domain M7 variant
To Be Published
2W0A
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BU of 2w0a by Molmil
CYP51 of M. tuberculosis bound to an inhibitor N-[(1S)-2-METHYL-1-(PYRIDIN-4-YLCARBAMOYL)PROPYL]CYCLOHEXANECARBOXAMIDE
分子名称: CYTOCHROME P450 51, N-[(1S)-2-methyl-1-(pyridin-4-ylcarbamoyl)propyl]cyclohexanecarboxamide, PROTOPORPHYRIN IX CONTAINING FE
著者Podust, L.M.
登録日2008-08-12
公開日2009-01-20
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Trypanosoma Cruzi Cyp51 Inhibitor Derived from a Mycobacterium Tuberculosis Screen Hit.
Plos Negl Trop Dis, 3, 2009
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
5D40
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Crystal structure of the 5-selective H176Y mutant of Cytochrome TxtE
分子名称: CHLORIDE ION, GLYCEROL, P450-like protein, ...
著者Cahn, J.K.B, Dodani, S.C, Arnold, F.H.
登録日2015-08-06
公開日2016-06-22
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Discovery of a regioselectivity switch in nitrating P450s guided by molecular dynamics simulations and Markov models.
Nat.Chem., 8, 2016
5JL7
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BU of 5jl7 by Molmil
HUMAN PLACENTAL AROMATASE CYTOCHROME P450 (CYP19A1): ANDROSTENEDIONE COMPLEX #3
分子名称: 4-ANDROSTENE-3-17-DIONE, Aromatase, PROTOPORPHYRIN IX CONTAINING FE
著者Ghosh, D, Lo, J, Egbuta, C.
登録日2016-04-26
公開日2017-04-26
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Testosterone complex and non-steroidal ligands of human aromatase.
J. Steroid Biochem. Mol. Biol., 2018
5LI8
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BU of 5li8 by Molmil
Crystal structure of Mycobacterium tuberculosis CYP126A1 in complex with ketoconazole
分子名称: 1-acetyl-4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine, PROTOPORPHYRIN IX CONTAINING FE, Putative cytochrome P450 126
著者Levy, C, Munro, A.W, Leys, D.
登録日2016-07-14
公開日2016-12-21
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Structural Characterization and Ligand/Inhibitor Identification Provide Functional Insights into the Mycobacterium tuberculosis Cytochrome P450 CYP126A1.
J. Biol. Chem., 292, 2017
3DSJ
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BU of 3dsj by Molmil
Crystal Structure of Arabidopsis thaliana Allene Oxide Synthase Variant (F137L) (At-AOS(F137L), cytochrome P450 74A, CYP74A) Complexed with 13(S)-HOD at 1.60 A Resolution
分子名称: (9Z,11E,13S)-13-hydroxyoctadeca-9,11-dienoic acid, Cytochrome P450 74A, chloroplast, ...
著者Lee, D.S, Nioche, P, Raman, C.S.
登録日2008-07-12
公開日2008-08-19
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural insights into the evolutionary paths of oxylipin biosynthetic enzymes
Nature, 455, 2008
3P3O
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BU of 3p3o by Molmil
Crystal Structure of the Cytochrome P450 Monooxygenase AurH (ntermII) from Streptomyces Thioluteus
分子名称: CHLORIDE ION, Cytochrome P450, GLYCEROL, ...
著者Zocher, G, Richter, M.E.A, Mueller, U, Hertweck, C.
登録日2010-10-05
公開日2011-02-16
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Structural fine-tuning of a multifunctional cytochrome p450 monooxygenase.
J.Am.Chem.Soc., 133, 2011
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
5LIV
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BU of 5liv by Molmil
Crystal structure of myxobacterial CYP260A1
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Cytochrome P450 CYP260A1,Cytochrome P450 CYP260A1, DIMETHYL SULFOXIDE, ...
著者Carius, Y, Khatri, Y, Bernhardt, R, Lancaster, C.R.D.
登録日2016-07-15
公開日2016-11-23
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.67 Å)
主引用文献Structural characterization of CYP260A1 from Sorangium cellulosum to investigate the 1 alpha-hydroxylation of a mineralocorticoid.
FEBS Lett., 590, 2016
3DSI
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BU of 3dsi by Molmil
Crystal Structure of Arabidopsis thaliana Allene Oxide Synthase (AOS, cytochrome P450 74A, CYP74A) Complexed with 13(S)-HOT at 1.60 A resolution
分子名称: (9Z,11E,13S,15Z)-13-hydroxyoctadeca-9,11,15-trienoic acid, Cytochrome P450 74A, chloroplast, ...
著者Lee, D.S, Nioche, P, Raman, C.S.
登録日2008-07-12
公開日2008-08-19
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural insights into the evolutionary paths of oxylipin biosynthetic enzymes
Nature, 455, 2008

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