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6YCN
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Crystal structure of GcoA F169A bound to o-vanillin
分子名称: 2-(hydroxymethyl)-6-methoxy-phenol, Aromatic O-demethylase, cytochrome P450 subunit, ...
著者Hinchen, D.J, Mallinson, S.J.B, Allen, M.D, Ellis, E.S, Beckham, G.T, DuBois, J.L, McGeehan, J.E.
登録日2020-03-18
公開日2021-02-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Engineering a Cytochrome P450 for Demethylation of Lignin-Derived Aromatic Aldehydes.
Jacs Au, 1, 2021
6ZI7
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Crystal structure of OleP-oleandolide(DEO) bound to L-rhamnose
分子名称: (3~{R},4~{S},5~{R},6~{S},7~{S},9~{S},11~{R},12~{S},13~{R},14~{R})-3,5,7,9,11,13,14-heptamethyl-4,6,12-tris(oxidanyl)-1-oxacyclotetradecane-2,10-dione, Cytochrome P-450, FORMIC ACID, ...
著者Montemiglio, L.C, Savino, C, Vallone, B, Parisi, G, Freda, I.
登録日2020-06-25
公開日2020-10-21
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Dissecting the Cytochrome P450 OleP Substrate Specificity: Evidence for a Preferential Substrate.
Biomolecules, 10, 2020
6ZHZ
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OleP-oleandolide(DEO) in high salt crystallization conditions
分子名称: (3~{R},4~{S},5~{R},6~{S},7~{S},9~{S},11~{R},12~{S},13~{R},14~{R})-3,5,7,9,11,13,14-heptamethyl-4,6,12-tris(oxidanyl)-1-oxacyclotetradecane-2,10-dione, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cytochrome P-450, ...
著者Montemiglio, L.C, Savino, C, Vallone, B, Parisi, G, Cecchetti, C.
登録日2020-06-24
公開日2020-10-21
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Dissecting the Cytochrome P450 OleP Substrate Specificity: Evidence for a Preferential Substrate.
Biomolecules, 10, 2020
6ZI3
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Crystal structure of OleP-6DEB bound to L-rhamnose
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 6-DEOXYERYTHRONOLIDE B, Cytochrome P-450, ...
著者Montemiglio, L.C, Savino, C, Vallone, B, Parisi, G, Freda, I.
登録日2020-06-24
公開日2020-10-21
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Dissecting the Cytochrome P450 OleP Substrate Specificity: Evidence for a Preferential Substrate.
Biomolecules, 10, 2020
6ZI2
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OleP-oleandolide(DEO) in low salt crystallization conditions
分子名称: (3~{R},4~{S},5~{R},6~{S},7~{S},9~{S},11~{R},12~{S},13~{R},14~{R})-3,5,7,9,11,13,14-heptamethyl-4,6,12-tris(oxidanyl)-1-oxacyclotetradecane-2,10-dione, Cytochrome P-450, PROTOPORPHYRIN IX CONTAINING FE
著者Savino, C, Montemiglio, L.C, Vallone, B, Parisi, G, Cecchetti, C.
登録日2020-06-24
公開日2020-10-21
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.93 Å)
主引用文献Dissecting the Cytochrome P450 OleP Substrate Specificity: Evidence for a Preferential Substrate.
Biomolecules, 10, 2020
3GPH
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Human cytochrome P450 2E1 in complex with omega-imidazolyl-decanoic acid
分子名称: 10-(1H-imidazol-1-yl)decanoic acid, Cytochrome P450 2E1, PROTOPORPHYRIN IX CONTAINING FE
著者Porubsky, P.R, Battaile, K.P, Scott, E.E.
登録日2009-03-23
公開日2010-05-12
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Human cytochrome P450 2E1 structures with fatty acid analogs reveal a previously unobserved binding mode.
J.Biol.Chem., 285, 2010
3HF2
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Crystal structure of the I401P mutant of cytochrome P450 BM3
分子名称: Bifunctional P-450/NADPH-P450 reductase, PROTOPORPHYRIN IX CONTAINING FE
著者Yang, W, Whitehouse, C.J.C, Bell, S.G, Bartlam, M, Wong, L.L, Rao, Z.
登録日2009-05-10
公開日2009-06-30
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献A Highly Active Single-Mutation Variant of P450(BM3) (CYP102A1)
Chembiochem, 10, 2009
3IBD
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BU of 3ibd by Molmil
Crystal structure of a cytochrome P450 2B6 genetic variant in complex with the inhibitor 4-(4-chlorophenyl)imidazole
分子名称: 4-(4-CHLOROPHENYL)IMIDAZOLE, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B6, ...
著者Gay, S.C, Sun, L, Talakad, J.C, Shah, M.B, Stout, D.C, Halpert, J.R.
登録日2009-07-15
公開日2010-01-19
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of a cytochrome P450 2B6 genetic variant in complex with the inhibitor 4-(4-chlorophenyl)imidazole at 2.0-A resolution.
Mol.Pharmacol., 77, 2010
3IVY
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Crystal structure of Mycobacterium tuberculosis cytochrome P450 CYP125, p212121 crystal form
分子名称: Cytochrome P450 CYP125, PROTOPORPHYRIN IX CONTAINING FE
著者McLean, K.J, Levy, C, Munro, A.W, Leys, D.
登録日2009-09-02
公開日2009-11-03
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.352 Å)
主引用文献The Structure of Mycobacterium tuberculosis CYP125: molecular basis for cholesterol binding in a P450 needed for host infection.
J.Biol.Chem., 284, 2009
3IW2
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Crystal structure of Mycobacterium tuberculosis cytochrome P450 CYP125 in complex with econazole
分子名称: 4-[(2R)-2-[(4-chlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole, Cytochrome P450 CYP125, PROTOPORPHYRIN IX CONTAINING FE
著者McLean, K.J, Levy, C, Munro, A.W, Leys, D.
登録日2009-09-02
公開日2009-11-03
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献The Structure of Mycobacterium tuberculosis CYP125: molecular basis for cholesterol binding in a P450 needed for host infection.
J.Biol.Chem., 284, 2009
3G5F
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BU of 3g5f by Molmil
Crystallographic analysis of cytochrome P450 cyp121
分子名称: Cytochrome P450 121, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
著者Belin, P, Le Du, M.H, Gondry, M.
登録日2009-02-05
公開日2009-04-21
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Identification and structural basis of the reaction catalyzed by CYP121, an essential cytochrome P450 in Mycobacterium tuberculosis.
Proc.Natl.Acad.Sci.USA, 106, 2009
3IW0
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BU of 3iw0 by Molmil
Crystal structure of Mycobacterium tuberculosis cytochrome P450 CYP125, C2221 crystal form
分子名称: Cytochrome P450 CYP125, PHOSPHATE ION, PROTOPORPHYRIN IX CONTAINING FE
著者McLean, K.J, Levy, C, Munro, A.W, Leys, D.
登録日2009-09-02
公開日2009-11-03
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The Structure of Mycobacterium tuberculosis CYP125: molecular basis for cholesterol binding in a P450 needed for host infection.
J.Biol.Chem., 284, 2009
3G1Q
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Crystal structure of sterol 14-alpha demethylase (CYP51) from Trypanosoma brucei in ligand free state
分子名称: PROTOPORPHYRIN IX CONTAINING FE, Sterol 14-alpha-demethylase
著者Lepesheva, G.I, Hargrove, T.Y, Harp, J, Wawrzak, Z, Waterman, M.R, Park, H.
登録日2009-01-30
公開日2009-10-06
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Crystal structures of Trypanosoma brucei sterol 14alpha-demethylase and implications for selective treatment of human infections.
J.Biol.Chem., 285, 2010
3IW1
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Crystal structure of Mycobacterium tuberculosis cytochrome P450 CYP125 in complex with androstenedione
分子名称: 4-ANDROSTENE-3-17-DIONE, Cytochrome P450 CYP125, PROTOPORPHYRIN IX CONTAINING FE
著者McLean, K.J, Levy, C, Munro, A.W, Leys, D.
登録日2009-09-02
公開日2009-11-03
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The Structure of Mycobacterium tuberculosis CYP125: molecular basis for cholesterol binding in a P450 needed for host infection.
J.Biol.Chem., 284, 2009
3K1O
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Crystal structure of sterol 14-alpha demethylase (CYP51) from Trypanosoma cruzi in complex with a potential antichagasic drug, posaconazole
分子名称: 2,5-anhydro-1,3,4-trideoxy-2-(2,4-difluorophenyl)-6-O-{4-[4-(4-{1-[(1S,2S)-1-ethyl-2-hydroxypropyl]-5-oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl}phenyl)piperazin-1-yl]phenyl}-1-(1H-1,2,4-triazol-1-yl)-D-erythro-hexitol, PROTOPORPHYRIN IX CONTAINING FE, Sterol 14 alpha-demethylase
著者Lepesheva, G.I, Hargrove, T.Y, Anderson, S, Wawrzak, Z, Waterman, M.R.
登録日2009-09-28
公開日2009-10-27
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.89 Å)
主引用文献Structural Insights into Inhibition of Sterol 14{alpha}-Demethylase in the Human Pathogen Trypanosoma cruzi.
J.Biol.Chem., 285, 2010
3GW9
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Crystal structure of sterol 14-alpha demethylase (CYP51) from Trypanosoma brucei bound to an inhibitor N-(1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethyl)-4-(5-phenyl-1,3,4-oxaziazol-2-yl)benzamide
分子名称: N-[(1R)-1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide, PROTOPORPHYRIN IX CONTAINING FE, STEROL 14ALPHA-DEMETHYLASE
著者Lepesheva, G.I, Hargrove, T.Y, Harp, J, Wawrzak, Z, Waterman, M.R.
登録日2009-03-31
公開日2009-11-17
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Crystal structures of Trypanosoma brucei sterol 14alpha-demethylase and implications for selective treatment of human infections.
J.Biol.Chem., 285, 2010
3JUS
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Crystal structure of human lanosterol 14alpha-demethylase (CYP51) in complex with econazole
分子名称: 1-[(2R)-2-[(4-chlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole, 1-[(2S)-2-[(4-CHLOROBENZYL)OXY]-2-(2,4-DICHLOROPHENYL)ETHYL]-1H-IMIDAZOLE, Cycloheptakis-(1-4)-(alpha-D-glucopyranose), ...
著者Strushkevich, N, MacKenzie, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Usanov, S.A, Park, H, Structural Genomics Consortium (SGC)
登録日2009-09-15
公開日2010-03-02
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural basis of human CYP51 inhibition by antifungal azoles.
J. Mol. Biol., 397, 2010
3K9V
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Crystal structure of rat mitochondrial P450 24A1 S57D in complex with CHAPS
分子名称: 1,25-dihydroxyvitamin D(3) 24-hydroxylase, mitochondrial, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, ...
著者Annalora, A.J, Goodin, D.B, Hong, W, Zhang, Q, Johnson, E.F, Stout, C.D.
登録日2009-10-16
公開日2009-12-15
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of CYP24A1, a mitochondrial cytochrome P450 involved in vitamin D metabolism.
J.Mol.Biol., 396, 2010
3K9Y
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Crystal structure of rat mitochondrial P450 24A1 S57D in complex with CYMAL-5
分子名称: 1,25-dihydroxyvitamin D(3) 24-hydroxylase, mitochondrial, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, ...
著者Annalora, A.J, Goodin, D.B, Hong, W, Zhang, Q, Johnson, E.F, Stout, C.D.
登録日2009-10-16
公開日2009-12-15
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure of CYP24A1, a mitochondrial cytochrome P450 involved in vitamin D metabolism.
J.Mol.Biol., 396, 2010
3JUV
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Crystal structure of human lanosterol 14alpha-demethylase (CYP51)
分子名称: Cycloheptakis-(1-4)-(alpha-D-glucopyranose), Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE
著者Strushkevich, N, MacKenzie, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Usanov, S.A, Park, H, Structural Genomics Consortium (SGC)
登録日2009-09-15
公開日2010-03-02
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3.12 Å)
主引用文献Structural basis of human CYP51 inhibition by antifungal azoles.
J. Mol. Biol., 397, 2010
2L8M
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Reduced and CO-bound cytochrome P450cam (CYP101A1)
分子名称: CAMPHOR, CARBON MONOXIDE, CHLORIDE ION, ...
著者Pochapsky, T.C, Pochapsky, S.S, Dang, M, Asciutto, E, Madura, J.
登録日2011-01-19
公開日2011-02-16
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Experimentally Restrained Molecular Dynamics Simulations for Characterizing the Open States of Cytochrome P450(cam).
Biochemistry, 50, 2011
2LQD
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BU of 2lqd by Molmil
Reduced and CO-bound cytochrome P450cam (CYP101A1)
分子名称: CARBON MONOXIDE, Camphor 5-monooxygenase, POTASSIUM ION, ...
著者Pochapsky, T.C, Pochapsky, S.S, Asciutto, E, Madura, J, Young, M.J.
登録日2012-03-02
公開日2012-05-09
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Solution Structural Ensembles of Substrate-Free Cytochrome P450(cam).
Biochemistry, 51, 2012
2NNI
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CYP2C8dH complexed with montelukast
分子名称: Cytochrome P450 2C8, MONTELUKAST, PALMITIC ACID, ...
著者Schoch, G.A, Yano, J.K, Stout, C.D, Johnson, E.F.
登録日2006-10-24
公開日2007-10-23
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.8 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
2NZ5
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Structure and Function Studies of Cytochrome P450 158A1 from Streptomyces coelicolor A3(2)
分子名称: Cytochrome P450 CYP158A1, PROTOPORPHYRIN IX CONTAINING FE, naphthalene-1,2,4,5,7-pentol
著者Zhao, B, Lamb, D.C, Kelly, S.L, Waterman, M.R.
登録日2006-11-22
公開日2007-07-03
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Different binding modes of two flaviolin substrate molecules in cytochrome P450 158A1 (CYP158A1) compared to CYP158A2.
Biochemistry, 46, 2007
2NZA
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Structure and Function Studies of Cytochrome P450 158A1 from Streptomyces coelicolor A3(2)
分子名称: Cytochrome P450 CYP158A1, PROTOPORPHYRIN IX CONTAINING FE
著者Zhao, B, Waterman, M.R.
登録日2006-11-22
公開日2007-07-03
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Different binding modes of two flaviolin substrate molecules in cytochrome P450 158A1 (CYP158A1) compared to CYP158A2.
Biochemistry, 46, 2007

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