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PDB: 1371 件
7RY8
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S. CEREVISIAE CYP51 Y140H mutant COMPLEXED WITH Voriconazole
分子名称: Lanosterol 14-alpha demethylase, PENTAETHYLENE GLYCOL, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Graham, D.O, Wilson, R.K, Ruma, Y.N, Keniya, M.V, Tyndall, J.D, Monk, B.C.
登録日2021-08-24
公開日2021-09-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Structural Insights into the Azole Resistance of the Candida albicans Darlington Strain Using Saccharomyces cerevisiae Lanosterol 14 alpha-Demethylase as a Surrogate.
J Fungi (Basel), 7, 2021
7RYX
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S. CEREVISIAE CYP51 COMPLEXED WITH VT-1129
分子名称: (2R)-2-(2,4-difluorophenyl)-1,1-difluoro-3-(1H-tetrazol-1-yl)-1-{5-[4-(trifluoromethoxy)phenyl]pyridin-2-yl}propan-2-ol, Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE
著者Ruma, Y.N, Sagatova, A, Keniya, M.V, Tyndall, J.D, Monk, B.C.
登録日2021-08-26
公開日2021-09-08
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Characterisation of Candida parapsilosis CYP51 as a Drug Target Using Saccharomyces cerevisiae as Host.
J Fungi, 8, 2022
7RYA
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S. CEREVISIAE CYP51 I471T MUTANT COMPLEXED WITH ITRACONAZOLE
分子名称: 2-[(2R)-butan-2-yl]-4-{4-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazin-1-yl]phenyl}-2,4-dihydro-3H-1,2,4-triazol-3-one, Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE
著者Graham, D.O, Wilson, R.K, Ruma, Y.N, Keniya, M.V, Tyndall, J.D, Monk, B.C.
登録日2021-08-24
公開日2021-09-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural Insights into the Azole Resistance of the Candida albicans Darlington Strain Using Saccharomyces cerevisiae Lanosterol 14 alpha-Demethylase as a Surrogate.
J Fungi (Basel), 7, 2021
3RUK
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BU of 3ruk by Molmil
Human Cytochrome P450 CYP17A1 in complex with Abiraterone
分子名称: Abiraterone, PROTOPORPHYRIN IX CONTAINING FE, Steroid 17-alpha-hydroxylase/17,20 lyase
著者DeVore, N.M, Scott, E.E.
登録日2011-05-05
公開日2012-01-25
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structures of cytochrome P450 17A1 with prostate cancer drugs abiraterone and TOK-001.
Nature, 482, 2012
7REH
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BU of 7reh by Molmil
Crystal structure of T252E CYP199A4 bound to 4-methoxybenzoic acid
分子名称: 4-METHOXYBENZOIC ACID, ACETATE ION, CHLORIDE ION, ...
著者Podgorski, M.N, Bruning, J.B, Bell, S.G.
登録日2021-07-12
公開日2022-02-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.545 Å)
主引用文献An Altered Heme Environment in an Engineered Cytochrome P450 Enzyme Enables the Switch from Monooxygenase to Peroxygenase Activity
Acs Catalysis, 2022
3R9B
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Crystal structure of Mycobacterium smegmatis CYP164A2 in ligand free state
分子名称: 1,2-ETHANEDIOL, CYTOCHROME P450 164A2, DODECANE, ...
著者Agnew, C.R.J, Warrilow, A.G.S, Kelly, S.L, Brady, R.L.
登録日2011-03-25
公開日2012-04-04
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献An enlarged, adaptable active site in CYP164 family P450 enzymes, the sole P450 in Mycobacterium leprae.
Antimicrob.Agents Chemother., 56, 2012
3T3S
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BU of 3t3s by Molmil
Human Cytochrome P450 2A13 in complex with Pilocarpine
分子名称: (3S,4R)-3-ethyl-4-[(1-methyl-1H-imidazol-5-yl)methyl]dihydrofuran-2(3H)-one, Cytochrome P450 2A13, PROTOPORPHYRIN IX CONTAINING FE
著者DeVore, N.M, Scott, E.E.
登録日2011-07-25
公開日2011-12-07
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural comparison of cytochromes P450 2A6, 2A13, and 2E1 with pilocarpine.
Febs J., 279, 2012
3SWZ
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Human Cytochrome P450 17A1 in complex with TOK-001
分子名称: (3alpha,8alpha)-17-(1H-benzimidazol-1-yl)androsta-5,16-dien-3-ol, PROTOPORPHYRIN IX CONTAINING FE, Steroid 17-alpha-hydroxylase/17,20 lyase
著者DeVore, N.M, Scott, E.E.
登録日2011-07-14
公開日2012-01-25
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structures of cytochrome P450 17A1 with prostate cancer drugs abiraterone and TOK-001.
Nature, 482, 2012
3QOA
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Crystal structure of a human cytochrome P450 2B6 (Y226H/K262R) in complex with the inhibitor 4-Benzylpyridine.
分子名称: 4-benzylpyridine, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B6, ...
著者Shah, M.B, Pascual, J, Stout, C.D, Halpert, J.R.
登録日2011-02-09
公開日2011-09-14
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structures of Cytochrome P450 2B6 Bound to 4-Benzylpyridine and 4-(4-Nitrobenzyl)pyridine: Insight into Inhibitor Binding and Rearrangement of Active Site Side Chains.
Mol.Pharmacol., 80, 2011
3QZ1
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Crystal Structure of Bovine Steroid of 21-hydroxylase (P450c21)
分子名称: (9beta)-17-hydroxypregn-4-ene-3,20-dione, PROTOPORPHYRIN IX CONTAINING FE, Steroid 21-hydroxylase
著者Zhao, B, Waterman, M.R.
登録日2011-03-04
公開日2012-01-18
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystal Structure of Bovine Steroid of 21-hydroxylase (P450c21)
To be Published
3T3Z
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BU of 3t3z by Molmil
Human Cytochrome P450 2E1 in complex with pilocarpine
分子名称: (3S,4R)-3-ethyl-4-[(1-methyl-1H-imidazol-5-yl)methyl]dihydrofuran-2(3H)-one, Cytochrome P450 2E1, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Meneely, K.M, DeVore, N.M, Scott, E.E.
登録日2011-07-25
公開日2011-12-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structural comparison of cytochromes P450 2A6, 2A13, and 2E1 with pilocarpine.
Febs J., 279, 2012
3T3R
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BU of 3t3r by Molmil
Human Cytochrome P450 2A6 in complex with Pilocarpine
分子名称: (3S,4R)-3-ethyl-4-[(1-methyl-1H-imidazol-5-yl)methyl]dihydrofuran-2(3H)-one, Cytochrome P450 2A6, PROTOPORPHYRIN IX CONTAINING FE
著者DeVore, N.M, Scott, E.E.
登録日2011-07-25
公開日2011-12-07
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural comparison of cytochromes P450 2A6, 2A13, and 2E1 with pilocarpine.
Febs J., 279, 2012
3TDA
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BU of 3tda by Molmil
Competitive replacement of thioridazine by prinomastat in crystals of cytochrome P450 2D6
分子名称: Cytochrome P450 2D6, PROTOPORPHYRIN IX CONTAINING FE, Prinomastat, ...
著者Wang, A, Stout, C.D, Johnson, E.F.
登録日2011-08-10
公開日2012-08-15
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.67 Å)
主引用文献Contributions of Ionic Interactions and Protein Dynamics to Cytochrome P450 2D6 (CYP2D6) Substrate and Inhibitor Binding.
J.Biol.Chem., 290, 2015
3R1A
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BU of 3r1a by Molmil
Closed crystal structure of cytochrome P450 2B4 covalently bound to the mechanism-based inactivator tert-butylphenylacetylene
分子名称: (4-tert-butylphenyl)acetaldehyde, Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE
著者Gay, S.C, Zhang, H, Stout, C.D, Hollenberg, P.F, Halpert, J.R.
登録日2011-03-09
公開日2011-05-11
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Structural Analysis of Mammalian Cytochrome P450 2B4 Covalently Bound to the Mechanism-Based Inactivator tert-Butylphenylacetylene: Insight into Partial Enzymatic Activity.
Biochemistry, 50, 2011
3R9C
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BU of 3r9c by Molmil
Crystal structure of Mycobacterium smegmatis CYP164A2 with Econazole bound
分子名称: 1,2-ETHANEDIOL, 1-[(2R)-2-[(4-chlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole, Cytochrome P450 164A2, ...
著者Agnew, C.R.J, Kelly, S.L, Brady, R.L.
登録日2011-03-25
公開日2012-03-28
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献An enlarged, adaptable active site in CYP164 family P450 enzymes, the sole P450 in Mycobacterium leprae.
Antimicrob.Agents Chemother., 56, 2012
3T3Q
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BU of 3t3q by Molmil
Human Cytochrome P450 2A6 I208S/I300F/G301A/S369G in complex with Pilocarpine
分子名称: (3S,4R)-3-ethyl-4-[(1-methyl-1H-imidazol-5-yl)methyl]dihydrofuran-2(3H)-one, Cytochrome P450 2A6, PROTOPORPHYRIN IX CONTAINING FE
著者DeVore, N.M, Scott, E.E.
登録日2011-07-25
公開日2011-12-07
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural comparison of cytochromes P450 2A6, 2A13, and 2E1 with pilocarpine.
Febs J., 279, 2012
3QM4
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BU of 3qm4 by Molmil
Human Cytochrome P450 (CYP) 2D6 - Prinomastat Complex
分子名称: Cytochrome P450 2D6, NICKEL (II) ION, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Wang, A, Stout, C.D, Johnson, E.F.
登録日2011-02-03
公開日2012-02-15
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Crystal Structure of Human Cytochrome P450 2D6 with Prinomastat Bound.
J.Biol.Chem., 287, 2012
3TBG
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Human cytochrome P450 2D6 with two thioridazines bound in active site
分子名称: 10-{2-[(2R)-1-methylpiperidin-2-yl]ethyl}-2-(methylsulfanyl)-10H-phenothiazine, Cytochrome P450 2D6, GLYCEROL, ...
著者Wang, A, Stout, C.D, Johnson, E.F.
登録日2011-08-05
公開日2012-08-08
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Contributions of Ionic Interactions and Protein Dynamics to Cytochrome P450 2D6 (CYP2D6) Substrate and Inhibitor Binding.
J.Biol.Chem., 290, 2015
3QU8
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Crystal structure of a human cytochrome P450 2B6 (Y226H/K262R) in complex with the inhibitor 4-(4-Nitrobenzyl)pyridine.
分子名称: 4-(4-nitrobenzyl)pyridine, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B6, ...
著者Shah, M.B, Pascual, J, Stout, C.D, Halpert, J.R.
登録日2011-02-23
公開日2011-09-21
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structures of Cytochrome P450 2B6 Bound to 4-Benzylpyridine and 4-(4-Nitrobenzyl)pyridine: Insight into Inhibitor Binding and Rearrangement of Active Site Side Chains.
Mol.Pharmacol., 80, 2011
3TZO
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BU of 3tzo by Molmil
The role of I87 of CYP158A2 in oxidative coupling reaction
分子名称: PROTOPORPHYRIN IX CONTAINING FE, Putative cytochrome P450, SPERMINE
著者Zhao, B, Waterman, M.R.
登録日2011-09-27
公開日2012-01-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献The role of Ile87 of CYP158A2 in oxidative coupling reaction.
Arch.Biochem.Biophys., 518, 2012
3UA1
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Crystal structure of the cytochrome P4503A4-bromoergocryptine complex
分子名称: Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, bromoergocryptine
著者Sevrioukova, I.F, Poulos, T.L.
登録日2011-10-20
公開日2011-12-14
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structural and Mechanistic Insights into the Interaction of Cytochrome P4503A4 with Bromoergocryptine, a Type I Ligand.
J.Biol.Chem., 287, 2012
3UAS
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Cytochrome P450 2B4 covalently bound to the mechanism-based inactivator 9-ethynylphenanthrene
分子名称: 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Gay, S.C, Zhang, H, Shah, M.B, Stout, C.D, Halpert, J.R, Hollenberg, P.F.
登録日2011-10-21
公開日2013-01-09
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.939 Å)
主引用文献Potent Mechanism-Based Inactivation of Cytochrome P450 2B4 by 9-Ethynylphenanthrene: Implications for Allosteric Modulation of Cytochrome P450 Catalysis.
Biochemistry, 52, 2013
3TIK
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BU of 3tik by Molmil
Sterol 14-alpha demethylase (CYP51) from Trypanosoma brucei in complex with the tipifarnib derivative 6-((4-chlorophenyl)(methoxy)(1-methyl-1H-imidazol-5-yl)methyl)-4-(2,6-difluorophenyl)-1-methylquinolin-2(1H)-one
分子名称: 6-[(R)-(4-chlorophenyl)(methoxy)(1-methyl-1H-imidazol-5-yl)methyl]-4-(2,6-difluorophenyl)-1-methylquinolin-2(1H)-one, PROTOPORPHYRIN IX CONTAINING FE, sterol 14-alpha demethylase (CYP51)
著者Hargrove, T.Y, Wawrzak, Z, Kraus, J.M, Gelb, M.H, Buckner, F.S, Waterman, M.R, Lepesheva, G.I.
登録日2011-08-20
公開日2012-07-11
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Pharmacological characterization, structural studies, and in vivo activities of anti-chagas disease lead compounds derived from tipifarnib.
Antimicrob.Agents Chemother., 56, 2012
8FIC
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Crystal Structure of Erwinia tracheiphila CYP114 in complex with ent-kaurenoic acid (Crystal Form 1)
分子名称: (8alpha,9beta,10alpha,13alpha)-kaur-16-en-18-oic acid, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE
著者Stewart Jr, C.E, Nagel, R.
登録日2022-12-16
公開日2023-07-05
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Dual factors required for cytochrome-P450-mediated hydrocarbon ring contraction in bacterial gibberellin phytohormone biosynthesis.
Proc.Natl.Acad.Sci.USA, 120, 2023
8FID
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Crystal Structure of Erwinia tracheiphila CYP114 in complex with ent-kaurenoic acid (Crystal Form 2)
分子名称: (8alpha,9beta,10alpha,13alpha)-kaur-16-en-18-oic acid, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE
著者Stewart Jr, C.E, Nagel, R.
登録日2022-12-16
公開日2023-07-05
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Dual factors required for cytochrome-P450-mediated hydrocarbon ring contraction in bacterial gibberellin phytohormone biosynthesis.
Proc.Natl.Acad.Sci.USA, 120, 2023

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