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PDB: 1371 件
7Q89
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OleP mutant G92W in complex with 6DEB
分子名称: 6-DEOXYERYTHRONOLIDE B, Cytochrome P-450, FORMIC ACID, ...
著者Savino, C, Montemiglio, L.C, Vallone, B, Exertier, C, Freda, I, Gugole, E.
登録日2021-11-10
公開日2022-01-26
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Point Mutations at a Key Site Alter the Cytochrome P450 OleP Structural Dynamics.
Biomolecules, 12, 2021
7Q6X
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OleP mutant S240Y in complex with 6DEB
分子名称: 6-DEOXYERYTHRONOLIDE B, Cytochrome P-450, FORMIC ACID, ...
著者Savino, C, Montemiglio, L.C, Vallone, B, Exertier, C, Freda, I, Gugole, E.
登録日2021-11-09
公開日2022-01-26
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Point Mutations at a Key Site Alter the Cytochrome P450 OleP Structural Dynamics.
Biomolecules, 12, 2021
7Q9E
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CYP106A1
分子名称: COBALT (II) ION, Cytochrome P450, DI(HYDROXYETHYL)ETHER, ...
著者Carius, Y, Hutter, M, Kiss, F, Bernhardt, R, Lancaster, C.R.D.
登録日2021-11-12
公開日2022-10-19
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural comparison of the cytochrome P450 enzymes CYP106A1 and CYP106A2 provides insight into their differences in steroid conversion.
Febs Lett., 596, 2022
7QAN
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Cytochrome P450 Enzyme AbyV
分子名称: 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, CHLORIDE ION, Cytochrome P450, ...
著者Parnell, A.E, Back, C.R, Race, P.R.
登録日2021-11-17
公開日2022-11-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献The Role of Cytochrome P450 AbyV in the Final Stages of Abyssomicin C Biosynthesis.
Angew.Chem.Int.Ed.Engl., 62, 2023
7QKE
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Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with inhibitor (surface entropy reduction mutant)
分子名称: PROTOPORPHYRIN IX CONTAINING FE, Steroid C26-monooxygenase, ethyl 1-(cyclohexylmethyl)-5-pyridin-4-yl-indole-2-carboxylate
著者Snee, M, Tunnicliffe, R, Leys, D, Levy, C, Katariya, M.
登録日2021-12-17
公開日2022-12-28
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure Based Discovery of Inhibitors of CYP125 and CYP142 from Mycobacterium tuberculosis.
Chemistry, 29, 2023
7QNN
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Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with inhibitor (surface entropy reduction mutant)
分子名称: PROTOPORPHYRIN IX CONTAINING FE, Steroid C26-monooxygenase, ethyl 1-(cyclopentylmethyl)-5-pyridin-4-yl-indole-2-carboxylate
著者Snee, M, Tunnicliffe, R, Leys, D, Levy, C, Katariya, M.
登録日2021-12-21
公開日2022-12-28
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.47 Å)
主引用文献Structure Based Discovery of Inhibitors of CYP125 and CYP142 from Mycobacterium tuberculosis.
Chemistry, 29, 2023
7QQ7
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Crystal structure of CYP142 from Mycobacterium tuberculosis in complex with an inhibitor at partial occupancy with PEG
分子名称: ACETATE ION, BROMIDE ION, CHLORIDE ION, ...
著者Snee, M, Levy, C, Kavanagh, M.
登録日2022-01-06
公開日2023-01-18
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structure of CYP142 from Mycobacterium tuberculosis in complex with an inhibitor at partial occupancy with PEG
To Be Published
7QJL
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Crystal structure of CYP142 from Mycobacterium tuberculosis in complex with an inhibitor
分子名称: ACETATE ION, BROMIDE ION, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Snee, M, Levy, C, Katariya, M.
登録日2021-12-16
公開日2022-12-28
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Structure Based Discovery of Inhibitors of CYP125 and CYP142 from Mycobacterium tuberculosis.
Chemistry, 29, 2023
7QWN
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Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with an inhibitor
分子名称: CHLORIDE ION, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, ...
著者Snee, M, Katariya, M, Levy, C, Leys, D.
登録日2022-01-25
公開日2023-02-01
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Structure Based Discovery of Inhibitors of CYP125 and CYP142 from Mycobacterium tuberculosis.
Chemistry, 29, 2023
3R1B
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Open crystal structure of cytochrome P450 2B4 covalently bound to the mechanism-based inactivator tert-butylphenylacetylene
分子名称: (4-tert-butylphenyl)acetaldehyde, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B4, ...
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 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
7RTQ
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Sterol 14alpha demethylase (CYP51) from Naegleria fowleri in complex with an inhibitor R)-N-(1-(3,4'-difluorobiphenyl-4-yl)-2-(1H-imidazol-1-yl)ethyl)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
分子名称: N-[(1R)-2-(1H-imidazol-1-yl)-1-(3,4',5-trifluoro[1,1'-biphenyl]-4-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide, PROTOPORPHYRIN IX CONTAINING FE, Protein CYP51
著者Lepesheva, G.I, Hargrove, T.Y, Wawrzak, Z.
登録日2021-08-13
公開日2021-11-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Relaxed Substrate Requirements of Sterol 14 alpha-Demethylase from Naegleria fowleri Are Accompanied by Resistance to Inhibition.
J.Med.Chem., 64, 2021
3SN5
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Crystal structure of human CYP7A1 in complex with cholest-4-en-3-one
分子名称: (8ALPHA,9BETA)-CHOLEST-4-EN-3-ONE, Cholesterol 7-alpha-monooxygenase, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Strushkevich, N, Tempel, W, MacKenzie, F, Wernimont, A.K, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Park, H, Structural Genomics Consortium (SGC)
登録日2011-06-28
公開日2011-07-13
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Crystal structure of human CYP7A1 in complex with cholest-4-en-3-one
To be Published
7RKT
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Naegleria fowleri CYP51 (NfCYP51) complex with (S)-1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethyl 3-(trifluoromethyl)benzoate
分子名称: (1S)-1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethyl 3-(trifluoromethyl)benzoate, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Sharma, V, Podust, L.M.
登録日2021-07-22
公開日2022-07-27
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Miconazole-like Scaffold is a Promising Lead for Naegleria fowleri -Specific CYP51 Inhibitors.
J.Med.Chem., 2023
7RKW
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Naegleria fowleri CYP51(NfCYP51) complex with (S)-1-(4-fluorophenyl)-2-(1H-imidazol-1-yl)ethyl 3,5-dichlorobenzoate
分子名称: (1S)-1-(4-fluorophenyl)-2-(1H-imidazol-1-yl)ethyl 3,5-dichlorobenzoate, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Sharma, V, Podust, L.M.
登録日2021-07-22
公開日2022-07-27
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Miconazole-like Scaffold is a Promising Lead for Naegleria fowleri -Specific CYP51 Inhibitors.
J.Med.Chem., 2023
7RKR
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Naegleria fowleri CYP51 (NfCYP51) complex with (S)-1-(4-fluorophenyl)-2-(1H-imidazol-1-yl)ethyl 3-(trifluoromethyl)benzoate
分子名称: (1S)-1-(4-fluorophenyl)-2-(1H-imidazol-1-yl)ethyl 3-(trifluoromethyl)benzoate, CALCIUM ION, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Sharma, V, Podust, L.M.
登録日2021-07-22
公開日2022-07-27
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Miconazole-like Scaffold is a Promising Lead for Naegleria fowleri -Specific CYP51 Inhibitors.
J.Med.Chem., 2023
3S79
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Human placental aromatase cytochrome P450 (CYP19A1) refined at 2.75 angstrom
分子名称: 4-ANDROSTENE-3-17-DIONE, Cytochrome P450 19A1, PHOSPHATE ION, ...
著者Ghosh, D.
登録日2011-05-26
公開日2012-06-06
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Novel aromatase inhibitors by structure-guided design.
J.Med.Chem., 55, 2012
3S7S
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Crystal structure of human placental aromatase complexed with breast cancer drug exemestane
分子名称: (8alpha,10alpha,13alpha)-6-methylideneandrosta-1,4-diene-3,17-dione, Cytochrome P450 19A1, PROTOPORPHYRIN IX CONTAINING FE
著者Ghosh, D.
登録日2011-05-26
公開日2012-06-06
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.21 Å)
主引用文献Novel aromatase inhibitors by structure-guided design.
J.Med.Chem., 55, 2012
7R8T
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High-resolution crystal structure of CYP199A4 bound to 4-ethylbenzoic acid
分子名称: 4-ethylbenzoic acid, CHLORIDE ION, Cytochrome P450, ...
著者Podgorski, M.N, Bell, S.G.
登録日2021-06-27
公開日2022-06-29
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.366 Å)
主引用文献High-resolution crystal structure of CYP199A4 bound to 4-ethylbenzoic acid
To Be Published
7R8S
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The crystal structure of 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2021-06-27
公開日2022-06-29
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.366 Å)
主引用文献Exploring the Factors which Result in Cytochrome P450 Catalyzed Desaturation Versus Hydroxylation.
Chem Asian J, 17, 2022
7RL2
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Crystal Structure of the Human Cytochrome P450 2C9*8 (CYP2C9*8) Genetic Variant in Complex with the Drug Losartan
分子名称: Cytochrome P450 2C9, PHOSPHATE ION, POTASSIUM ION, ...
著者Shah, M.B.
登録日2021-07-23
公開日2021-10-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Insights into the Genetic Variations of Human Cytochrome P450 2C9: Structural Analysis, Characterization and Comparison.
Int J Mol Sci, 22, 2021
7R1I
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Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with an inhibitor
分子名称: CHLORIDE ION, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, ...
著者Snee, M, Katariya, M, Levy, C, Leys, D.
登録日2022-02-03
公開日2023-02-15
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Structure Based Discovery of Inhibitors of CYP125 and CYP142 from Mycobacterium tuberculosis.
Chemistry, 29, 2023
7R3U
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Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with an inhibitor
分子名称: 1-[4-(1,2,3-thiadiazol-4-yl)phenyl]methanamine, CHLORIDE ION, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Snee, M, Katariya, M, Leys, D, Levy, C.
登録日2022-02-07
公開日2023-02-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Structure Based Discovery of Inhibitors of CYP125 and CYP142 from Mycobacterium tuberculosis.
Chemistry, 29, 2023
3RWL
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Structure of P450pyr hydroxylase
分子名称: Cytochrome P450 alkane hydroxylase 1 CYP153A7, PROTOPORPHYRIN IX CONTAINING FE
著者Pompidor, G.
登録日2011-05-09
公開日2012-04-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Evolving P450pyr hydroxylase for highly enantioselective hydroxylation at non-activated carbon atom.
Chem.Commun.(Camb.), 48, 2012
7RYB
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S. CEREVISIAE CYP51 Y140H/I471T - double mutant COMPLEXED WITH Voriconazole
分子名称: Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE, Voriconazole
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 (2.9 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
7RY9
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S. CEREVISIAE CYP51 I471T mutant COMPLEXED WITH Voriconazole
分子名称: Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE, TETRAETHYLENE GLYCOL, ...
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 (2.4 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

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件を2024-06-12に公開中

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