7LES
 
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2IJ7
 | | Structure of Mycobacterium tuberculosis CYP121 in complex with the antifungal drug fluconazole | | 分子名称: | 2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL, Cytochrome P450 121, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Roujeinikova, A, Leys, D. | | 登録日 | 2006-09-29 | | 公開日 | 2006-11-07 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Crystal structure of the Mycobacterium tuberculosis P450 CYP121-fluconazole complex reveals new azole drug-P450 binding mode.
J.Biol.Chem., 281, 2006
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7N14
 | | Crystal structure of 4-(1H-1,2,4-triazol-1-yl)benzoic acid-bound CYP199A4 | | 分子名称: | 4-(1H-1,2,4-triazol-1-yl)benzoic acid, CHLORIDE ION, Cytochrome P450, ... | | 著者 | Podgorski, M.N, Bruning, J.B, Bell, S.G. | | 登録日 | 2021-05-26 | | 公開日 | 2022-02-02 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.537 Å) | | 主引用文献 | To Be, or Not to Be, an Inhibitor: A Comparison of Azole Interactions with and Oxidation by a Cytochrome P450 Enzyme.
Inorg.Chem., 61, 2022
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7NQM
 | | Mycobacterium tuberculosis Cytochrome P450 CYP121 in complex with lead compound 10 | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-(2-pyrimidin-4-ylethyl)-1~{H}-indole, CHLORIDE ION, ... | | 著者 | Selvam, I.R. | | 登録日 | 2021-03-01 | | 公開日 | 2022-02-02 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | A new strategy for hit generation: Novel in cellulo active inhibitors of CYP121A1 from Mycobacterium tuberculosis via a combined X-ray crystallographic and phenotypic screening approach (XP screen).
Eur.J.Med.Chem., 230, 2022
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7NQO
 | | Mycobacterium tuberculosis Cytochrome P450 CYP121 in complex with lead compound 21 | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-[4-[2-(5-bromanyl-1~{H}-indol-3-yl)ethyl]pyrimidin-2-yl]morpholine, CHLORIDE ION, ... | | 著者 | Selvam, I.R. | | 登録日 | 2021-03-01 | | 公開日 | 2022-02-02 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | A new strategy for hit generation: Novel in cellulo active inhibitors of CYP121A1 from Mycobacterium tuberculosis via a combined X-ray crystallographic and phenotypic screening approach (XP screen).
Eur.J.Med.Chem., 230, 2022
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2LQD
 | | 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
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7NQN
 | | Mycobacterium tuberculosis Cytochrome P450 CYP121 in complex with lead compound 14 | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-[4-[2-(1~{H}-indol-3-yl)ethyl]pyrimidin-2-yl]morpholine, CHLORIDE ION, ... | | 著者 | Selvam, I.R. | | 登録日 | 2021-03-01 | | 公開日 | 2022-02-02 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | A new strategy for hit generation: Novel in cellulo active inhibitors of CYP121A1 from Mycobacterium tuberculosis via a combined X-ray crystallographic and phenotypic screening approach (XP screen).
Eur.J.Med.Chem., 230, 2022
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7N3L
 | | Co-complex CYP46A1 with 0420 (compound 6) | | 分子名称: | 1,2-ETHANEDIOL, Cholesterol 24-hydroxylase, GLYCEROL, ... | | 著者 | Lane, W, Yano, J. | | 登録日 | 2021-06-01 | | 公開日 | 2022-02-23 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.631 Å) | | 主引用文献 | Discovery of Novel 3-Piperidinyl Pyridine Derivatives as Highly Potent and Selective Cholesterol 24-Hydroxylase (CH24H) Inhibitors.
J.Med.Chem., 65, 2022
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7N3M
 | | Co-complex CYP46A1 with 0431 (compound 17) | | 分子名称: | Cholesterol 24-hydroxylase, N,N-dimethyl-1-[4-(4-methyl-1H-pyrazol-1-yl)pyridin-3-yl]piperidine-4-carboxamide, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Lane, W, Yano, J. | | 登録日 | 2021-06-01 | | 公開日 | 2022-02-23 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.698 Å) | | 主引用文献 | Discovery of Novel 3-Piperidinyl Pyridine Derivatives as Highly Potent and Selective Cholesterol 24-Hydroxylase (CH24H) Inhibitors.
J.Med.Chem., 65, 2022
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1ZO4
 | | Crystal Structure Of A328S Mutant Of The Heme Domain Of P450BM-3 | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Bifunctional P-450:NADPH-P450 reductase, GLYCEROL, ... | | 著者 | Hegda, A, Chen, B, Haines, D.C, Bondlela, M, Mullin, D, Graham, S.E, Tomchick, D.R, Machius, M, Peterson, J.A. | | 登録日 | 2005-05-12 | | 公開日 | 2006-08-01 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (1.46 Å) | | 主引用文献 | A single active-site mutation of P450BM-3 dramatically enhances substrate binding and rate of product formation.
Biochemistry, 50, 2011
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7MK8
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7N60
 | | The crystal structure of 4-methoxybenzoate-bound CYP199A S244D mutant | | 分子名称: | 4-METHOXYBENZOIC ACID, CHLORIDE ION, Cytochrome P450, ... | | 著者 | Lau, I.C.K, Coleman, T, Bell, S.G, Bruning, J.B. | | 登録日 | 2021-06-07 | | 公開日 | 2022-06-15 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.892 Å) | | 主引用文献 | The crystal structure of 4-methoxybenzoate-bound CYP199A S244D mutant
To Be Published
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7N6F
 | | Co-complex CYP46A1 with compound 3f | | 分子名称: | (3-fluoroazetidin-1-yl){1-[4-(4-fluorophenyl)pyrimidin-5-yl]piperidin-4-yl}methanone, 1,2-ETHANEDIOL, Cholesterol 24-hydroxylase, ... | | 著者 | Lane, W, Gay, S.C. | | 登録日 | 2021-06-08 | | 公開日 | 2022-07-27 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Design and synthesis of aryl-piperidine derivatives as potent and selective PET tracers for cholesterol 24-hydroxylase (CH24H)
Eur.J.Med.Chem., 240, 2022
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7M8V
 | | Human CYP11B2 in complex with LCI699 | | 分子名称: | 4-[(4R,5R)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-5-yl]-3-fluorobenzonitrile, Cytochrome P450 11B2, mitochondrial, ... | | 著者 | Scott, E.E, Brixius-Anderko, S. | | 登録日 | 2021-03-30 | | 公開日 | 2021-06-16 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (3.08 Å) | | 主引用文献 | Aldosterone Synthase Structure With Cushing Disease Drug LCI699 Highlights Avenues for Selective CYP11B Drug Design.
Hypertension, 78, 2021
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2IAG
 | | Crystal structure of human prostacyclin synthase | | 分子名称: | PROTOPORPHYRIN IX CONTAINING FE, Prostacyclin synthase, SODIUM ION | | 著者 | Chiang, C.-W, Yeh, H.-C, Wang, L.-H, Chan, N.-L. | | 登録日 | 2006-09-08 | | 公開日 | 2006-10-10 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Crystal Structure of the Human Prostacyclin Synthase
J.Mol.Biol., 364, 2006
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2JJN
 | | Structure of closed cytochrome P450 EryK | | 分子名称: | CYTOCHROME P450 113A1, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | | 著者 | Savino, C, Sciara, G, Miele, A.E, Kendrew, S.G, Vallone, B. | | 登録日 | 2008-04-15 | | 公開日 | 2009-07-14 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | | 主引用文献 | Investigating the Structural Plasticity of a Cytochrome P450: Three-Dimensional Structures of P450 Eryk and Binding to its Physiological Substrate.
J.Biol.Chem., 284, 2009
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2JJO
 | | Structure of cytochrome P450 EryK in complex with its natural substrate erD | | 分子名称: | CYTOCHROME P450 113A1, Erythromycin D, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Savino, C, Sciara, G, Miele, A.E, Kendrew, S.G, Vallone, B. | | 登録日 | 2008-04-15 | | 公開日 | 2009-07-14 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | | 主引用文献 | Investigating the Structural Plasticity of a Cytochrome P450: Three-Dimensional Structures of P450 Eryk and Binding to its Physiological Substrate.
J.Biol.Chem., 284, 2009
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1Z8Q
 | | Ferrous dioxygen complex of the A245T cytochrome P450eryF | | 分子名称: | 6-DEOXYERYTHRONOLIDE B, 6-deoxyerythronolide B hydroxylase, OXYGEN MOLECULE, ... | | 著者 | Nagano, S, Cupp-Vickery, J.R, Poulos, T.L. | | 登録日 | 2005-03-31 | | 公開日 | 2005-04-12 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Crystal structures of the ferrous dioxygen complex of wild-type cytochrome P450eryF and its mutants, A245S and A245T: investigation of the proton transfer system in P450eryF.
J.Biol.Chem., 280, 2005
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2JJP
 | | Structure of cytochrome P450 EryK in complex with inhibitor ketoconazole (KC) | | 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 113A1, PROTOPORPHYRIN IX CONTAINING FE, ... | | 著者 | Savino, C, Sciara, G, Miele, A.E, Kendrew, S.G, Vallone, B. | | 登録日 | 2008-04-15 | | 公開日 | 2009-07-14 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Azole Drugs Trap Cytochrome P450 Eryk in Alternative Conformational States.
Biochemistry, 49, 2010
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1Z8O
 | | Ferrous dioxygen complex of the wild-type cytochrome P450eryF | | 分子名称: | 6-DEOXYERYTHRONOLIDE B, 6-deoxyerythronolide B hydroxylase, OXYGEN MOLECULE, ... | | 著者 | Nagano, S, Cupp-Vickery, J.R, Poulos, T.L. | | 登録日 | 2005-03-31 | | 公開日 | 2005-04-12 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Crystal structures of the ferrous dioxygen complex of wild-type cytochrome P450eryF and its mutants, A245S and A245T: investigation of the proton transfer system in P450eryF.
J.Biol.Chem., 280, 2005
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1Z11
 | | Crystal Structure of Human Microsomal P450 2A6 with Methoxsalen Bound | | 分子名称: | METHOXSALEN, PROTOPORPHYRIN IX CONTAINING FE, cytochrome P450, ... | | 著者 | Yano, J.K, Hsu, M.H, Griffin, K.J, Stout, C.D, Johnson, E.F. | | 登録日 | 2005-03-02 | | 公開日 | 2005-08-16 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Structures of human microsomal cytochrome P450 2A6 complexed with coumarin and methoxsalen
Nat.Struct.Mol.Biol., 12, 2005
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1ZO9
 | | Crystal Structure Of The Wild Type Heme Domain Of P450BM-3 with N-palmitoylmethionine | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Bifunctional P-450:NADPH-P450 reductase, GLYCEROL, ... | | 著者 | Hegda, A, Chen, B, Tomchick, D.R, Bondlela, M, Haines, D.C, Schaffer, N, Machius, M, Graham, S.E, Peterson, J.A. | | 登録日 | 2005-05-12 | | 公開日 | 2006-08-01 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Interactions of substrates at the surface of P450s can greatly enhance substrate potency.
Biochemistry, 46, 2007
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1Z8P
 | | Ferrous dioxygen complex of the A245S cytochrome P450eryF | | 分子名称: | 6-DEOXYERYTHRONOLIDE B, 6-deoxyerythronolide B hydroxylase, OXYGEN MOLECULE, ... | | 著者 | Poulos, T.L, Nagano, S. | | 登録日 | 2005-03-31 | | 公開日 | 2005-04-12 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Crystal structures of the ferrous dioxygen complex of wild-type cytochrome P450eryF and its mutants, A245S and A245T: investigation of the proton transfer system in P450eryF.
J.Biol.Chem., 280, 2005
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1ZOA
 | | Crystal Structure Of A328V Mutant Of The Heme Domain Of P450Bm-3 With N-Palmitoylglycine | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Bifunctional P-450:NADPH-P450 reductase, GLYCEROL, ... | | 著者 | Hegda, A, Chen, B, Haines, D.C, Bondlela, M, Mullin, D, Graham, S.E, Tomchick, D.R, Machius, M, Peterson, J.A. | | 登録日 | 2005-05-12 | | 公開日 | 2006-08-01 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | | 主引用文献 | A single active-site mutation of P450BM-3 dramatically enhances substrate binding and rate of product formation.
Biochemistry, 50, 2011
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2A1O
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