7RKR
 
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7RKW
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7R3U
 | | 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
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7RYA
 | | 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
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7RYX
 | | 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
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7RY9
 | | 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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7RY8
 | | 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
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7RYB
 | | 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
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7SHI
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7SH5
 | | Crystal structure of CYP142A3 from Mycobacterium ulcerans bound to Cholest-4-en-3-one | | 分子名称: | (8ALPHA,9BETA)-CHOLEST-4-EN-3-ONE, ACETATE ION, Cytochrome P450 142A3, ... | | 著者 | Doherty, D.Z, Bell, S.G, Bruning, J. | | 登録日 | 2021-10-08 | | 公開日 | 2022-10-05 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | | 主引用文献 | The Structures of the Steroid Binding CYP142 Cytochrome P450 Enzymes from Mycobacterium ulcerans and Mycobacterium marinum.
Acs Infect Dis., 8, 2022
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7SMZ
 | | X-ray crystal structure of CYP142A3 from Mycobacterium Marinum in complex with 4-cholesten-3-one | | 分子名称: | (8ALPHA,9BETA)-CHOLEST-4-EN-3-ONE, ACETATE ION, Cytochrome P450 142A3, ... | | 著者 | Ghith, A, Bruning, J.B, Bell, S.G. | | 登録日 | 2021-10-27 | | 公開日 | 2022-09-14 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.04 Å) | | 主引用文献 | The Structures of the Steroid Binding CYP142 Cytochrome P450 Enzymes from Mycobacterium ulcerans and Mycobacterium marinum.
Acs Infect Dis., 8, 2022
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7REH
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7Q9E
 | | 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
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7RTQ
 | | 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
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7SV2
 | | Human Cytochrome P450 (CYP) 3A5 ternary complex with azamulin | | 分子名称: | (3aS,4R,5S,6R,8R,9R,9aR,10R)-6-ethyl-5-hydroxy-4,6,9,10-tetramethyl-1-oxodecahydro-3a,9-propanocyclopenta[8]annulen-8-yl [(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetate, Cytochrome P450 3A5, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Hsu, M, Johnson, E.F. | | 登録日 | 2021-11-18 | | 公開日 | 2022-05-18 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.46 Å) | | 主引用文献 | Structural characterization of the homotropic cooperative binding of azamulin to human cytochrome P450 3A5.
J.Biol.Chem., 298, 2022
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7S3T
 | | NzeB Diketopiperazine Dimerase Mutant: Q68I-G87A-A89G-I90V | | 分子名称: | (3S,8aS)-3-(1H-indol-3-ylmethyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione, 1,2-ETHANEDIOL, MAGNESIUM ION, ... | | 著者 | Harris, N.R, Shende, V.V, Sanders, J.N, Newmister, S.A, Khatri, Y, Movassaghi, M, Houk, K.N, Sherman, D.H. | | 登録日 | 2021-09-08 | | 公開日 | 2022-10-05 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Molecular Dynamics Simulations Guide Chimeragenesis and Engineered Control of Chemoselectivity in Diketopiperazine Dimerases.
Angew.Chem.Int.Ed.Engl., 2023
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7R1I
 | | 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
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8FDA
 | | Human Cytochrome P450 17A1 in complex with steroidal isonitrile inhibitor | | 分子名称: | PROTOPORPHYRIN IX CONTAINING FE, Steroid 17-alpha-hydroxylase/17,20 lyase, [(1~{R})-1-[(3~{S},5~{S},8~{R},9~{S},10~{S},13~{S},17~{R})-3-methanoyloxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,13,14,15,16,17-hexadecahydrocyclopenta[a]phenanthren-17-yl]ethyl]-methylidyne-azanium | | 著者 | Richard, A.M, Scott, E.E. | | 登録日 | 2022-12-02 | | 公開日 | 2023-08-23 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Selective steroidogenic cytochrome P450 haem iron ligation by steroid-derived isonitriles.
Commun Chem, 6, 2023
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6CPP
 | | CRYSTAL STRUCTURES OF CYTOCHROME P450-CAM COMPLEXED WITH CAMPHANE, THIOCAMPHOR, AND ADAMANTANE: FACTORS CONTROLLING P450 SUBSTRATE HYDROXYLATION | | 分子名称: | CAMPHANE, CYTOCHROME P450-CAM, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Raag, R, Poulos, T.L. | | 登録日 | 1990-05-18 | | 公開日 | 1991-07-15 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Crystal structures of cytochrome P-450CAM complexed with camphane, thiocamphor, and adamantane: factors controlling P-450 substrate hydroxylation.
Biochemistry, 30, 1991
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8FZ8
 | | Structure of cytochrome P450sky2 | | 分子名称: | Cytochrome P450, OCTANOIC ACID (CAPRYLIC ACID), PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Murarka, V.C, Poulos, T.L. | | 登録日 | 2023-01-27 | | 公開日 | 2024-02-07 | | 最終更新日 | 2024-04-10 | | 実験手法 | X-RAY DIFFRACTION (1.43 Å) | | 主引用文献 | Biosynthesis of a new skyllamycin in Streptomyces nodosus : a cytochrome P450 forms an epoxide in the cinnamoyl chain.
Org.Biomol.Chem., 22, 2024
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6CR2
 | | Crystal structure of sterol 14-alpha demethylase (CYP51B) from Aspergillus fumigatus in complex with the VNI derivative N-(1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethyl)-4-(5-(2-fluoro-4-(2,2,2-trifluoroethoxy)phenyl)-1,3,4-oxadiazol-2-yl)benzamide | | 分子名称: | 14-alpha sterol demethylase Cyp51B, N-[(1R)-1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethyl]-4-{5-[2-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]-1,3,4-oxadiazol-2-yl}benzamide, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Friggeri, L, Hargrove, T.Y, Wawrzak, Z, Lepesheva, G.I. | | 登録日 | 2018-03-16 | | 公開日 | 2018-06-27 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.38 Å) | | 主引用文献 | Sterol 14 alpha-Demethylase Structure-Based Design of VNI (( R)- N-(1-(2,4-Dichlorophenyl)-2-(1 H-imidazol-1-yl)ethyl)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide)) Derivatives To Target Fungal Infections: Synthesis, Biological Evaluation, and Crystallographic Analysis.
J. Med. Chem., 61, 2018
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6CSB
 | | V308E mutant of cytochrome P450 2D6 complexed with thioridazine | | 分子名称: | 10-{2-[(2R)-1-methylpiperidin-2-yl]ethyl}-2-(methylsulfanyl)-10H-phenothiazine, ACETATE ION, Cytochrome P450 2D6, ... | | 著者 | Yang, Y.T, Fujita, K, Wang, P.F, Im, S.C, Pearl, N.M, Meagher, J, Stuckey, J, Waskell, L. | | 登録日 | 2018-03-20 | | 公開日 | 2019-03-27 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.394 Å) | | 主引用文献 | Characteristic conformational changes on the distal and proximal surfaces of cytochrome P450 2D6 in response to substrate binding
To Be Published
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6CVC
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6DAA
 | | Human CYP3A4 bound to an inhibitor | | 分子名称: | Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl [(2S)-1-{[(2R)-1-oxo-3-phenyl-1-{[(pyridin-3-yl)methyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate | | 著者 | Sevrioukova, I.F. | | 登録日 | 2018-05-01 | | 公開日 | 2019-04-03 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Structure-Activity Relationships of Rationally Designed Ritonavir Analogues: Impact of Side-Group Stereochemistry, Headgroup Spacing, and Backbone Composition on the Interaction with CYP3A4.
Biochemistry, 58, 2019
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6DAJ
 | | Human CYP3A4 bound to an inhibitor | | 分子名称: | Cytochrome P450 3A4, GLUTAMINE, GLYCEROL, ... | | 著者 | Sevrioukova, I.F. | | 登録日 | 2018-05-01 | | 公開日 | 2019-04-03 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | | 主引用文献 | Structure-Activity Relationships of Rationally Designed Ritonavir Analogues: Impact of Side-Group Stereochemistry, Headgroup Spacing, and Backbone Composition on the Interaction with CYP3A4.
Biochemistry, 58, 2019
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