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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
7WDI
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Crystal structure of the P450 BM3 heme domain mutant F87K in complex with N-imidazolyl-hexanoyl-L-phenylalanine and hydroxylamine
分子名称: (2S)-2-(6-imidazol-1-ylhexanoylamino)-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, HYDROXYAMINE, ...
著者Jiang, Y, Dong, S, Feng, Y, Cong, Z.
登録日2021-12-21
公開日2022-12-28
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of the P450 BM3 heme domain mutant F87A in complex with N-imidazolyl-hexanoyl-L-phenylalanine and hydroxylamine
To Be Published
7WDH
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Crystal structure of the P450 BM3 heme domain mutant F87A in complex with N-imidazolyl-hexanoyl-L-phenylalanine, phenol and hydroxylamine
分子名称: (2S)-2-(6-imidazol-1-ylhexanoylamino)-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, HYDROXYAMINE, ...
著者Jiang, Y, Dong, S, Feng, Y, Cong, Z.
登録日2021-12-21
公開日2022-12-28
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Engineering Cytochrome P450BM3 Enzymes for Direct Nitration of Unsaturated Hydrocarbons.
Angew.Chem.Int.Ed.Engl., 62, 2023
7WDE
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Crystal structure of the P450 BM3 heme domain mutant F87L in complex with N-imidazolyl-hexanoyl-L-phenylalanine, styrene and hydroxylamine
分子名称: (2S)-2-(6-imidazol-1-ylhexanoylamino)-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, GLYCEROL, ...
著者Jiang, Y, Dong, S, Feng, Y, Cong, Z.
登録日2021-12-21
公開日2022-12-28
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Crystal structure of the P450 BM3 heme domain mutant F87A in complex with N-imidazolyl-hexanoyl-L-phenylalanine and hydroxylamine
To Be Published
7WDG
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Crystal structure of the P450 BM3 heme domain mutant F87L in complex with N-imidazolyl-hexanoyl-L-phenylalanine, phenol and hydroxylamine
分子名称: (2S)-2-(6-imidazol-1-ylhexanoylamino)-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, HYDROXYAMINE, ...
著者Jiang, Y, Dong, S, Feng, Y, Cong, Z.
登録日2021-12-21
公開日2022-12-28
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Engineering Cytochrome P450BM3 Enzymes for Direct Nitration of Unsaturated Hydrocarbons.
Angew.Chem.Int.Ed.Engl., 62, 2023
7WDD
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Crystal structure of the P450 BM3 heme domain mutant F87K in complex with N-imidazolyl-hexanoyl-L-phenylalanine, styrene and hydroxylamine
分子名称: (2S)-2-(6-imidazol-1-ylhexanoylamino)-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, HYDROXYAMINE, ...
著者Jiang, Y, Dong, S, Feng, Y, Cong, Z.
登録日2021-12-21
公開日2022-12-28
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Crystal structure of the P450 BM3 heme domain mutant F87A in complex with N-imidazolyl-hexanoyl-L-phenylalanine and hydroxylamine
To Be Published
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
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
7W97
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Crystal Structure of the CYP102A1 (P450BM3) Heme Domain with N-Hexadecanoyl-L-Homoserine
分子名称: (2~{S})-2-(hexadecanoylamino)-4-oxidanyl-butanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, GLYCEROL, ...
著者Karasawa, M, Stanfield, J.K, Kasai, C, Sugimoto, H, Shoji, O.
登録日2021-12-09
公開日2022-12-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Crystal Structure of the CYP102A1 (P450BM3) Heme Domain with N-Hexadecanoyl-L-Homoserine
To Be Published
7W9D
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Crystal Structure of the Oxomolybdenum Mesoporphyrin IX-Reconstituted CYP102A1 (P450BM3) Heme Domain with N-Hexadecanoyl-L-Homoserine
分子名称: (2~{S})-2-(hexadecanoylamino)-4-oxidanyl-butanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, GLYCEROL, ...
著者Karasawa, M, Stanfield, J.K, Kasai, C, Sugimoto, H, Shoji, O.
登録日2021-12-09
公開日2022-12-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Crystal Structure of the Oxomolybdenum Mesoporphyrin IX-Reconstituted CYP102A1 (P450BM3) Heme Domain with N-Hexadecanoyl-L-Homoserine
To Be Published
7W9J
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Crystal Structure of the Oxomolybdenum Mesoporphyrin IX-Reconstituted CYP102A1 (P450BM3) Heme Domain with N-Dodecanoyl-L-Homoserine Lactone
分子名称: Bifunctional cytochrome P450/NADPH--P450 reductase, GLYCEROL, N-[(3S)-2-oxooxolan-3-yl]dodecanamide, ...
著者Karasawa, M, Stanfield, J.K, Kasai, C, Sugimoto, H, Shoji, O.
登録日2021-12-09
公開日2022-12-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crystal Structure of the Oxomolybdenum Mesoporphyrin IX-Reconstituted CYP102A1 (P450BM3) Heme Domain with N-Dodecanoyl-L-Homoserine Lactone
To Be Published
7SV2
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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
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
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
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
7Q6R
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OleP mutant E89Y 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 (2.44 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
7SNM
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Lanosterol-bound P450 domain of the CYP51-ferredoxin fusion protein from Methylococcus capsulatus
分子名称: Cytochrome P450 51, LANOSTEROL, PROTOPORPHYRIN IX CONTAINING FE
著者Lepesheva, G.I, Hargrove, T, Wawrzak, Z.
登録日2021-10-28
公開日2022-10-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Unravelling the role of transient redox partner complexes in P450 electron transfer mechanics.
Sci Rep, 12, 2022
7SMZ
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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
7SHI
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Crystal Structure of Cytochrome P450 AmphL from Streptomyces nodosus and the Structural Basis for Substrate Selectivity in Macrolide Metabolizing P450s
分子名称: (1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,19E,22E,33S,35S,36R,37S)-33-[(3-amino-3,6-dideoxy-beta-D-mannopyranosyl)oxy]-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,22-diene-36-carboxylic acid, AmphL, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Amaya, J.A, Poulos, T.L.
登録日2021-10-08
公開日2022-03-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.00002766 Å)
主引用文献Structural analysis of P450 AmphL from Streptomyces nodosus provides insights into substrate selectivity of polyene macrolide antibiotic biosynthetic P450s.
J.Biol.Chem., 298, 2022
7SH5
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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
7PQ1
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Ligand-free crystal structure of a staphylococcal orthologue of CYP134A1
分子名称: Cytochrome P450 protein, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE
著者Snee, M, Levy, C, Leys, D, Katariya, M, Munro, A.W.
登録日2021-09-15
公開日2022-09-21
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献Crystal structure of a staphylococcal orthologue of CYP134A1 (CYPX) in complex with Cyclo-L-leucyl-L-leucine
To Be Published
7S3T
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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
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
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

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件を2024-06-12に公開中

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