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4TPO
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BU of 4tpo by Molmil
High-resolution structure of TxtE with bound tryptophan substrate
分子名称: GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, Putative P450-like protein, ...
著者Cahn, J.K.B, Dodani, S.C, Brinkmann-Chen, S, Heinsich, T, McIntosh, J.A, Arnold, F.H.
登録日2014-06-08
公開日2014-09-10
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.225 Å)
主引用文献Structural, Functional, and Spectroscopic Characterization of the Substrate Scope of the Novel Nitrating Cytochrome P450 TxtE.
Chembiochem, 15, 2014
4TPN
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BU of 4tpn by Molmil
High-resolution structure of TxtE in the absence of substrate
分子名称: GLYCEROL, LITHIUM ION, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Cahn, J.K.B, Dodani, S.C, Brinkmann-Chen, S, Heinsich, T, McIntosh, J.A, Arnold, F.H.
登録日2014-06-08
公開日2014-09-10
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.18 Å)
主引用文献Structural, Functional, and Spectroscopic Characterization of the Substrate Scope of the Novel Nitrating Cytochrome P450 TxtE.
Chembiochem, 15, 2014
4D6Z
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BU of 4d6z by Molmil
Cytochrome P450 3A4 bound to imidazole and an inhibitor
分子名称: CYTOCHROME P450 3A4, GLYCEROL, IMIDAZOLE, ...
著者Sevrioukova, I, Poulos, T.
登録日2014-11-19
公開日2015-09-23
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Structure-Based Inhibitor Design for Evaluation of a Cyp3A4 Pharmacophore Model.
J.Med.Chem., 59, 2016
4D7D
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BU of 4d7d by Molmil
Cytochrome P450 3A4 bound to an inhibitor
分子名称: CYTOCHROME P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl [(2S)-1-(1H-indol-3-yl)-3-({3-oxo-3-[(pyridin-3-ylmethyl)amino]propyl}sulfanyl)propan-2-yl]carbamate
著者Sevrioukova, I, Poulos, T.
登録日2014-11-22
公開日2015-09-23
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.76 Å)
主引用文献Structure-Based Inhibitor Design for Evaluation of a Cyp3A4 Pharmacophore Model.
J.Med.Chem., 59, 2016
4D75
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BU of 4d75 by Molmil
Cytochrome P450 3A4 bound to an inhibitor
分子名称: CYTOCHROME P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl {6-oxo-6-[(pyridin-3-ylmethyl)amino]hexyl}carbamate
著者Sevrioukova, I, Poulos, T.
登録日2014-11-19
公開日2015-09-23
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structure-Based Inhibitor Design for Evaluation of a Cyp3A4 Pharmacophore Model.
J.Med.Chem., 59, 2016
4D78
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BU of 4d78 by Molmil
Cytochrome P450 3A4 bound to an inhibitor
分子名称: CYTOCHROME P450 3A4, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Sevrioukova, I, Poulos, T.
登録日2014-11-21
公開日2015-09-23
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure-Based Inhibitor Design for Evaluation of a Cyp3A4 Pharmacophore Model.
J.Med.Chem., 59, 2016
2FDW
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BU of 2fdw by Molmil
Crystal Structure Of Human Microsomal P450 2A6 with the inhibitor (5-(Pyridin-3-yl)furan-2-yl)methanamine bound
分子名称: (5-(PYRIDIN-3-YL)FURAN-2-YL)METHANAMINE, Cytochrome P450 2A6, PROTOPORPHYRIN IX CONTAINING FE
著者Yano, J.K, Stout, C.D, Johnson, E.F.
登録日2005-12-14
公開日2006-11-28
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Synthetic Inhibitors of Cytochrome P-450 2A6: Inhibitory Activity, Difference Spectra, Mechanism of Inhibition, and Protein Cocrystallization.
J.Med.Chem., 49, 2006
2FDV
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BU of 2fdv by Molmil
Microsomal P450 2A6 with the inhibitor N-Methyl(5-(pyridin-3-yl)furan-2-yl)methanamine bound
分子名称: 1,2-ETHANEDIOL, Cytochrome P450 2A6, N-METHYL(5-(PYRIDIN-3-YL)FURAN-2-YL)METHANAMINE, ...
著者Yano, J.K, Stout, C.D, Johnson, E.F.
登録日2005-12-14
公開日2006-11-28
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Synthetic Inhibitors of Cytochrome P-450 2A6: Inhibitory Activity, Difference Spectra, Mechanism of Inhibition, and Protein Cocrystallization.
J.Med.Chem., 49, 2006
2NNB
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BU of 2nnb by Molmil
The Q403K mutant heme domain of flavocytochrome P450 BM3
分子名称: Bifunctional P-450:NADPH-P450 reductase, PROTOPORPHYRIN IX CONTAINING FE
著者Clark, J.P, Anderson, J.L.R, Miles, C.S, Mowat, C.G, Reid, G.A, Chapman, S.K.
登録日2006-10-24
公開日2007-09-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The Q403K mutant heme domain of flavocytochrome P450 BM3
To be published
2FDY
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BU of 2fdy by Molmil
Microsomal P450 2A6 with the inhibitor Adrithiol bound
分子名称: 4,4'-DIPYRIDYL DISULFIDE, Cytochrome P450 2A6, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Yano, J.K, Stout, C.D, Johnson, E.F.
登録日2005-12-14
公開日2006-11-28
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Synthetic Inhibitors of Cytochrome P-450 2A6: Inhibitory Activity, Difference Spectra, Mechanism of Inhibition, and Protein Cocrystallization.
J.Med.Chem., 49, 2006
1H5Z
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BU of 1h5z by Molmil
CYTOCHROME P450 14 ALPHA-STEROL DEMETHYLASE (CYP51) FROM MYCOBACTERIUM TUBERCULOSIS IN FERRIC LOW-SPIN STATE
分子名称: CYTOCHROME P450 51, FE (II) ION, PROTOPORPHYRIN IX CONTAINING FE
著者Podust, L.M, Arase, M, Waterman, M.R.
登録日2001-05-31
公開日2003-10-03
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Estriol Bound and Ligand-Free Structures of Sterol 14Alpha-Demethylase.
Structure, 12, 2004
4TVF
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BU of 4tvf by Molmil
OxyB from Actinoplanes teichomyceticus
分子名称: OxyB, PROTOPORPHYRIN IX CONTAINING FE
著者Haslinger, K, Cryle, M.J.
登録日2014-06-26
公開日2014-11-12
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Cytochrome P450 OxyBtei Catalyzes the First Phenolic Coupling Step in Teicoplanin Biosynthesis.
Chembiochem, 15, 2014
3CBD
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BU of 3cbd by Molmil
Directed Evolution of cytochrome P450 BM3, to octane monoxygenase 139-3
分子名称: Bifunctional P-450/NADPH-P450 reductase, N-PALMITOYLGLYCINE, PROTOPORPHYRIN IX CONTAINING FE
著者Meharenna, Y.T, Li, H, Poulos, T.L.
登録日2008-02-21
公開日2008-07-01
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Directed Evolution of cytochrome P450 BM3, to octane monoxygenase 139-3
To be Published
6K3Q
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BU of 6k3q by Molmil
Crystal Structure of P450BM3 with N-(3-cyclohexylpropanoyl)-L-prolyl-L-phenylalanine
分子名称: (2S)-2-[[(2S)-1-(3-cyclohexylpropanoyl)pyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, DIMETHYL SULFOXIDE, ...
著者Shoji, O, Yonemura, K.
登録日2019-05-21
公開日2020-05-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Systematic Evolution of Decoy Molecules for the Highly Efficient Hydroxylation of Benzene and Small Alkanes Catalyzed by Wild-Type Cytochrome P450BM3
Acs Catalysis, 10, 2020
6L1A
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BU of 6l1a by Molmil
Crystal Structure of P450BM3 with N-enanthoyl-L-prolyl-L-phenylalanine
分子名称: (2S)-2-[[(2S)-1-heptanoylpyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, DIMETHYL SULFOXIDE, ...
著者Shoji, O, Yonemura, K.
登録日2019-09-28
公開日2020-09-30
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Systematic Evolution of Decoy Molecules for the Highly Efficient Hydroxylation of Benzene and Small Alkanes Catalyzed by Wild-Type Cytochrome P450BM3
Acs Catalysis, 10, 2020
6ZI7
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BU of 6zi7 by Molmil
Crystal structure of OleP-oleandolide(DEO) bound to L-rhamnose
分子名称: (3~{R},4~{S},5~{R},6~{S},7~{S},9~{S},11~{R},12~{S},13~{R},14~{R})-3,5,7,9,11,13,14-heptamethyl-4,6,12-tris(oxidanyl)-1-oxacyclotetradecane-2,10-dione, Cytochrome P-450, FORMIC ACID, ...
著者Montemiglio, L.C, Savino, C, Vallone, B, Parisi, G, Freda, I.
登録日2020-06-25
公開日2020-10-21
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Dissecting the Cytochrome P450 OleP Substrate Specificity: Evidence for a Preferential Substrate.
Biomolecules, 10, 2020
6ZI2
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BU of 6zi2 by Molmil
OleP-oleandolide(DEO) in low salt crystallization conditions
分子名称: (3~{R},4~{S},5~{R},6~{S},7~{S},9~{S},11~{R},12~{S},13~{R},14~{R})-3,5,7,9,11,13,14-heptamethyl-4,6,12-tris(oxidanyl)-1-oxacyclotetradecane-2,10-dione, Cytochrome P-450, PROTOPORPHYRIN IX CONTAINING FE
著者Savino, C, Montemiglio, L.C, Vallone, B, Parisi, G, Cecchetti, C.
登録日2020-06-24
公開日2020-10-21
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.93 Å)
主引用文献Dissecting the Cytochrome P450 OleP Substrate Specificity: Evidence for a Preferential Substrate.
Biomolecules, 10, 2020
6ZI3
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BU of 6zi3 by Molmil
Crystal structure of OleP-6DEB bound to L-rhamnose
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 6-DEOXYERYTHRONOLIDE B, Cytochrome P-450, ...
著者Montemiglio, L.C, Savino, C, Vallone, B, Parisi, G, Freda, I.
登録日2020-06-24
公開日2020-10-21
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Dissecting the Cytochrome P450 OleP Substrate Specificity: Evidence for a Preferential Substrate.
Biomolecules, 10, 2020
6ZHZ
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BU of 6zhz by Molmil
OleP-oleandolide(DEO) in high salt crystallization conditions
分子名称: (3~{R},4~{S},5~{R},6~{S},7~{S},9~{S},11~{R},12~{S},13~{R},14~{R})-3,5,7,9,11,13,14-heptamethyl-4,6,12-tris(oxidanyl)-1-oxacyclotetradecane-2,10-dione, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cytochrome P-450, ...
著者Montemiglio, L.C, Savino, C, Vallone, B, Parisi, G, Cecchetti, C.
登録日2020-06-24
公開日2020-10-21
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Dissecting the Cytochrome P450 OleP Substrate Specificity: Evidence for a Preferential Substrate.
Biomolecules, 10, 2020
5IUT
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BU of 5iut by Molmil
STRUCTURE OF P450 2B4 F202W MUTANT
分子名称: 3,6,9,12,15,18-hexaoxahexacosan-1-ol, Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE
著者Jang, H.-H, Halpert, J.R, Shah, M.B.
登録日2016-03-18
公開日2016-06-08
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Effect of detergent binding on cytochrome P450 2B4 structure as analyzed by X-ray crystallography and deuterium-exchange mass spectrometry.
Biophys.Chem., 216, 2016
5ZLH
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BU of 5zlh by Molmil
Crystal structure of Mn-ProtoporphyrinIX-reconstituted P450BM3
分子名称: Bifunctional cytochrome P450/NADPH--P450 reductase, MANGANESE PROTOPORPHYRIN IX
著者Omura, K, Aiba, Y, Onoda, H, Sugimoto, H, Shoji, O, Watanabe, Y.
登録日2018-03-28
公開日2018-08-15
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Reconstitution of full-length P450BM3 with an artificial metal complex by utilising the transpeptidase Sortase A.
Chem. Commun. (Camb.), 54, 2018
8HNZ
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BU of 8hnz by Molmil
Crystal structure of cytochrome P450 NasF5053 mutant E73S complexed with 6FCWP
分子名称: (3~{S},8~{a}~{S})-3-[(5-fluoranyl-1~{H}-indol-3-yl)methyl]-2,3,6,7,8,8~{a}-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione, CALCIUM ION, Cytochrome P450-F5053, ...
著者Ma, B.D, Tian, W, Qu, X, Kong, X.D.
登録日2022-12-09
公開日2023-04-19
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Engineering the Substrate Specificity of a P450 Dimerase Enables the Collective Biosynthesis of Heterodimeric Tryptophan-Containing Diketopiperazines.
Angew.Chem.Int.Ed.Engl., 62, 2023
8HO0
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BU of 8ho0 by Molmil
Crystal structure of cytochrome P450 NasF5053 mutant E73S complexed with 8FCWP
分子名称: (3~{S},8~{a}~{S})-3-[(7-fluoranyl-1~{H}-indol-3-yl)methyl]-2,3,6,7,8,8~{a}-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione, CALCIUM ION, Cytochrome P450-F5053, ...
著者Ma, B.D, Tian, W, Qu, X, Kong, X.D.
登録日2022-12-09
公開日2023-04-19
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Engineering the Substrate Specificity of a P450 Dimerase Enables the Collective Biosynthesis of Heterodimeric Tryptophan-Containing Diketopiperazines.
Angew.Chem.Int.Ed.Engl., 62, 2023
8HO1
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BU of 8ho1 by Molmil
Crystal structure of cytochrome P450 NasF5053 mutant F387G
分子名称: CALCIUM ION, Cytochrome P450-F5053, PROTOPORPHYRIN IX CONTAINING FE
著者Ma, B.D, Tian, W, Qu, X, Kong, X.D.
登録日2022-12-09
公開日2023-04-19
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Engineering the Substrate Specificity of a P450 Dimerase Enables the Collective Biosynthesis of Heterodimeric Tryptophan-Containing Diketopiperazines.
Angew.Chem.Int.Ed.Engl., 62, 2023
8HNY
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BU of 8hny by Molmil
Crystal structure of cytochrome P450 NasF5053 mutant E73S complexed with 5FCWP
分子名称: (3~{S},8~{a}~{S})-3-[(4-fluoranyl-1~{H}-indol-3-yl)methyl]-2,3,6,7,8,8~{a}-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione, Cytochrome P450-F5053, PROTOPORPHYRIN IX CONTAINING FE
著者Ma, B.D, Tian, W, Qu, X, Kong, X.D.
登録日2022-12-09
公開日2023-04-26
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Engineering the Substrate Specificity of a P450 Dimerase Enables the Collective Biosynthesis of Heterodimeric Tryptophan-Containing Diketopiperazines.
Angew.Chem.Int.Ed.Engl., 62, 2023

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件を2024-08-28に公開中

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