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Testosterone-bound structure of CYP154C2 from Streptomyces avermitilis in an closed conformation
Descriptor:	Cytochrome P450 hydroxylase, DI(HYDROXYETHYL)ETHER, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:	Xu, L.H, Fushinobu, S.
Deposit date:	2020-07-20
Release date:	2021-07-21
Last modified:	2023-11-29
Method:	X-RAY DIFFRACTION (1.42 Å)
Cite:	Improved 2 alpha-Hydroxylation Efficiency of Steroids by CYP154C2 Using Structure-Guided Rational Design. Appl.Environ.Microbiol., 89, 2023

7W97

Crystal Structure of the CYP102A1 (P450BM3) Heme Domain with N-Hexadecanoyl-L-Homoserine
Descriptor:	(2~{S})-2-(hexadecanoylamino)-4-oxidanyl-butanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, GLYCEROL, ...
Authors:	Karasawa, M, Stanfield, J.K, Kasai, C, Sugimoto, H, Shoji, O.
Deposit date:	2021-12-09
Release date:	2022-12-14
Last modified:	2023-11-29
Method:	X-RAY DIFFRACTION (1.4 Å)
Cite:	Crystal Structure of the CYP102A1 (P450BM3) Heme Domain with N-Hexadecanoyl-L-Homoserine To Be Published

7W9D

Crystal Structure of the Oxomolybdenum Mesoporphyrin IX-Reconstituted CYP102A1 (P450BM3) Heme Domain with N-Hexadecanoyl-L-Homoserine
Descriptor:	(2~{S})-2-(hexadecanoylamino)-4-oxidanyl-butanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, GLYCEROL, ...
Authors:	Karasawa, M, Stanfield, J.K, Kasai, C, Sugimoto, H, Shoji, O.
Deposit date:	2021-12-09
Release date:	2022-12-14
Last modified:	2023-11-29
Method:	X-RAY DIFFRACTION (1.55 Å)
Cite:	Crystal Structure of the Oxomolybdenum Mesoporphyrin IX-Reconstituted CYP102A1 (P450BM3) Heme Domain with N-Hexadecanoyl-L-Homoserine To Be Published

7W9J

Crystal Structure of the Oxomolybdenum Mesoporphyrin IX-Reconstituted CYP102A1 (P450BM3) Heme Domain with N-Dodecanoyl-L-Homoserine Lactone
Descriptor:	Bifunctional cytochrome P450/NADPH--P450 reductase, GLYCEROL, N-[(3S)-2-oxooxolan-3-yl]dodecanamide, ...
Authors:	Karasawa, M, Stanfield, J.K, Kasai, C, Sugimoto, H, Shoji, O.
Deposit date:	2021-12-09
Release date:	2022-12-14
Last modified:	2023-11-29
Method:	X-RAY DIFFRACTION (1.75 Å)
Cite:	Crystal Structure of the Oxomolybdenum Mesoporphyrin IX-Reconstituted CYP102A1 (P450BM3) Heme Domain with N-Dodecanoyl-L-Homoserine Lactone To Be Published

5JQ2

Crystal structure of the Ru(bpy)2PhenA functionalized P450 BM3 L407C heme domain mutant in complex with N-palmitoylglycine
Descriptor:	N-PALMITOYLGLYCINE, P450 BM3 L407C heme domain mutant, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:	Kloos, M.
Deposit date:	2016-05-04
Release date:	2016-10-12
Last modified:	2023-09-27
Method:	X-RAY DIFFRACTION (2 Å)
Cite:	Insights into an efficient light-driven hybrid P450 BM3 enzyme from crystallographic, spectroscopic and biochemical studies. Biochim.Biophys.Acta, 1864, 2016

6JMW

Structure of the Chromium Protoporphyrin IX-Reconstituted CYP102A1 Haem Domain with N-Abietoyl-L-Tryptophan
Descriptor:	(2S)-2-[[(1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl]carbonylamino]-3-( 1H-indol-3-yl)propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, Chromium Protoporphyrin IX, ...
Authors:	Stanfield, J.K, Omura, K, Kasai, C, Sugimoto, H, Shiro, Y, Watanabe, Y, Shoji, O.
Deposit date:	2019-03-13
Release date:	2020-03-18
Last modified:	2023-11-22
Method:	X-RAY DIFFRACTION (1.85 Å)
Cite:	Crystals in Minutes: Instant On-Site Microcrystallisation of Various Flavours of the CYP102A1 (P450BM3) Haem Domain. Angew.Chem.Int.Ed.Engl., 59, 2020

6JLV

Near-Atomic Resolution Structure of the CYP102A1 Haem Domain with N-Abietoyl-L-Tryptophan
Descriptor:	(2S)-2-[[(1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl]carbonylamino]-3-( 1H-indol-3-yl)propanoic acid, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Bifunctional cytochrome P450/NADPH--P450 reductase, ...
Authors:	Stanfield, J.K, Kasai, C, Sugimoto, H, Shiro, Y, Watanabe, Y, Shoji, O.
Deposit date:	2019-03-07
Release date:	2020-03-18
Last modified:	2023-11-22
Method:	X-RAY DIFFRACTION (1.22 Å)
Cite:	Crystals in Minutes: Instant On-Site Microcrystallisation of Various Flavours of the CYP102A1 (P450BM3) Haem Domain. Angew.Chem.Int.Ed.Engl., 59, 2020

6JMH

Structure of the Oxomolybdenum Mesoporphyrin IX-Reconstituted CYP102A1 Haem Domain with N-Abietoyl-L-Tryptophan
Descriptor:	(2S)-2-[[(1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl]carbonylamino]-3-( 1H-indol-3-yl)propanoic acid, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Bifunctional cytochrome P450/NADPH--P450 reductase, ...
Authors:	Stanfield, J.K, Omura, K, Kasai, C, Sugimoto, H, Shiro, Y, Watanabe, Y, Shoji, O.
Deposit date:	2019-03-10
Release date:	2020-03-18
Last modified:	2023-11-22
Method:	X-RAY DIFFRACTION (1.46 Å)
Cite:	Crystals in Minutes: Instant On-Site Microcrystallisation of Various Flavours of the CYP102A1 (P450BM3) Haem Domain. Angew.Chem.Int.Ed.Engl., 59, 2020

6JO1

Structure of the CYP102A1 Haem Domain with N-(S)-Ibuprofenoyl-L-Phenylalanine
Descriptor:	(2S)-2-[[(2S)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, DIMETHYL SULFOXIDE, ...
Authors:	Stanfield, J.K, Kasai, C, Sugimoto, H, Shiro, Y, Watanabe, Y, Shoji, O.
Deposit date:	2019-03-19
Release date:	2020-03-18
Last modified:	2023-11-22
Method:	X-RAY DIFFRACTION (2.1 Å)
Cite:	Crystals in Minutes: Instant On-Site Microcrystallisation of Various Flavours of the CYP102A1 (P450BM3) Haem Domain. Angew.Chem.Int.Ed.Engl., 59, 2020

6JS8

Structure of the CYP102A1 Haem Domain with N-Dehydroabietoyl-L-Tryptophan
Descriptor:	(2S)-2-[[(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]carbonylamino]-3-(1H-indol-3-yl)propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, DIMETHYL SULFOXIDE, ...
Authors:	Stanfield, J.K, Kasai, C, Sugimoto, H, Shiro, Y, Watanabe, Y, Shoji, O.
Deposit date:	2019-04-07
Release date:	2020-03-18
Last modified:	2023-11-22
Method:	X-RAY DIFFRACTION (1.36 Å)
Cite:	Crystals in Minutes: Instant On-Site Microcrystallisation of Various Flavours of the CYP102A1 (P450BM3) Haem Domain. Angew.Chem.Int.Ed.Engl., 59, 2020

6K58

Structure of the CYP102A1 Haem Domain with N-Enanthyl-L-Prolyl-L-Phenylalanine
Descriptor:	(2S)-2-[[(2S)-1-heptylpyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, DIMETHYL SULFOXIDE, ...
Authors:	Stanfield, J.K, Kasai, C, Sugimoto, H, Shiro, Y, Watanabe, Y, Shoji, O.
Deposit date:	2019-05-28
Release date:	2020-03-18
Last modified:	2023-11-22
Method:	X-RAY DIFFRACTION (1.41 Å)
Cite:	Crystals in Minutes: Instant On-Site Microcrystallisation of Various Flavours of the CYP102A1 (P450BM3) Haem Domain. Angew.Chem.Int.Ed.Engl., 59, 2020

6JVC

Structure of the Cobalt Protoporphyrin IX-Reconstituted CYP102A1 Haem Domain with N-Abietoyl-L-Tryptophan
Descriptor:	(2S)-2-[[(1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl]carbonylamino]-3-( 1H-indol-3-yl)propanoic acid, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Bifunctional cytochrome P450/NADPH--P450 reductase, ...
Authors:	Stanfield, J.K, Matsumoto, A, Kasai, C, Sugimoto, H, Shiro, Y, Watanabe, Y, Shoji, O.
Deposit date:	2019-04-16
Release date:	2020-03-18
Last modified:	2023-11-22
Method:	X-RAY DIFFRACTION (1.75 Å)
Cite:	Crystals in Minutes: Instant On-Site Microcrystallisation of Various Flavours of the CYP102A1 (P450BM3) Haem Domain. Angew.Chem.Int.Ed.Engl., 59, 2020

6K9S

Structure of the Carbonylruthenium Mesoporphyrin IX-Reconstituted CYP102A1 Haem Domain with N-Abietoyl-L-Tryptophan
Descriptor:	(2S)-2-[[(1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl]carbonylamino]-3-( 1H-indol-3-yl)propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, CARBON MONOXIDE, ...
Authors:	Stanfield, J.K, Omura, K, Kasai, C, Sugimoto, H, Shiro, Y, Watanabe, Y, Shoji, O.
Deposit date:	2019-06-17
Release date:	2020-03-18
Last modified:	2023-11-22
Method:	X-RAY DIFFRACTION (1.55 Å)
Cite:	Crystals in Minutes: Instant On-Site Microcrystallisation of Various Flavours of the CYP102A1 (P450BM3) Haem Domain. Angew.Chem.Int.Ed.Engl., 59, 2020

6JZS

Structure of the Manganese Protoporphyrin IX-Reconstituted CYP102A1 Haem Domain with N-Abietoyl-L-Tryptophan in complex with Pyridine
Descriptor:	(2S)-2-[[(1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl]carbonylamino]-3-( 1H-indol-3-yl)propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, GLYCEROL, ...
Authors:	Stanfield, J.K, Omura, K, Matsumoto, A, Kasai, C, Sugimoto, H, Shiro, Y, Watanabe, Y, Shoji, O.
Deposit date:	2019-05-03
Release date:	2020-03-18
Last modified:	2023-11-22
Method:	X-RAY DIFFRACTION (1.68 Å)
Cite:	Crystals in Minutes: Instant On-Site Microcrystallisation of Various Flavours of the CYP102A1 (P450BM3) Haem Domain. Angew.Chem.Int.Ed.Engl., 59, 2020

5B2Y

Crystal Structure of P450BM3 with N-perfluorodecanoyl-L-tryptophan
Descriptor:	(2~{S})-3-(1~{H}-indol-3-yl)-2-[2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecakis(fluoranyl)decanoylamino]propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, PROTOPORPHYRIN IX CONTAINING FE
Authors:	Cong, Z, Shoji, O, Kasai, C, Sugimoto, H, Shiro, Y, Watanabe, Y.
Deposit date:	2016-02-07
Release date:	2017-02-08
Last modified:	2023-11-08
Method:	X-RAY DIFFRACTION (2.01 Å)
Cite:	Crystal Structure of P450BM3 with decoy molecules to be published

5B2U

Crystal Structure of P450BM3 with N-perfluorohexanoyl -L-tryptophan
Descriptor:	(2~{S})-3-(1~{H}-indol-3-yl)-2-[2,2,3,3,4,4,5,5,6,6,6-undecakis(fluoranyl)hexanoylamino]propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, DIMETHYL SULFOXIDE, ...
Authors:	Cong, Z, Shoji, O, Kasai, C, Sugimoto, H, Shiro, Y, Watanabe, Y.
Deposit date:	2016-02-03
Release date:	2017-02-08
Last modified:	2023-11-08
Method:	X-RAY DIFFRACTION (1.9 Å)
Cite:	Crystal Structure of P450BM3 with decoy molecules to be published

5B2W

Crystal Structure of P450BM3 with N-perfluorododecanoyl-L-tryptophan
Descriptor:	(2~{S})-3-(1~{H}-indol-3-yl)-2-[2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-tricosakis(fluoranyl)dodecanoylamino]propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, PROTOPORPHYRIN IX CONTAINING FE
Authors:	Cong, Z, Shoji, O, Kasai, C, Sugimoto, H, Shiro, Y, Watanabe, Y.
Deposit date:	2016-02-03
Release date:	2017-02-08
Last modified:	2023-11-08
Method:	X-RAY DIFFRACTION (1.65 Å)
Cite:	Crystal Structure of P450BM3 with decoy molecules to be published

5B2X

Crystal Structure of P450BM3 mutant with N-perfluoroheptanoyl-L-tryptophan
Descriptor:	(2~{S})-3-(1~{H}-indol-3-yl)-2-[2,2,3,3,4,4,5,5,6,6,7,7,7-tridecakis(fluoranyl)heptanoylamino]propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, DIMETHYL SULFOXIDE, ...
Authors:	Cong, Z, Shoji, O, Kasai, C, Sugimoto, H, Shiro, Y, Watanabe, Y.
Deposit date:	2016-02-03
Release date:	2017-02-08
Last modified:	2023-11-08
Method:	X-RAY DIFFRACTION (1.9 Å)
Cite:	Crystal Structure of P450BM3 with decoy molecules to be published

5B2V

Crystal Structure of P450BM3 with N-perfluorohexanoyl-L-tryptophan
Descriptor:	(2~{S})-3-(1~{H}-indol-3-yl)-2-[2,2,3,3,4,4,5,5,6,6,6-undecakis(fluoranyl)hexanoylamino]propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, PROTOPORPHYRIN IX CONTAINING FE
Authors:	Cong, Z, Shoji, O, Kasai, C, Sugimoto, H, Shiro, Y, Watanabe, Y.
Deposit date:	2016-02-03
Release date:	2017-02-08
Last modified:	2023-11-08
Method:	X-RAY DIFFRACTION (2.3 Å)
Cite:	Crystal Structure of P450BM3 with decoy molecules to be published

8U2M

Structure of P450Blt from Micromonospora sp. MW-13 in Complex with Biarylitide
Descriptor:	2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXYL, ACETATE ION, Cytochrome P450-SU1, ...
Authors:	Hansen, M.H, Cryle, M.J.
Deposit date:	2023-09-06
Release date:	2024-01-10
Method:	X-RAY DIFFRACTION (1.79 Å)
Cite:	Structural Insights into a Side Chain Cross-Linking Biarylitide P450 from RiPP Biosynthesis Acs Catalysis, 2024

8UKZ

Structure of P450Blt from Micromonospora sp. MW-13 with E238A Mutation
Descriptor:	ACETATE ION, Cytochrome P450-SU1, DI(HYDROXYETHYL)ETHER, ...
Authors:	Hansen, M.H, Cryle, M.J.
Deposit date:	2023-10-15
Release date:	2024-01-10
Method:	X-RAY DIFFRACTION (1.95 Å)
Cite:	Structural Insights into a Side Chain Cross-Linking Biarylitide P450 from RiPP Biosynthesis Acs Catalysis, 2024

3CV9

Crystal structure of vitamin D hydroxylase cytochrome P450 105A1 (R73A/R84A mutant) in complex with 1alpha,25-dihydroxyvitamin D3
Descriptor:	5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANE-1,3-DIOL, Cytochrome P450-SU1, PROTOPORPHYRIN IX CONTAINING FE
Authors:	Hayashi, K, Sugimoto, H, Shinkyo, R, Yamada, M, Ikeda, S, Ikushiro, S, Kamakura, M, Shiro, Y, Sakaki, T.
Deposit date:	2008-04-18
Release date:	2008-11-04
Last modified:	2023-11-01
Method:	X-RAY DIFFRACTION (1.7 Å)
Cite:	Structure-based design of a highly active vitamin D hydroxylase from Streptomyces griseolus CYP105A1 Biochemistry, 47, 2008

7Y0S

Crystal structure of the P450 BM3 heme domain mutant F87A in complex with N-imidazolyl-hexanoyl-L-tyrosyl-L-tyrosine and hydroxylamine
Descriptor:	Bifunctional cytochrome P450/NADPH--P450 reductase, HYDROXYAMINE, I7X-TYR-TYR, ...
Authors:	Jiang, Y, Dong, S, Feng, Y, Cong, Z.
Deposit date:	2022-06-06
Release date:	2023-06-14
Last modified:	2023-11-29
Method:	X-RAY DIFFRACTION (2.06 Å)
Cite:	Crystal structure of the P450 BM3 heme domain mutant F87A in complex with N-imidazolyl-hexanoyl-L-tyrosyl-L-tyrosine and hydroxylamine To Be Published

7Y0U

Crystal structure of the P450 BM3 heme domain mutant F87A in complex with N-imidazolyl-hexanoyl-L-phenylalanyl-L-phenylalanine and hydroxylamine
Descriptor:	Bifunctional cytochrome P450/NADPH--P450 reductase, HYDROXYAMINE, I7X-PHE-PHE, ...
Authors:	Jiang, Y, Dong, S, Feng, Y, Cong, Z.
Deposit date:	2022-06-06
Release date:	2023-06-14
Last modified:	2023-11-29
Method:	X-RAY DIFFRACTION (2 Å)
Cite:	Crystal structure of the P450 BM3 heme domain mutant F87A in complex with N-imidazolyl-hexanoyl-L-phenylalanyl-L-phenylalanine and hydroxylamine To Be Published

7Y0R

Crystal structure of the P450 BM3 heme domain mutant F87L/V78S/A184V in complex with N-imidazolyl-hexanoyl-L-phenylalanine, p-toluidine and hydroxylamine
Descriptor:	(2S)-2-(6-imidazol-1-ylhexanoylamino)-3-phenyl-propanoic acid, 4-METHYLANILINE, Bifunctional cytochrome P450/NADPH--P450 reductase, ...
Authors:	Jiang, Y, Dong, S, Feng, Y, Cong, Z.
Deposit date:	2022-06-06
Release date:	2023-06-14
Last modified:	2023-11-29
Method:	X-RAY DIFFRACTION (2.09 Å)
Cite:	Crystal structure of the P450 BM3 heme domain mutant F87L/V78S/A184V in complex with N-imidazolyl-hexanoyl-L-phenylalanine, p-toluidine and hydroxylamine To Be Published

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Total results:	1735
Displayed results:	25
Sorted by:	Hit score (from highest)
Query:	cytochrome p450