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5L1P
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BU of 5l1p by Molmil
X-ray Structure of Cytochrome P450 PntM with Pentalenolactone
Descriptor: PROTOPORPHYRIN IX CONTAINING FE, Pentalenolactone synthase, pentalenolactone
Authors:Duan, L, Jogl, G, Cane, D.E.
Deposit date:2016-07-29
Release date:2016-09-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:The Cytochrome P450-Catalyzed Oxidative Rearrangement in the Final Step of Pentalenolactone Biosynthesis: Substrate Structure Determines Mechanism.
J.Am.Chem.Soc., 138, 2016
3P6O
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BU of 3p6o by Molmil
Crystal Structure of Cytochrome P450cam crystallized in the presence of a tethered substrate analog AdaC1-Etg-Dans
Descriptor: (3S,5S,7S)-N-(2-{2-[2-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)ethoxy]ethoxy}ethyl)tricyclo[3.3.1.1~3,7~]decane-1-carboxamide, Camphor 5-monooxygenase, POTASSIUM ION, ...
Authors:Lee, Y.-T, Wilson, R.F, Glazer, E.C, Goodin, D.B.
Deposit date:2010-10-11
Release date:2010-11-17
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of Cytochrome P450cam crystallized in the presence of a tethered substrate analog AdaC1-Etg-Dans
To be Published
3P99
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BU of 3p99 by Molmil
Sterol 14alpha-demethylase (CYP51) from Trypanosoma brucei in complex with delta7-14alpha-methylene-cyclopropyl-dihydrolanosterol
Descriptor: (3alpha,9beta,10alpha,13alpha)-30-cyclopropylidenelanost-7-en-3-ol, PROTOPORPHYRIN IX CONTAINING FE, Sterol 14-alpha-demethylase
Authors:Lepesheva, G.I, Hargrove, T.Y, Waterman, M.R, Wawrzak, Z.
Deposit date:2010-10-16
Release date:2011-11-30
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural complex of sterol 14alpha-demethylase (CYP51) with 14alpha-methylenecyclopropyl-delta7-24, 25-dihydrolanosterol
J.Lipid Res., 53, 2012
3L62
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BU of 3l62 by Molmil
Crystal structure of substrate-free P450cam at low [K+]
Descriptor: Camphor 5-monooxygenase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Lee, Y.-T, Wilson, R.F, Rupniewski, I, Goodin, D.B.
Deposit date:2009-12-22
Release date:2010-04-21
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:P450cam visits an open conformation in the absence of substrate.
Biochemistry, 49, 2010
3P3L
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BU of 3p3l by Molmil
Crystal Structure of the Cytochrome P450 monooxygenase AurH (wildtype) from Streptomyces Thioluteus
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, Cytochrome P450, ...
Authors:Zocher, G, Richter, M.E.A, Mueller, U, Hertweck, C.
Deposit date:2010-10-05
Release date:2011-02-16
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural fine-tuning of a multifunctional cytochrome p450 monooxygenase.
J.Am.Chem.Soc., 133, 2011
5L1O
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BU of 5l1o by Molmil
X-ray Structure of Cytochrome P450 PntM with Pentalenolactone F
Descriptor: PROTOPORPHYRIN IX CONTAINING FE, Pentalenolactone synthase, pentalenolactone F
Authors:Duan, L, Jogl, G, Cane, D.E.
Deposit date:2016-07-29
Release date:2016-09-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:The Cytochrome P450-Catalyzed Oxidative Rearrangement in the Final Step of Pentalenolactone Biosynthesis: Substrate Structure Determines Mechanism.
J.Am.Chem.Soc., 138, 2016
3P6T
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BU of 3p6t by Molmil
Crystal Structure of Cytochrome P450cam crystallized in the presence of a tethered substrate analog AdaC2-C8-Dans
Descriptor: Camphor 5-monooxygenase, N-[8-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)octyl]-2-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]acetamide, POTASSIUM ION, ...
Authors:Lee, Y.-T, Wilson, R.F, Glazer, E.C, Goodin, D.B.
Deposit date:2010-10-11
Release date:2010-11-17
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structure of Cytochrome P450cam crystallized in the presence of a tethered substrate analog AdaC2-C8-Dans
To be Published
5L1Q
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BU of 5l1q by Molmil
X-ray Structure of Cytochrome P450 PntM with Dihydropentalenolactone F
Descriptor: Dihydropentalenolactone F, PROTOPORPHYRIN IX CONTAINING FE, Pentalenolactone synthase
Authors:Duan, L, Jogl, G, Cane, D.E.
Deposit date:2016-07-29
Release date:2016-09-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:The Cytochrome P450-Catalyzed Oxidative Rearrangement in the Final Step of Pentalenolactone Biosynthesis: Substrate Structure Determines Mechanism.
J.Am.Chem.Soc., 138, 2016
5KT1
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BU of 5kt1 by Molmil
The crystal structure of 4-methylthiobenzoate-bound CYP199A4
Descriptor: 4-methylsulfanylbenzoic acid, CHLORIDE ION, Cytochrome P450, ...
Authors:Coleman, T, Bruning, J.B, Bell, S.G.
Deposit date:2016-07-11
Release date:2018-01-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.015 Å)
Cite:The crystal structure of 4-methylthiobenzoate-bound CYP199A4
To Be Published
6KFW
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BU of 6kfw by Molmil
The cytochrome P450 enzyme CxnD for C-S bond formation in chuangxinmycin biosynthesis
Descriptor: (2R)-3-(1H-indol-3-yl)-2-methylsulfanyl-propanoic acid, CxnD, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Hong, B.
Deposit date:2019-07-09
Release date:2020-07-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:The Cytochrome P450 Catalyzing C-S Bond Formation in S-Heterocyclization of Chuangxinmycin Biosynthesis.
Angew.Chem.Int.Ed.Engl., 60, 2021
3LXH
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BU of 3lxh by Molmil
Crystal Structure of Cytochrome P450 CYP101D1
Descriptor: 1,4-DIETHYLENE DIOXIDE, Cytochrome P450, PHOSPHATE ION, ...
Authors:Yang, W, Bell, S.G, Wang, H, Bartlam, M, Wong, L.L, Rao, Z.
Deposit date:2010-02-25
Release date:2010-06-23
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Molecular characterization of a class I P450 electron transfer system from Novosphingobium aromaticivorans DSM12444
J.Biol.Chem., 285, 2010
5L1S
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BU of 5l1s by Molmil
X-ray Structure of F232L mutant of Cytochrome P450 PntM with pentalenolactone F
Descriptor: PROTOPORPHYRIN IX CONTAINING FE, Pentalenolactone synthase, pentalenolactone F
Authors:Duan, L, Jogl, G, Cane, D.E.
Deposit date:2016-07-29
Release date:2016-09-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:The Cytochrome P450-Catalyzed Oxidative Rearrangement in the Final Step of Pentalenolactone Biosynthesis: Substrate Structure Determines Mechanism.
J.Am.Chem.Soc., 138, 2016
5L1W
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BU of 5l1w by Molmil
X-ray Structure of 2-Mercaptoethanol modified M81C mutant of Cytochrome P450 PntM with pentalenolactone F
Descriptor: PROTOPORPHYRIN IX CONTAINING FE, Pentalenolactone synthase, pentalenolactone F
Authors:Duan, L, Jogl, G, Cane, D.E.
Deposit date:2016-07-29
Release date:2016-09-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:The Cytochrome P450-Catalyzed Oxidative Rearrangement in the Final Step of Pentalenolactone Biosynthesis: Substrate Structure Determines Mechanism.
J.Am.Chem.Soc., 138, 2016
3PSX
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BU of 3psx by Molmil
Crystal structure of the KT2 mutant of cytochrome P450 BM3
Descriptor: Bifunctional P-450/NADPH-P450 reductase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Yang, W, Whitehouse, C.J.C, Yorke, J.A, Bell, S.G, Zhou, W, Bartlam, M, Wong, L.L, Rao, Z.
Deposit date:2010-12-02
Release date:2011-12-07
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure, electronic properties and catalytic behaviour of an activity-enhancing CYP102A1 (P450(BM3)) variant
Dalton Trans, 40, 2011
5L94
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BU of 5l94 by Molmil
The 2.25 A crystal structure of CYP109E1 from Bacillus megaterium in complex with testosterone
Descriptor: Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE, TESTOSTERONE
Authors:Jozwik, I.K, Thunnissen, A.M.W.H.
Deposit date:2016-06-09
Release date:2016-10-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structural basis of steroid binding and oxidation by the cytochrome P450 CYP109E1 from Bacillus megaterium.
Febs J., 283, 2016
3K9V
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BU of 3k9v by Molmil
Crystal structure of rat mitochondrial P450 24A1 S57D in complex with CHAPS
Descriptor: 1,25-dihydroxyvitamin D(3) 24-hydroxylase, mitochondrial, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, ...
Authors:Annalora, A.J, Goodin, D.B, Hong, W, Zhang, Q, Johnson, E.F, Stout, C.D.
Deposit date:2009-10-16
Release date:2009-12-15
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of CYP24A1, a mitochondrial cytochrome P450 involved in vitamin D metabolism.
J.Mol.Biol., 396, 2010
3JUV
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BU of 3juv by Molmil
Crystal structure of human lanosterol 14alpha-demethylase (CYP51)
Descriptor: Cycloheptakis-(1-4)-(alpha-D-glucopyranose), Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Strushkevich, N, MacKenzie, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Usanov, S.A, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2009-09-15
Release date:2010-03-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.12 Å)
Cite:Structural basis of human CYP51 inhibition by antifungal azoles.
J. Mol. Biol., 397, 2010
5L1V
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BU of 5l1v by Molmil
X-ray Structure of M81C mutant of Cytochrome P450 PntM with pentalenolactone F
Descriptor: PROTOPORPHYRIN IX CONTAINING FE, Pentalenolactone synthase, pentalenolactone F
Authors:Duan, L, Jogl, G, Cane, D.E.
Deposit date:2016-07-29
Release date:2016-09-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:The Cytochrome P450-Catalyzed Oxidative Rearrangement in the Final Step of Pentalenolactone Biosynthesis: Substrate Structure Determines Mechanism.
J.Am.Chem.Soc., 138, 2016
5KYO
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BU of 5kyo by Molmil
Crystal Structure of CYP101J2
Descriptor: CYP101J2, PROTOPORPHYRIN IX CONTAINING FE
Authors:Unterweger, B, Drinkwater, N, Dumsday, G.J, McGowan, S.
Deposit date:2016-07-22
Release date:2017-01-04
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:X-ray crystal structure of cytochrome P450 monooxygenase CYP101J2 from Sphingobium yanoikuyae strain B2.
Proteins, 85, 2017
5L92
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BU of 5l92 by Molmil
The 2.1 A crystal structure of CYP109E1 from Bacillus megaterium in complex with corticosterone
Descriptor: CORTICOSTERONE, Cytochrome P450, MALONIC ACID, ...
Authors:Jozwik, I.K, Thunnissen, A.M.W.H.
Deposit date:2016-06-09
Release date:2016-10-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis of steroid binding and oxidation by the cytochrome P450 CYP109E1 from Bacillus megaterium.
Febs J., 283, 2016
5L91
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BU of 5l91 by Molmil
The 2.2 A crystal structure of CYP109E1 from Bacillus megaterium bound with four corticosterone molecules
Descriptor: CORTICOSTERONE, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE
Authors:Jozwik, I.K, Thunnissen, A.M.W.H.
Deposit date:2016-06-09
Release date:2016-10-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis of steroid binding and oxidation by the cytochrome P450 CYP109E1 from Bacillus megaterium.
Febs J., 283, 2016
6KZS
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BU of 6kzs by Molmil
Crystal structure of cytochrome P450mel 107F1 in complex with heme and imidazole
Descriptor: Cytochrome P-450, IMIDAZOLE, PROTOPORPHYRIN IX CONTAINING FE
Authors:Hou, X.D, Rao, Y.J, Icyishaka, P, Li, C.X, Lou, J.L.
Deposit date:2019-09-25
Release date:2020-09-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.601 Å)
Cite:Crystallization and X-ray analysis of cytochrome P450mel 107F1 with biaryl coupling reactivity
To Be Published
5L1R
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BU of 5l1r by Molmil
X-ray Structure of the Substrate-free Cytochrome P450 PntM
Descriptor: BICINE, PROTOPORPHYRIN IX CONTAINING FE, Pentalenolactone synthase
Authors:Duan, L, Jogl, G, Cane, D.E.
Deposit date:2016-07-29
Release date:2016-09-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2 Å)
Cite:The Cytochrome P450-Catalyzed Oxidative Rearrangement in the Final Step of Pentalenolactone Biosynthesis: Substrate Structure Determines Mechanism.
J.Am.Chem.Soc., 138, 2016
6L1A
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BU of 6l1a by Molmil
Crystal Structure of P450BM3 with N-enanthoyl-L-prolyl-L-phenylalanine
Descriptor: (2S)-2-[[(2S)-1-heptanoylpyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, DIMETHYL SULFOXIDE, ...
Authors:Shoji, O, Yonemura, K.
Deposit date:2019-09-28
Release date:2020-09-30
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.84 Å)
Cite: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
5L1U
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BU of 5l1u by Molmil
X-ray Structure of M81A mutant of Cytochrome P450 PntM with pentalenolactone F
Descriptor: PROTOPORPHYRIN IX CONTAINING FE, Pentalenolactone synthase, pentalenolactone F
Authors:Duan, L, Jogl, G, Cane, D.E.
Deposit date:2016-07-29
Release date:2016-09-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.074 Å)
Cite:The Cytochrome P450-Catalyzed Oxidative Rearrangement in the Final Step of Pentalenolactone Biosynthesis: Substrate Structure Determines Mechanism.
J.Am.Chem.Soc., 138, 2016

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