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1PHB
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BU of 1phb by Molmil
INHIBITOR-INDUCED CONFORMATIONAL CHANGE IN CYTOCHROME P450-CAM
Descriptor: 1-(N-IMIDAZOLYL)-2-HYDROXY-2-(2,3-DICHLOROPHENYL)OCTANE, CYTOCHROME P450-CAM, PROTOPORPHYRIN IX CONTAINING FE
Authors:Poulos, T.L.
Deposit date:1992-07-27
Release date:1993-10-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Inhibitor-induced conformational change in cytochrome P-450CAM.
Biochemistry, 32, 1993
7Q89
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BU of 7q89 by Molmil
OleP mutant G92W in complex with 6DEB
Descriptor: 6-DEOXYERYTHRONOLIDE B, Cytochrome P-450, FORMIC ACID, ...
Authors:Savino, C, Montemiglio, L.C, Vallone, B, Exertier, C, Freda, I, Gugole, E.
Deposit date:2021-11-10
Release date:2022-01-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Point Mutations at a Key Site Alter the Cytochrome P450 OleP Structural Dynamics.
Biomolecules, 12, 2021
7Q6X
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BU of 7q6x by Molmil
OleP mutant S240Y in complex with 6DEB
Descriptor: 6-DEOXYERYTHRONOLIDE B, Cytochrome P-450, FORMIC ACID, ...
Authors:Savino, C, Montemiglio, L.C, Vallone, B, Exertier, C, Freda, I, Gugole, E.
Deposit date:2021-11-09
Release date:2022-01-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Point Mutations at a Key Site Alter the Cytochrome P450 OleP Structural Dynamics.
Biomolecules, 12, 2021
8CKN
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BU of 8ckn by Molmil
Cytochrome P450 CYP143A1 (Rv1785c) from Mycobacterium tuberculosis
Descriptor: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Selvam, I.R.
Deposit date:2023-02-16
Release date:2024-02-28
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:1.54 Angstrom structure of cytochrome P450 CYP143A1 (Rv1785c) from Mycobacterium tuberculosis
To Be Published
7Q6R
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BU of 7q6r by Molmil
OleP mutant E89Y in complex with 6DEB
Descriptor: 6-DEOXYERYTHRONOLIDE B, Cytochrome P-450, FORMIC ACID, ...
Authors:Savino, C, Montemiglio, L.C, Vallone, B, Exertier, C, Freda, I, Gugole, E.
Deposit date:2021-11-09
Release date:2022-01-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Point Mutations at a Key Site Alter the Cytochrome P450 OleP Structural Dynamics.
Biomolecules, 12, 2021
1PHA
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BU of 1pha by Molmil
INHIBITOR-INDUCED CONFORMATIONAL CHANGE IN CYTOCHROME P450-CAM
Descriptor: 1-(N-IMIDAZOLYL)-2-HYDROXY-2-(2,3-DICHLOROPHENYL)OCTANE, CYTOCHROME P450-CAM, PROTOPORPHYRIN IX CONTAINING FE
Authors:Poulos, T.L.
Deposit date:1992-07-27
Release date:1993-10-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Inhibitor-induced conformational change in cytochrome P-450CAM.
Biochemistry, 32, 1993
1PKF
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BU of 1pkf by Molmil
Crystal Structure of Epothilone D-bound Cytochrome P450epoK
Descriptor: EPOTHILONE D, PROTOPORPHYRIN IX CONTAINING FE, cytochrome p450EpoK
Authors:Nagano, S, Li, H, Shimizu, H, Nishida, C, Ogura, H, Ortiz de Montellano, P.R, Poulos, T.L.
Deposit date:2003-06-05
Release date:2003-10-28
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structures of Epothilone D-bound, Epothilone B-bound, and Substrate-free Forms of Cytochrome P450epoK
J.Biol.Chem., 278, 2003
6DAA
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BU of 6daa by Molmil
Human CYP3A4 bound to an inhibitor
Descriptor: 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
Authors:Sevrioukova, I.F.
Deposit date:2018-05-01
Release date:2019-04-03
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.15 Å)
Cite: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
6DAJ
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BU of 6daj by Molmil
Human CYP3A4 bound to an inhibitor
Descriptor: Cytochrome P450 3A4, GLUTAMINE, GLYCEROL, ...
Authors:Sevrioukova, I.F.
Deposit date:2018-05-01
Release date:2019-04-03
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.45 Å)
Cite: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
6DAB
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BU of 6dab by Molmil
Human CYP3A4 bound to an inhibitor
Descriptor: Cytochrome P450 3A4, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Sevrioukova, I.F.
Deposit date:2018-05-01
Release date:2019-04-03
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.35 Å)
Cite: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
6DAL
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BU of 6dal by Molmil
Human CYP3A4 bound to an inhibitor
Descriptor: Cytochrome P450 3A4, GLYCEROL, Nalpha-{(2S)-2-[(tert-butoxycarbonyl)amino]-3-phenylpropyl}-N-[2-(pyridin-3-yl)ethyl]-D-phenylalaninamide, ...
Authors:Sevrioukova, I.F.
Deposit date:2018-05-01
Release date:2019-04-03
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.65 Å)
Cite: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
1Q5E
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BU of 1q5e by Molmil
Substrate-free Cytochrome P450epoK
Descriptor: P450 epoxidase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Nagano, S, Li, H, Shimizu, H, Nishida, C, Ogura, H, Ortiz de Montellano, P.R, Poulos, T.L.
Deposit date:2003-08-06
Release date:2003-10-28
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Crystal structures of epothilone D-bound, epothilone B-bound, and substrate-free forms of cytochrome P450epoK
J.Biol.Chem., 278, 2003
4YZR
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BU of 4yzr by Molmil
Bacillus subtilis 168 Bacillaene Polyketide Synthase (PKS) Cytochrome P450 PksS
Descriptor: HISTIDINE, PROTOPORPHYRIN IX CONTAINING FE, Polyketide biosynthesis cytochrome P450 PksS
Authors:Race, P.R, Zulkepli, A.Z, Anderson, R.J.L.
Deposit date:2015-03-25
Release date:2016-04-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Bacillus subtilis 168 Bacillaene Polyketide Synthase (PKS) Cytochrome P450 PksS
To Be Published
6DAC
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BU of 6dac by Molmil
Human CYP3A4 bound to an inhibitor
Descriptor: Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl [(2S)-1-{[(2R)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate
Authors:Sevrioukova, I.F.
Deposit date:2018-05-01
Release date:2019-04-03
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.55 Å)
Cite: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
7Q9E
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BU of 7q9e by Molmil
CYP106A1
Descriptor: COBALT (II) ION, Cytochrome P450, DI(HYDROXYETHYL)ETHER, ...
Authors:Carius, Y, Hutter, M, Kiss, F, Bernhardt, R, Lancaster, C.R.D.
Deposit date:2021-11-12
Release date:2022-10-19
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural comparison of the cytochrome P450 enzymes CYP106A1 and CYP106A2 provides insight into their differences in steroid conversion.
Febs Lett., 596, 2022
6DA3
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BU of 6da3 by Molmil
Human CYP3A4 bound to an inhibitor
Descriptor: Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl [(2R)-1-{[(2R)-1-oxo-3-phenyl-1-{[(pyridin-3-yl)methyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate
Authors:Sevrioukova, I.F.
Deposit date:2018-05-01
Release date:2019-04-03
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.37 Å)
Cite: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
6DA2
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BU of 6da2 by Molmil
Human CYP3A4 bound to an inhibitor
Descriptor: Cytochrome P450 3A4, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Sevrioukova, I.F.
Deposit date:2018-05-01
Release date:2019-04-03
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.65 Å)
Cite: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
6DA5
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BU of 6da5 by Molmil
Human CYP3A4 bound to an inhibitor
Descriptor: Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl [(2R)-1-{[(2S)-1-oxo-3-phenyl-1-{[(pyridin-3-yl)methyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate
Authors:Sevrioukova, I.F.
Deposit date:2018-05-01
Release date:2019-04-03
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.25 Å)
Cite: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
6DAG
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BU of 6dag by Molmil
Human CYP3A4 bound to an inhibitor
Descriptor: Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl [(2R)-1-{[(2S)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate
Authors:Sevrioukova, I.F.
Deposit date:2018-05-01
Release date:2019-04-03
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.8 Å)
Cite: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
4ZE0
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BU of 4ze0 by Molmil
Saccharomyces cerevisiae CYP51 (Lanosterol 14-alpha demethylase) Y140F mutant complexed with Voriconazole
Descriptor: Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE, Voriconazole
Authors:Sagatova, A, Keniya, M.V, Wilson, R, Tyndall, J.D.A, Monk, B.C.
Deposit date:2015-04-20
Release date:2016-03-30
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Triazole resistance mediated by mutations of a conserved active site tyrosine in fungal lanosterol 14 alpha-demethylase.
Sci Rep, 6, 2016
4ZFB
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BU of 4zfb by Molmil
Cytochrome P450 pentamutant from BM3 bound to Palmitic Acid
Descriptor: 1,2-ETHANEDIOL, Bifunctional P-450/NADPH-P450 reductase, NICKEL (II) ION, ...
Authors:Rogers, W.E, Othman, T, Heidary, D.K, Huxford, T.
Deposit date:2015-04-21
Release date:2016-07-13
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.84 Å)
Cite:Effect of Mutation and Substrate Binding on the Stability of Cytochrome P450BM3 Variants.
Biochemistry, 55, 2016
7QAN
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BU of 7qan by Molmil
Cytochrome P450 Enzyme AbyV
Descriptor: 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, CHLORIDE ION, Cytochrome P450, ...
Authors:Parnell, A.E, Back, C.R, Race, P.R.
Deposit date:2021-11-17
Release date:2022-11-30
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:The Role of Cytochrome P450 AbyV in the Final Stages of Abyssomicin C Biosynthesis.
Angew.Chem.Int.Ed.Engl., 62, 2023
4ZDZ
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BU of 4zdz by Molmil
Saccharomyces cerevisiae CYP51 (Lanosterol 14-alpha demethylase) Y140F mutant complexed with fluconazole
Descriptor: 2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL, Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Sagatova, A, Keniya, M.V, Wilson, R.K, Tyndall, J.D.A, Monk, B.C.
Deposit date:2015-04-20
Release date:2016-03-30
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Triazole resistance mediated by mutations of a conserved active site tyrosine in fungal lanosterol 14 alpha-demethylase.
Sci Rep, 6, 2016
8DL4
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BU of 8dl4 by Molmil
S. CEREVISIAE CYP51 COMPLEXED WITH Courmarin-containing INHIBITOR
Descriptor: 7-(diethylamino)-N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)propyl]-2-oxo-2H-1-benzopyran-3-carboxamide, Lanosterol 14-alpha demethylase, PENTAETHYLENE GLYCOL, ...
Authors:Ruma, Y.N, Keniya, M.V, Tyndall, J.D, Monk, B.C.
Deposit date:2022-07-06
Release date:2022-08-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:S. CEREVISIAE CYP51 COMPLEXED WITH Courmarin-containing INHIBITOR
To Be Published
1OXA
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BU of 1oxa by Molmil
CYTOCHROME P450 (DONOR:O2 OXIDOREDUCTASE)
Descriptor: 6-DEOXYERYTHRONOLIDE B, CYTOCHROME P450 ERYF, PROTOPORPHYRIN IX CONTAINING FE
Authors:Cupp-Vickery, J.R, Poulos, T.L.
Deposit date:1995-07-14
Release date:1995-12-07
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of cytochrome P450eryF involved in erythromycin biosynthesis.
Nat.Struct.Biol., 2, 1995

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