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PDB: 1379 件
6F0B
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BU of 6f0b by Molmil
Cytochrome P450 TxtC employs substrate conformational switching for sequential aliphatic and aromatic thaxtomin hydroxylation
分子名称: (3~{S},6~{S})-1,4-dimethyl-3-[(4-nitro-1~{H}-indol-3-yl)methyl]-6-(phenylmethyl)piperazine-2,5-dione, Cytochrome P450 monooxygenase, PROTOPORPHYRIN IX CONTAINING FE
著者Fulop, V.
登録日2017-11-17
公開日2018-12-12
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Binding of Distinct Substrate Conformations Enables Hydroxylation of Remote Sites in Thaxtomin D by Cytochrome P450 TxtC.
J.Am.Chem.Soc., 141, 2019
6F8C
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Crystal structure of cytochrome P450 CYP260A1 (S276I) bound with progesterone
分子名称: Cytochrome P450 CYP260A1, PROGESTERONE, PROTOPORPHYRIN IX CONTAINING FE
著者Jozwik, I.K, Thunnissen, A.M.W.H.
登録日2017-12-12
公開日2018-03-14
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure-Based Engineering of Steroidogenic CYP260A1 for Stereo- and Regioselective Hydroxylation of Progesterone.
ACS Chem. Biol., 13, 2018
8ADR
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BU of 8adr by Molmil
Crystal structure of a staphylococcal orthologue of CYP134A1 (CYPX) in complex with a fragment
分子名称: Cytochrome P450 protein, PROTOPORPHYRIN IX CONTAINING FE, pyridin-3-ylboronic acid
著者Snee, M, Katariya, M, Levy, C.
登録日2022-07-11
公開日2023-08-16
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Crystal structure of a staphylococcal orthologue of CYP134A1 (CYPX) in complex with a fragment
To Be Published
8AE8
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BU of 8ae8 by Molmil
Crystal structure of a staphylococcal orthologue of CYP134A1 (CYPX) in complex with a heme-coordinated fragment
分子名称: 1~{H}-indol-5-ylmethanamine, Cytochrome P450 protein, PROTOPORPHYRIN IX CONTAINING FE
著者Snee, M, Katariya, M.
登録日2022-07-12
公開日2023-08-16
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Crystal structure of a staphylococcal orthologue of CYP134A1 (CYPX) in complex with a heme-coordinated fragment
To Be Published
8B2P
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BU of 8b2p by Molmil
CYP153A71 from Acinetobacter dieselolei bound to octanoic acid
分子名称: Cytochrome P450 alkane hydroxylase, OCTANOIC ACID (CAPRYLIC ACID), PROTOPORPHYRIN IX CONTAINING FE
著者Opperman, D.J, Tolmie, C.
登録日2022-09-14
公開日2022-11-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献CYP153A71 from Alcanivorax dieselolei: Oxidation beyond Monoterminal Hydroxylation of n-Alkanes
Catalysts, 2022
6F85
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BU of 6f85 by Molmil
Crystal structure of cytochrome P450 CYP260A1 (S276N) bound with histidine
分子名称: Cytochrome P450 CYP260A1, HISTIDINE, PROTOPORPHYRIN IX CONTAINING FE
著者Jozwik, I.K, Thunnissen, A.M.W.H.
登録日2017-12-12
公開日2018-03-14
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structure-Based Engineering of Steroidogenic CYP260A1 for Stereo- and Regioselective Hydroxylation of Progesterone.
ACS Chem. Biol., 13, 2018
6F8A
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BU of 6f8a by Molmil
Crystal structure of cytochrome P450 CYP260A1 (S276I) bound with histidine
分子名称: Cytochrome P450 CYP260A1, HISTIDINE, PROTOPORPHYRIN IX CONTAINING FE
著者Jozwik, I.K, Thunnissen, A.M.W.H.
登録日2017-12-12
公開日2018-03-14
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Structure-Based Engineering of Steroidogenic CYP260A1 for Stereo- and Regioselective Hydroxylation of Progesterone.
ACS Chem. Biol., 13, 2018
6FMO
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BU of 6fmo by Molmil
Crystal structure of the substrate (obtusifoliol)-bound and ligand-free I105F mutant of sterol 14-alpha demethylase (CYP51) from Trypanosoma cruzi
分子名称: Obtusifoliol, PROTOPORPHYRIN IX CONTAINING FE, Sterol 14alpha-demethylase
著者Hargrove, T.Y, Wawrzak, Z, Lepesheva, G.I.
登録日2018-02-01
公開日2018-10-24
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.18 Å)
主引用文献Binding of a physiological substrate causes large-scale conformational reorganization in cytochrome P450 51.
J. Biol. Chem., 293, 2018
6G5Q
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The structure of a carbohydrate active P450
分子名称: 6-O-methyl-beta-D-galactopyranose, Cytochrome P450, GLYCEROL, ...
著者Robb, C.S, Hehemann, J.H.
登録日2018-03-29
公開日2018-11-21
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Specificity and mechanism of carbohydrate demethylation by cytochrome P450 monooxygenases.
Biochem. J., 475, 2018
6G5O
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The structure of a carbohydrate active P450
分子名称: Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE
著者Robb, C.S, Hehemann, J.H.
登録日2018-03-29
公開日2018-11-21
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Specificity and mechanism of carbohydrate demethylation by cytochrome P450 monooxygenases.
Biochem. J., 475, 2018
6FSH
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BU of 6fsh by Molmil
Crystal structure of hybrid P450 OxyBtei(BC/FGvan)
分子名称: ACETATE ION, OxyB protein, POTASSIUM ION, ...
著者Brieke, C, Tarnawski, M, Greule, A, Cryle, M.J.
登録日2018-02-19
公開日2018-05-23
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Investigating Cytochrome P450 specificity during glycopeptide antibiotic biosynthesis through a homologue hybridization approach.
J. Inorg. Biochem., 185, 2018
6DA8
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BU of 6da8 by Molmil
Human CYP3A4 bound to an inhibitor
分子名称: Cytochrome P450 3A4, Nalpha-{(2S)-2-[(tert-butoxycarbonyl)amino]-3-phenylpropyl}-N-[(pyridin-3-yl)methyl]-D-phenylalaninamide, PROTOPORPHYRIN IX CONTAINING FE
著者Sevrioukova, I.F.
登録日2018-05-01
公開日2019-04-03
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.802 Å)
主引用文献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
6DWM
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BU of 6dwm by Molmil
Structure of Human Cytochrome P450 1A1 with Bergamottin
分子名称: 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, 4-{[(2E)-3,7-dimethylocta-2,6-dien-1-yl]oxy}-7H-furo[3,2-g][1]benzopyran-7-one, Cytochrome P450 1A1, ...
著者Bart, A.G, Scott, E.E.
登録日2018-06-26
公開日2018-10-03
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Structures of human cytochrome P450 1A1 with bergamottin and erlotinib reveal active-site modifications for binding of diverse ligands.
J. Biol. Chem., 293, 2018
6F0C
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BU of 6f0c by Molmil
Cytochrome P450 TxtC employs substrate conformational switching for sequential aliphatic and aromatic thaxtomin hydroxylation
分子名称: (3~{R},6~{S})-1,4-dimethyl-6-[(4-nitro-1~{H}-indol-3-yl)methyl]-3-oxidanyl-3-(phenylmethyl)piperazine-2,5-dione, Cytochrome P450 monooxygenase, OXYGEN MOLECULE, ...
著者Fulop, V.
登録日2017-11-17
公開日2018-12-12
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Binding of Distinct Substrate Conformations Enables Hydroxylation of Remote Sites in Thaxtomin D by Cytochrome P450 TxtC.
J.Am.Chem.Soc., 141, 2019
6FYJ
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BU of 6fyj by Molmil
Cytochrome P450 peroxygenase CYP152K6 in complex with Myristic Acid
分子名称: DI(HYDROXYETHYL)ETHER, Fatty-acid peroxygenase, MYRISTIC ACID, ...
著者Girvan, H.M, Poddar, H, Mclean, K.J, Leys, D, Munro, A.W.
登録日2018-03-12
公開日2018-08-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Structural and catalytic properties of the peroxygenase P450 enzyme CYP152K6 from Bacillus methanolicus.
J. Inorg. Biochem., 188, 2018
6G71
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Structure of CYP1232A24 from Arthrobacter sp.
分子名称: 1,2-ETHANEDIOL, Cytochrome P450, FE (III) ION, ...
著者Dubiel, P, Sharma, M, Klenk, J, Hauer, B, Grogan, G.
登録日2018-04-04
公開日2019-03-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Identification and characterization of cytochrome P450 1232A24 and 1232F1 from Arthrobacter sp. and their role in the metabolic pathway of papaverine.
J.Biochem., 166, 2019
6GEO
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BU of 6geo by Molmil
Crystal structure of Mycobacterium tuberculosis cytochrome P450 CYP121A1 in complex with Triazole Pyrazole inhibitor 10j
分子名称: 2-chloranyl-3-[4-(imidazol-1-ylmethyl)-1-phenyl-pyrazol-3-yl]-1~{H}-indole, Mycocyclosin synthase, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Levy, C.W.
登録日2018-04-27
公開日2019-08-07
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Design and Synthesis of Imidazole and Triazole Pyrazoles asMycobacterium TuberculosisCYP121A1 Inhibitors.
Chemistryopen, 8, 2019
6GEQ
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BU of 6geq by Molmil
Crystal structure of Mycobacterium tuberculosis cytochrome P450 CYP121A1 in complex with Triazole Pyrazole inhibitor 14a
分子名称: 1-phenyl-3-pyridin-4-yl-~{N}-(pyridin-4-ylmethyl)pyrazole-4-carboxamide, Mycocyclosin synthase, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Levy, C.W.
登録日2018-04-27
公開日2019-08-07
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Design and Synthesis of Imidazole and Triazole Pyrazoles asMycobacterium TuberculosisCYP121A1 Inhibitors.
Chemistryopen, 8, 2019
5KT1
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The crystal structure of 4-methylthiobenzoate-bound CYP199A4
分子名称: 4-methylsulfanylbenzoic acid, CHLORIDE ION, Cytochrome P450, ...
著者Coleman, T, Bruning, J.B, Bell, S.G.
登録日2016-07-11
公開日2018-01-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.015 Å)
主引用文献The crystal structure of 4-methylthiobenzoate-bound CYP199A4
To Be Published
5L94
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The 2.25 A crystal structure of CYP109E1 from Bacillus megaterium in complex with testosterone
分子名称: Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE, TESTOSTERONE
著者Jozwik, I.K, Thunnissen, A.M.W.H.
登録日2016-06-09
公開日2016-10-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structural basis of steroid binding and oxidation by the cytochrome P450 CYP109E1 from Bacillus megaterium.
Febs J., 283, 2016
5L1S
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BU of 5l1s by Molmil
X-ray Structure of F232L mutant of Cytochrome P450 PntM with pentalenolactone F
分子名称: PROTOPORPHYRIN IX CONTAINING FE, Pentalenolactone synthase, pentalenolactone F
著者Duan, L, Jogl, G, Cane, D.E.
登録日2016-07-29
公開日2016-09-14
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献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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X-ray Structure of 2-Mercaptoethanol modified M81C mutant of Cytochrome P450 PntM with pentalenolactone F
分子名称: PROTOPORPHYRIN IX CONTAINING FE, Pentalenolactone synthase, pentalenolactone F
著者Duan, L, Jogl, G, Cane, D.E.
登録日2016-07-29
公開日2016-09-14
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献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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Crystal Structure of CYP101J2
分子名称: CYP101J2, PROTOPORPHYRIN IX CONTAINING FE
著者Unterweger, B, Drinkwater, N, Dumsday, G.J, McGowan, S.
登録日2016-07-22
公開日2017-01-04
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献X-ray crystal structure of cytochrome P450 monooxygenase CYP101J2 from Sphingobium yanoikuyae strain B2.
Proteins, 85, 2017
5L91
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The 2.2 A crystal structure of CYP109E1 from Bacillus megaterium bound with four corticosterone molecules
分子名称: CORTICOSTERONE, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE
著者Jozwik, I.K, Thunnissen, A.M.W.H.
登録日2016-06-09
公開日2016-10-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural basis of steroid binding and oxidation by the cytochrome P450 CYP109E1 from Bacillus megaterium.
Febs J., 283, 2016
5L1V
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X-ray Structure of M81C mutant of Cytochrome P450 PntM with pentalenolactone F
分子名称: PROTOPORPHYRIN IX CONTAINING FE, Pentalenolactone synthase, pentalenolactone F
著者Duan, L, Jogl, G, Cane, D.E.
登録日2016-07-29
公開日2016-09-14
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献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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