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PDB: 1371 results

6UDL
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BU of 6udl by Molmil
Structure of Human Cytochrome P450 1A1 with Duocarmycin Prodrug (S) ICT-2700
Descriptor: Cytochrome P450 1A1, PROTOPORPHYRIN IX CONTAINING FE, [(1S)-1-(chloromethyl)-1,6-dihydropyrrolo[3,2-e]indol-3(2H)-yl](5-methoxy-1H-indol-2-yl)methanone
Authors:Bart, A.G, Scott, E.E.
Deposit date:2019-09-19
Release date:2020-09-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Cytochrome P450 binding and bioactivation of tumor-targeted duocarmycin agents
Drug Metab.Dispos., 2021
6U31
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BU of 6u31 by Molmil
The crystal structure of 4-(1H-imidazol-1-yl)benzoate-bound CYP199A4
Descriptor: 4-(1H-imidazol-1-yl)benzoic acid, CHLORIDE ION, Cytochrome P450, ...
Authors:Podgorski, M.N, Bruning, J.B, Bell, S.G.
Deposit date:2019-08-21
Release date:2020-08-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.578 Å)
Cite:To Be, or Not to Be, an Inhibitor: A Comparison of Azole Interactions with and Oxidation by a Cytochrome P450 Enzyme.
Inorg.Chem., 61, 2022
6UNH
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BU of 6unh by Molmil
Human CYP3A4 bound to an inhibitor
Descriptor: Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl [(2R)-1-(1H-indol-3-yl)-3-{[(2S)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate
Authors:Sevrioukova, I.F.
Deposit date:2019-10-11
Release date:2020-02-05
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:An increase in side-group hydrophobicity largely improves the potency of ritonavir-like inhibitors of CYP3A4.
Bioorg.Med.Chem., 28, 2020
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
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
6UPG
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BU of 6upg by Molmil
Crystal structure of Mycobacterium tuberculosis CYP121 in complex with cYF-4-OMe
Descriptor: (3~{S},6~{S})-3-[(4-hydroxyphenyl)methyl]-6-[(4-methoxyphenyl)methyl]piperazine-2,5-dione, Mycocyclosin synthase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Nguyen, R.C.D, Yang, Y, Liu, A.
Deposit date:2019-10-17
Release date:2020-04-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.393 Å)
Cite:Substrate-Assisted Hydroxylation and O-Demethylation in the Peroxidase-like Cytochrome P450 Enzyme CYP121
Acs Catalysis, 10, 2020
4ZFA
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BU of 4zfa by Molmil
Cytochrome P450 wild type from BM3 with bound PEG
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 (2.765 Å)
Cite:Effect of Mutation and Substrate Binding on the Stability of Cytochrome P450BM3 Variants.
Biochemistry, 55, 2016
4ZGX
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BU of 4zgx by Molmil
Structure of aldosterone synthase (CYP11B2) in complex with (+)-(R)-N-(4-(4-chloro-3-fluorophenyl)-5,6,7,8-tetrahydroisoquinolin-8-yl)propionamide
Descriptor: Cytochrome P450 11B2, mitochondrial, N-[(8R)-4-(4-chloro-3-fluorophenyl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide, ...
Authors:Kuglstatter, A, Joseph, C.
Deposit date:2015-04-24
Release date:2015-10-07
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Discovery of 4-Aryl-5,6,7,8-tetrahydroisoquinolines as Potent, Selective, and Orally Active Aldosterone Synthase (CYP11B2) Inhibitors: In Vivo Evaluation in Rodents and Cynomolgus Monkeys.
J.Med.Chem., 58, 2015
4Z5P
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BU of 4z5p by Molmil
Crystal structure of the LnmA cytochrome P450 hydroxylase from the leinamycin biosynthetic pathway of Streptomyces atroolivaceus S-140 at 1.9 A resolution
Descriptor: Cytochrome P450 hydroxylase, PROTOPORPHYRIN IX CONTAINING FE, TRIETHYLENE GLYCOL
Authors:Ma, M, Lohman, J, Rudolf, J, Miller, M.D, Cao, H, Osipiuk, J, Babnigg, G, Phillips Jr, G.N, Joachimiak, A, Shen, B, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro)
Deposit date:2015-04-02
Release date:2015-07-29
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of the LnmA cytochrome P450 hydroxylase from the leinamycin biosynthetic pathway of Streptomyces atroolivaceus S-140
To be Published
4ZF6
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BU of 4zf6 by Molmil
Cytochrome P450 pentamutant from BM3 with bound PEG
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 (2.773 Å)
Cite:Effect of Mutation and Substrate Binding on the Stability of Cytochrome P450BM3 Variants.
Biochemistry, 55, 2016
6UW2
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BU of 6uw2 by Molmil
Clotrimazole bound complex of Acanthamoeba castellanii CYP51
Descriptor: 1-[(2-CHLOROPHENYL)(DIPHENYL)METHYL]-1H-IMIDAZOLE, GUANIDINE, Obtusifoliol 14alphademethylase, ...
Authors:Sharma, V, Podust, L.M.
Deposit date:2019-11-04
Release date:2020-10-21
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.92 Å)
Cite:Domain-Swap Dimerization of Acanthamoeba castellanii CYP51 and a Unique Mechanism of Inactivation by Isavuconazole.
Mol.Pharmacol., 98, 2020
4ZDY
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BU of 4zdy by Molmil
Saccharomyces cerevisiae CYP51 (Lanosterol 14-alpha demethylase) Y140F mutant complexed with itraconazole
Descriptor: 2-[(2R)-butan-2-yl]-4-{4-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazin-1-yl]phenyl}-2,4-dihydro-3H-1,2,4-triazol-3-one, 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 (2.02 Å)
Cite:Triazole resistance mediated by mutations of a conserved active site tyrosine in fungal lanosterol 14 alpha-demethylase.
Sci Rep, 6, 2016
6UX0
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BU of 6ux0 by Molmil
Isavuconazole bound complex of Acanthamoeba castellanii CYP51
Descriptor: 4-{2-[(2R,3R)-3-(2,5-difluorophenyl)-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)butan-2-yl]-1,3-thiazol-4-yl}benzonitrile, FE (III) ION, Obtusifoliol 14alphademethylase, ...
Authors:Sharma, V, Podust, L.M.
Deposit date:2019-11-06
Release date:2020-10-21
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.93 Å)
Cite:Domain-Swap Dimerization of Acanthamoeba castellanii CYP51 and a Unique Mechanism of Inactivation by Isavuconazole.
Mol.Pharmacol., 98, 2020
6UPI
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BU of 6upi by Molmil
Crystal structure of Mycobacterium tuberculosis CYP121 bound with a hydroxylated intermediate of cYF-4-OMe
Descriptor: (3S,6S)-3-{[4-(hydroxymethoxy)phenyl]methyl}-6-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione, Mycocyclosin synthase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Nguyen, R.C.D, Yang, Y, Liu, A.
Deposit date:2019-10-17
Release date:2020-04-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.808 Å)
Cite:Substrate-Assisted Hydroxylation and O-Demethylation in the Peroxidase-like Cytochrome P450 Enzyme CYP121
Acs Catalysis, 10, 2020
4ZE3
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BU of 4ze3 by Molmil
Saccharomyces cerevisiae CYP51 (Lanosterol 14-alpha demethylase) Y140H 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, Monk, B.C, Tyndall, J.D.A.
Deposit date:2015-04-20
Release date:2016-03-30
Last modified:2023-09-27
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
6VBY
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BU of 6vby by Molmil
Cinnamate 4-hydroxylase (C4H1) from Sorghum bicolor
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Cinnamic acid 4-hydroxylase, GLYCEROL, ...
Authors:Zhang, B, Kang, C, Lewis, K.M.
Deposit date:2019-12-19
Release date:2020-05-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure and Function of the Cytochrome P450 Monooxygenase Cinnamate 4-hydroxylase fromSorghum bicolor.
Plant Physiol., 183, 2020
6U3K
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BU of 6u3k by Molmil
The crystal structure of 4-(pyridin-2-yl)benzoate-bound CYP199A4
Descriptor: 4-(pyridin-2-yl)benzoic acid, CHLORIDE ION, Cytochrome P450, ...
Authors:Podgorski, M.N, Bruning, J.B, Bell, S.G.
Deposit date:2019-08-21
Release date:2020-02-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Biophysical Techniques for Distinguishing Ligand Binding Modes in Cytochrome P450 Monooxygenases.
Biochemistry, 59, 2020
4ZE1
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BU of 4ze1 by Molmil
Saccharomyces cerevisiae CYP51 Y140F mutant complexed with posaconazole in the active site
Descriptor: Lanosterol 14-alpha demethylase, POSACONAZOLE, PROTOPORPHYRIN IX CONTAINING FE
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 (2.05 Å)
Cite:Triazole resistance mediated by mutations of a conserved active site tyrosine in fungal lanosterol 14 alpha-demethylase.
Sci Rep, 6, 2016
4ZE2
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BU of 4ze2 by Molmil
Saccharomyces cerevisiae CYP51 (Lanosterol 14-alpha demethylase) Y140H mutant complexed with itraconazole
Descriptor: 2-[(2R)-butan-2-yl]-4-{4-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazin-1-yl]phenyl}-2,4-dihydro-3H-1,2,4-triazol-3-one, Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Sagatova, A, Keniya, M.V, Wilson, R, Monk, B.C, Tyndall, J.D.A.
Deposit date:2015-04-20
Release date:2016-03-30
Last modified:2023-09-27
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
6UDM
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BU of 6udm by Molmil
Structure of Human Cytochrome P450 1A1 with Duocarmycin Prodrug (S) ICT-2726
Descriptor: 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, Cytochrome P450 1A1, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Bart, A.G, Scott, E.E.
Deposit date:2019-09-19
Release date:2020-09-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.075 Å)
Cite:Cytochrome P450 binding and bioactivation of tumor-targeted duocarmycin agents
Drug Metab.Dispos., 2021
6UNG
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BU of 6ung by Molmil
Human CYP3A4 bound to an inhibitor
Descriptor: Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl [(2S)-1-(naphthalen-1-yl)-3-{[(2R)-3-oxo-2-(phenylamino)-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}propan-2-yl]carbamate
Authors:Sevrioukova, I.F.
Deposit date:2019-10-11
Release date:2020-02-05
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:An increase in side-group hydrophobicity largely improves the potency of ritonavir-like inhibitors of CYP3A4.
Bioorg.Med.Chem., 28, 2020
6UNJ
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BU of 6unj by Molmil
Human CYP3A4 bound to an inhibitor
Descriptor: Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl [(2R)-1-(naphthalen-1-yl)-3-{[(2S)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate
Authors:Sevrioukova, I.
Deposit date:2019-10-12
Release date:2020-02-05
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:An increase in side-group hydrophobicity largely improves the potency of ritonavir-like inhibitors of CYP3A4.
Bioorg.Med.Chem., 28, 2020
4Z5Q
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BU of 4z5q by Molmil
Crystal structure of the LnmZ cytochrome P450 hydroxylase from the leinamycin biosynthetic pathway of Streptomyces atroolivaceus S-140 at 1.8 A resolution
Descriptor: 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, CHLORIDE ION, Cytochrome P450 hydroxylase, ...
Authors:Ma, M, Lohman, J, Rudolf, J, Miller, M.D, Cao, H, Osipiuk, J, Joachimiak, A, Phillips Jr, G.N, Shen, B, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro)
Deposit date:2015-04-02
Release date:2015-08-12
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.801 Å)
Cite:Crystal structure of the LnmZ cytochrome P450 hydroxylase from the leinamycin biosynthetic pathway of Streptomyces atroolivaceus S-140
To be Published
6UNL
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BU of 6unl by Molmil
CYP3A4 bound to an inhibitor
Descriptor: Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl [(2R)-1-(naphthalen-1-yl)-3-{[(2S)-3-(naphthalen-1-yl)-1-oxo-1-{[(pyridin-3-yl)methyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate
Authors:Sevrioukova, I.
Deposit date:2019-10-12
Release date:2020-02-05
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:An increase in side-group hydrophobicity largely improves the potency of ritonavir-like inhibitors of CYP3A4.
Bioorg.Med.Chem., 28, 2020

221716

数据于2024-06-26公开中

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