5FYF
 
 | | Structure of CYP153A from Marinobacter aquaeolei | | Descriptor: | 1,2-ETHANEDIOL, CYTOCHROME P450, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Danesh Azari, H.R, Spandolf, C, Hoffman, S.M, Weissenborn, M, Hauer, B, Grogan, G. | | Deposit date: | 2016-03-07 | | Release date: | 2017-01-18 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Structure-Guided Redesign of CYP153AM.aqfor the Improved Terminal Hydroxylation of Fatty Acids
Chemcatchem, 2016
|
|
5E7Y
 | | Crystal structure of P450 BM3 heme domain M7 variant | | Descriptor: | Bifunctional P-450/NADPH-P450 reductase, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Panneerselvm, S, Shehzad, A, Bocola, M, Mueller-Dieckmann, J, Schwaneberg, U. | | Deposit date: | 2015-10-13 | | Release date: | 2017-01-25 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of P450 BM3 heme domain M7 variant
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
5T6Q
 | |
5UL0
 | | S. CEREVISIAE CYP51 COMPLEXED WITH VT-1161 | | Descriptor: | (R)-2-(2,4-Difluorophenyl)-1,1-difluoro-3-(1H-tetrazol-1-yl)-1-(5-(4-(2,2,2-trifluoroethoxy)phenyl)pyridin-2-yl)propan-2-ol, Lanosterol 14-alpha demethylase, PENTAETHYLENE GLYCOL, ... | | Authors: | Tyndall, J.D, Keniya, M.V, Sabherwal, M, Monk, B.C. | | Deposit date: | 2017-01-23 | | Release date: | 2017-02-15 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Azole Resistance Reduces Susceptibility to the Tetrazole Antifungal VT-1161.
Antimicrob.Agents Chemother., 63, 2019
|
|
5IRV
 | | Human cytochrome P450 17A1 bound to inhibitor VT-464 | | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, Steroid 17-alpha-hydroxylase/17,20 lyase, VT-464 | | Authors: | Scott, E.E, Petrunak, E.M. | | Deposit date: | 2016-03-14 | | Release date: | 2017-03-15 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3.098 Å) | | Cite: | Structural and Functional Evaluation of Clinically Relevant Inhibitors of Steroidogenic Cytochrome P450 17A1.
Drug Metab. Dispos., 45, 2017
|
|
5IRQ
 | |
5FSA
 | | Crystal structure of sterol 14-alpha demethylase (CYP51) from a pathogenic yeast Candida albicans in complex with the antifungal drug posaconazole | | Descriptor: | CYP51 VARIANT1, POSACONAZOLE, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Hargrove, T.Y, Wawrzak, Z, Friggeri, L, Lepesheva, G.I. | | Deposit date: | 2016-01-02 | | Release date: | 2017-03-15 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.86 Å) | | Cite: | Structural analyses of Candida albicans sterol 14 alpha-demethylase complexed with azole drugs address the molecular basis of azole-mediated inhibition of fungal sterol biosynthesis.
J. Biol. Chem., 292, 2017
|
|
5TZ1
 | | Crystal structure of sterol 14-alpha demethylase (CYP51) from Candida albicans in complex with the tetrazole-based antifungal drug candidate VT1161 (VT1) | | Descriptor: | (R)-2-(2,4-Difluorophenyl)-1,1-difluoro-3-(1H-tetrazol-1-yl)-1-(5-(4-(2,2,2-trifluoroethoxy)phenyl)pyridin-2-yl)propan-2-ol, PROTOPORPHYRIN IX CONTAINING FE, Sterol 14-alpha demethylase | | Authors: | Hargrove, T, Wawrzak, Z, Lepesheva, G. | | Deposit date: | 2016-11-21 | | Release date: | 2017-03-15 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural analyses of Candida albicans sterol 14 alpha-demethylase complexed with azole drugs address the molecular basis of azole-mediated inhibition of fungal sterol biosynthesis.
J. Biol. Chem., 292, 2017
|
|
5V5Z
 | | Structure of CYP51 from the pathogen Candida albicans | | 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: | Keniya, M.V, Sabherwal, M, Wilson, R.K, Sagatova, A.A, Tyndall, J.D.A, Monk, B.C. | | Deposit date: | 2017-03-15 | | Release date: | 2017-03-29 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystal Structures of Full-Length Lanosterol 14 alpha-Demethylases of Prominent Fungal Pathogens Candida albicans and Candida glabrata Provide Tools for Antifungal Discovery.
Antimicrob.Agents Chemother., 62, 2018
|
|
5UFG
 | | Crystal Structure of CYP2B6 (Y226H/K262R/I114V) in complex with myrtenyl bromide | | Descriptor: | (1S,5R)-2-(bromomethyl)-6,6-dimethylbicyclo[3.1.1]hept-2-ene, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B6, ... | | Authors: | Shah, M.B, Halpert, J.R. | | Deposit date: | 2017-01-04 | | Release date: | 2017-04-12 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Halogen-pi Interactions in the Cytochrome P450 Active Site: Structural Insights into Human CYP2B6 Substrate Selectivity.
ACS Chem. Biol., 12, 2017
|
|
5UEC
 | | Crystal Structure of CYP2B6 (Y226H/K262R) in complex with myrtenyl bromide. | | Descriptor: | (1S,5R)-2-(bromomethyl)-6,6-dimethylbicyclo[3.1.1]hept-2-ene, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B6, ... | | Authors: | Shah, M.B, Halpert, J.R. | | Deposit date: | 2016-12-30 | | Release date: | 2017-04-12 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Halogen-pi Interactions in the Cytochrome P450 Active Site: Structural Insights into Human CYP2B6 Substrate Selectivity.
ACS Chem. Biol., 12, 2017
|
|
5UAP
 | | Crystal Structure of CYP2B6 (Y226H/K262R) in complex with Bornyl Bromide | | Descriptor: | (1R,2R,4R)-2-bromo-1,7,7-trimethylbicyclo[2.2.1]heptane, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B6, ... | | Authors: | Shah, M.B, Halpert, J.R. | | Deposit date: | 2016-12-19 | | Release date: | 2017-04-12 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Halogen-pi Interactions in the Cytochrome P450 Active Site: Structural Insights into Human CYP2B6 Substrate Selectivity.
ACS Chem. Biol., 12, 2017
|
|
5UDA
 | |
5JKV
 | |
5JL6
 | |
5JL9
 | |
5JKW
 | |
5JL7
 | |
5FRB
 | | Crystal structure of sterol 14-alpha demethylase (CYP51B) from a pathogenic filamentous fungus Aspergillus fumigatus in complex with a tetrazole-based inhibitor VT-1598 | | Descriptor: | (R)-4-((4-((6-(2-(2,4-difluorophenyl)-1,1-difluoro-2-hydroxy-3-(1H-tetrazol-1-yl)propyl)pyridin-3-yl)ethynyl)phenoxy)methyl)benzonitrile, PROTOPORPHYRIN IX CONTAINING FE, STEROL 14-ALPHA DEMETHYLASE, ... | | Authors: | Hargrove, T.Y, Wawrzak, Z, Lepesheva, G.I. | | Deposit date: | 2015-12-16 | | Release date: | 2017-04-26 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.99 Å) | | Cite: | Crystal Structure of the New Investigational Drug Candidate VT-1598 in Complex with Aspergillus fumigatus Sterol 14 alpha-Demethylase Provides Insights into Its Broad-Spectrum Antifungal Activity.
Antimicrob. Agents Chemother., 61, 2017
|
|
5X7E
 | | Crystal structure of vitamin D hydroxylase cytochrome P450 105A1 (R84A mutant) in complex with 1,25-dihydroxyvitamin D2 | | Descriptor: | (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5S)-5,6-dimethyl-6-oxidanyl-hept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydr o-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol, PROTOPORPHYRIN IX CONTAINING FE, Vitamin D3 dihydroxylase | | Authors: | Hayashi, K, Yasuda, K, Shiro, Y, Sugimoto, H, Sakaki, T. | | Deposit date: | 2017-02-25 | | Release date: | 2017-05-10 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Production of an active form of vitamin D2 by genetically engineered CYP105A1
Biochem. Biophys. Res. Commun., 486, 2017
|
|
