PDB: 1371 resultsInfo pagesStatus searchChemie searchBIRD

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5IK1	Open state of P450cam after soaking in camphor Descriptor: CAMPHOR, Camphor 5-monooxygenase, PROTOPORPHYRIN IX CONTAINING FE Authors: Mahomed, M, Goodin, D.B, Lee, Y.-T. Deposit date: 2016-03-03 Release date: 2016-05-04 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (1.53 Å) Cite: Effector Roles of Putidaredoxin on Cytochrome P450cam Conformational States. J.Am.Chem.Soc., 138, 2016
5IBG	Crystal structure Mycobacterium tuberculosis CYP121 in complex with inhibitor fragment 25b Descriptor: 3'-amino-5-[5-amino-3-(4-hydroxyphenyl)-1H-pyrazol-4-yl][1,1'-biphenyl]-2-ol, Cytochrome P450 121 CYP121, PROTOPORPHYRIN IX CONTAINING FE, ... Authors: Levy, C. Deposit date: 2016-02-22 Release date: 2016-04-06 Last modified: 2024-05-01 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Fragment-Based Approaches to the Development of Mycobacterium tuberculosis CYP121 Inhibitors. J.Med.Chem., 59, 2016
5IBF	Crystal structure Mycobacterium tuberculosis CYP121 in complex with inhibitor fragment 19a Descriptor: 4-(3'-amino[1,1'-biphenyl]-3-yl)-1H-pyrazol-5-amine, Mycocyclosin synthase, PROTOPORPHYRIN IX CONTAINING FE, ... Authors: Levy, C. Deposit date: 2016-02-22 Release date: 2016-04-06 Last modified: 2024-05-01 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Fragment-Based Approaches to the Development of Mycobacterium tuberculosis CYP121 Inhibitors. J.Med.Chem., 59, 2016
5IBD	Crystal structure Mycobacterium tuberculosis CYP121 in complex with inhibitor fragment 24a Descriptor: 4-(3'-amino[1,1'-biphenyl]-3-yl)-3-(4-methoxyphenyl)-1H-pyrazol-5-amine, Mycocyclosin synthase, PROTOPORPHYRIN IX CONTAINING FE, ... Authors: Levy, C. Deposit date: 2016-02-22 Release date: 2016-04-06 Last modified: 2024-05-01 Method: X-RAY DIFFRACTION (1.77 Å) Cite: Fragment-Based Approaches to the Development of Mycobacterium tuberculosis CYP121 Inhibitors. J.Med.Chem., 59, 2016
5IBH	Crystal structure Mycobacterium tuberculosis CYP121 in complex with inhibitor fragment 26h Descriptor: 4,4'-(5-{[(1H-imidazol-4-yl)methyl]amino}-1H-pyrazole-3,4-diyl)diphenol, Cytochrome P450 121 CYP121, PROTOPORPHYRIN IX CONTAINING FE, ... Authors: Levy, C. Deposit date: 2016-02-22 Release date: 2016-04-06 Last modified: 2024-05-01 Method: X-RAY DIFFRACTION (2.0201 Å) Cite: Fragment-Based Approaches to the Development of Mycobacterium tuberculosis CYP121 Inhibitors. J.Med.Chem., 59, 2016
5IBI	Crystal structure Mycobacterium tuberculosis CYP121 in complex with inhibitor fragment 26a Descriptor: 4,4'-(5-{[(4-hydroxyphenyl)methyl]amino}-1H-pyrazole-3,4-diyl)diphenol, Cytochrome P450 121 CYP121, PROTOPORPHYRIN IX CONTAINING FE, ... Authors: Levy, C. Deposit date: 2016-02-22 Release date: 2016-04-06 Last modified: 2024-05-01 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Fragment-Based Approaches to the Development of Mycobacterium tuberculosis CYP121 Inhibitors. J.Med.Chem., 59, 2016
5IBE	Crystal structure Mycobacterium tuberculosis CYP121 in complex with inhibitor fragment 25a Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-[5-amino-4-(3'-amino[1,1'-biphenyl]-3-yl)-1H-pyrazol-3-yl]phenol, Mycocyclosin synthase, ... Authors: Levy, C. Deposit date: 2016-02-22 Release date: 2016-04-06 Last modified: 2024-05-01 Method: X-RAY DIFFRACTION (1.624 Å) Cite: Fragment-Based Approaches to the Development of Mycobacterium tuberculosis CYP121 Inhibitors. J.Med.Chem., 59, 2016
5IBJ	Crystal structure Mycobacterium tuberculosis CYP121 in complex with inhibitor fragment 6 Descriptor: 4-{5-[(4-hydroxyphenyl)amino]-1H-pyrazol-3-yl}phenol, Cytochrome P450 121 CYP121, PROTOPORPHYRIN IX CONTAINING FE, ... Authors: Levy, C. Deposit date: 2016-02-22 Release date: 2016-04-06 Last modified: 2024-05-01 Method: X-RAY DIFFRACTION (2.5 Å) Cite: Fragment-Based Approaches to the Development of Mycobacterium tuberculosis CYP121 Inhibitors. J.Med.Chem., 59, 2016
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
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
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
5HS1	Saccharomyces cerevisiae CYP51 (Lanosterol 14-alpha demethylase) complexed with Voriconazole Descriptor: Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE, Voriconazole Authors: Sabherwal, M, Sagatova, A, Keniya, M.V, Wilson, R.K, Tyndall, J.D.A, Monk, B.C. Deposit date: 2016-01-24 Release date: 2016-06-01 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Triazole resistance mediated by mutations of a conserved active site tyrosine in fungal lanosterol 14 alpha-demethylase. Sci Rep, 6, 2016
5HIW	Sorangium cellulosum So Ce56 cytochrome P450 260B1 Descriptor: Cytochrome P450 CYP260B1, MAGNESIUM ION, PROTOPORPHYRIN IX CONTAINING FE Authors: Salamanca-Pinzon, S.G, Carius, Y, Khatri, Y, Bernhardt, R, Lancaster, C.R.D. Deposit date: 2016-01-12 Release date: 2016-08-03 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.85 Å) Cite: Structure-function analysis for the hydroxylation of Delta 4 C21-steroids by the myxobacterial CYP260B1. Febs Lett., 590, 2016
5HH3	OxyA from Actinoplanes teichomyceticus Descriptor: ACETATE ION, GLYCEROL, OxyA protein, ... Authors: Haslinger, K, Cryle, M.J. Deposit date: 2016-01-09 Release date: 2016-02-10 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Structure of OxyAtei : completing our picture of the glycopeptide antibiotic producing Cytochrome P450 cascade. Febs Lett., 590, 2016
5HDI	Structural characterization of CYP144A1, a Mycobacterium tuberculosis cytochrome P450 Descriptor: Cytochrome P450 144, PROTOPORPHYRIN IX CONTAINING FE Authors: Chenge, J, Driscoll, M.D, McLean, K.J, Munro, A.W, Leys, D. Deposit date: 2016-01-05 Release date: 2016-05-04 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.54 Å) Cite: Structural characterization of CYP144A1 - a cytochrome P450 enzyme expressed from alternative transcripts in Mycobacterium tuberculosis. Sci Rep, 6, 2016
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
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
5EX9	Structure of P450 StaF from glycopeptide antibiotic A47934 biosynthesis; glycerol cryo Descriptor: Cytochrome P450, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE Authors: Cryle, M.J, Ulrich, V. Deposit date: 2015-11-23 Release date: 2017-01-11 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Biochemical and structural characterisation of the second oxidative crosslinking step during the biosynthesis of the glycopeptide antibiotic A47934. Beilstein J Org Chem, 12, 2016
5EX8	Structure of P450 StaF from glycopeptide antibiotic A47934 biosynthesis; ethylene glycol cryo Descriptor: 1,2-ETHANEDIOL, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE Authors: Cryle, M.J, Ulrich, V. Deposit date: 2015-11-23 Release date: 2017-01-11 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Biochemical and structural characterisation of the second oxidative crosslinking step during the biosynthesis of the glycopeptide antibiotic A47934. Beilstein J Org Chem, 12, 2016
5EX6	Structure of P450 StaH from glycopeptide antibiotic A47934 biosynthesis Descriptor: 1,2-ETHANEDIOL, Cytochrome P450, GLYCEROL, ... Authors: Cryle, M.J, Ulrich, V. Deposit date: 2015-11-23 Release date: 2016-08-03 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (2.4 Å) Cite: More than just recruitment: the X-domain influences catalysis of the first phenolic coupling reaction in A47934 biosynthesis by Cytochrome P450 StaH. Mol Biosyst, 12, 2016
5FOI	Crystal structure of mycinamicin VIII C21 methyl hydroxylase MycCI from Micromonospora griseorubida bound to mycinamicin VIII Descriptor: GLYCEROL, MYCINAMICIN VIII C21 METHYL HYDROXYLASE, Mycinamicin VIII, ... Authors: Demars, M, Sheng, F, Podust, L.M, Sherman, D.H. Deposit date: 2015-11-22 Release date: 2016-07-27 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (2.21 Å) Cite: Biochemical and Structural Characterization of Mycci, a Versatile P450 Biocatalyst from the Mycinamicin Biosynthetic Pathway. Acs Chem.Biol., 11, 2016
5ESI	Saccharomyces cerevisiae CYP51 (Lanosterol 14-alpha demethylase) G73W mutant Descriptor: Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE Authors: Sagatova, A, Keniya, M.V, Wilson, R, Sabherwal, M, Tyndall, J.D.A, Monk, B.C. Deposit date: 2015-11-16 Release date: 2016-11-23 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Impact of Homologous Resistance Mutations from Pathogenic Yeast on Saccharomyces cerevisiae Lanosterol 14 alpha-Demethylase. Antimicrob.Agents Chemother., 62, 2018
5ESE	Saccharomyces cerevisiae CYP51 (Lanosterol 14-alpha demethylase) G73R 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, Sabherwal, M, Tyndall, J.D.A, Monk, B.C. Deposit date: 2015-11-16 Release date: 2016-11-23 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Impact of Homologous Resistance Mutations from Pathogenic Yeast on Saccharomyces cerevisiae Lanosterol 14 alpha-Demethylase. Antimicrob.Agents Chemother., 62, 2018

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