PDB: 1371 resultsInfo pagesStatus searchChemie searchBIRD

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6FMO	Crystal structure of the substrate (obtusifoliol)-bound and ligand-free I105F mutant of sterol 14-alpha demethylase (CYP51) from Trypanosoma cruzi Descriptor: Obtusifoliol, PROTOPORPHYRIN IX CONTAINING FE, Sterol 14alpha-demethylase Authors: Hargrove, T.Y, Wawrzak, Z, Lepesheva, G.I. Deposit date: 2018-02-01 Release date: 2018-10-24 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (3.18 Å) Cite: Binding of a physiological substrate causes large-scale conformational reorganization in cytochrome P450 51. J. Biol. Chem., 293, 2018
6C93	Effects of the E310A Mutation of Cytochrome P450 4B1 (CYP4B1) on n-Octane binding and Heme Ruffling Descriptor: Cytochrome P450 4B1, N-OCTANE, PROTOPORPHYRIN IX CONTAINING FE Authors: Hsu, M.-H, Johnson, E.F. Deposit date: 2018-01-25 Release date: 2018-06-20 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (2.674 Å) Cite: Noncovalent interactions dominate dynamic heme distortion in cytochrome P450 4B1. J. Biol. Chem., 293, 2018
6C94	Structure Of Cytochrome P450 4B1 (CYP4B1) Complexed with the Inhibitor HET0016 Descriptor: Cytochrome P450 4B1, N-(4-butyl-2-methylphenyl)-N'-hydroxyimidoformamide, PROTOPORPHYRIN IX CONTAINING FE Authors: Hsu, M.-H, Johnson, E.F. Deposit date: 2018-01-25 Release date: 2018-06-20 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (2.72 Å) Cite: Noncovalent interactions dominate dynamic heme distortion in cytochrome P450 4B1. J. Biol. Chem., 293, 2018
6C3H	The crystal structure of 4-n-heptylbenzoate-bound CYP199A4 Descriptor: 4-heptylbenzoic acid, CHLORIDE ION, Cytochrome P450, ... Authors: Coleman, T, Bruning, J.B, Bell, S.G. Deposit date: 2018-01-09 Release date: 2019-01-16 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (1.705 Å) Cite: The crystal structure of 4-n-heptylbenzoate-bound CYP199A4 To Be Published
6C3J	The crystal structure of 4-(thiophen-3-yl)benzoate-bound CYP199A4 Descriptor: 4-(thiophen-3-yl)benzoic acid, CHLORIDE ION, Cytochrome P450, ... Authors: Coleman, T, Bruning, J.B, Bell, S.G. Deposit date: 2018-01-09 Release date: 2019-01-16 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (1.66 Å) Cite: The crystal structure of 4-(thiophen-3-yl)benzoate-bound CYP199A4 To Be Published
6C2D	The crystal structure of 4-cyclohexylbenzoate-bound CYP199A4 Descriptor: 4-cyclohexylbenzoic acid, CHLORIDE ION, Cytochrome P450, ... Authors: Coleman, T, Bruning, J.B, Bell, S.G. Deposit date: 2018-01-08 Release date: 2019-01-16 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (1.79 Å) Cite: The crystal structure of 4-cyclohexylbenzoate-bound CYP199A4 To Be Published
6BWW	Crystal structure of an acetate and Cymal-5 bound cytochrome P450 2B4 F429H mutant Descriptor: 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, ACETATE ION, Cytochrome P450 2B4, ... Authors: Yang, Y.T, Waskell, L. Deposit date: 2017-12-15 Release date: 2018-12-19 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Structure of cytochrome P450 2B4 with an acetate ligand and an active site hydrogen bond network similar to oxyferrous P450cam. J.Inorg.Biochem., 185, 2018
6F88	Crystal structure of cytochrome P450 CYP260A1 (S276N) bound with progesterone Descriptor: Cytochrome P450 CYP260A1, PROGESTERONE, PROTOPORPHYRIN IX CONTAINING FE Authors: Jozwik, I.K, Thunnissen, A.M.W.H. Deposit date: 2017-12-12 Release date: 2018-03-14 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (1.75 Å) Cite: Structure-Based Engineering of Steroidogenic CYP260A1 for Stereo- and Regioselective Hydroxylation of Progesterone. ACS Chem. Biol., 13, 2018
6F8C	Crystal structure of cytochrome P450 CYP260A1 (S276I) bound with progesterone Descriptor: Cytochrome P450 CYP260A1, PROGESTERONE, PROTOPORPHYRIN IX CONTAINING FE Authors: Jozwik, I.K, Thunnissen, A.M.W.H. Deposit date: 2017-12-12 Release date: 2018-03-14 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Structure-Based Engineering of Steroidogenic CYP260A1 for Stereo- and Regioselective Hydroxylation of Progesterone. ACS Chem. Biol., 13, 2018
6F85	Crystal structure of cytochrome P450 CYP260A1 (S276N) bound with histidine Descriptor: Cytochrome P450 CYP260A1, HISTIDINE, PROTOPORPHYRIN IX CONTAINING FE Authors: Jozwik, I.K, Thunnissen, A.M.W.H. Deposit date: 2017-12-12 Release date: 2018-03-14 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (2.05 Å) Cite: Structure-Based Engineering of Steroidogenic CYP260A1 for Stereo- and Regioselective Hydroxylation of Progesterone. ACS Chem. Biol., 13, 2018
6F8A	Crystal structure of cytochrome P450 CYP260A1 (S276I) bound with histidine Descriptor: Cytochrome P450 CYP260A1, HISTIDINE, PROTOPORPHYRIN IX CONTAINING FE Authors: Jozwik, I.K, Thunnissen, A.M.W.H. Deposit date: 2017-12-12 Release date: 2018-03-14 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (1.35 Å) Cite: Structure-Based Engineering of Steroidogenic CYP260A1 for Stereo- and Regioselective Hydroxylation of Progesterone. ACS Chem. Biol., 13, 2018
6F0C	Cytochrome P450 TxtC employs substrate conformational switching for sequential aliphatic and aromatic thaxtomin hydroxylation Descriptor: (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, ... Authors: Fulop, V. Deposit date: 2017-11-17 Release date: 2018-12-12 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Binding of Distinct Substrate Conformations Enables Hydroxylation of Remote Sites in Thaxtomin D by Cytochrome P450 TxtC. J.Am.Chem.Soc., 141, 2019
6F0B	Cytochrome P450 TxtC employs substrate conformational switching for sequential aliphatic and aromatic thaxtomin hydroxylation Descriptor: (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 Authors: Fulop, V. Deposit date: 2017-11-17 Release date: 2018-12-12 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (2.8 Å) Cite: Binding of Distinct Substrate Conformations Enables Hydroxylation of Remote Sites in Thaxtomin D by Cytochrome P450 TxtC. J.Am.Chem.Soc., 141, 2019
5YSW	Crystal Structure Analysis of Rif16 in complex with R-L Descriptor: (2S,12E,14E,16S,17S,18R,19R,20R,21S,22R,23S,24E)-21-(acetyloxy)-5,6,17,19-tetrahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,11-dioxo-1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-9-yl hydroxyacetate, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE Authors: Li, F.W, Qi, F.F, Xiao, Y.L, Zhao, G.P, Li, S.Y. Deposit date: 2017-11-15 Release date: 2018-07-04 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (2.6 Å) Cite: Deciphering the late steps of rifamycin biosynthesis. Nat Commun, 9, 2018
5YSM	Crystal Structure Analysis of Rif16 Descriptor: Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE Authors: Li, F.W, Qi, F.F, Xiao, Y.L, Zhao, G.P, Li, S.Y. Deposit date: 2017-11-14 Release date: 2018-07-04 Last modified: 2024-03-27 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Deciphering the late steps of rifamycin biosynthesis. Nat Commun, 9, 2018
6BLD	Mycobacterium marinum cytochrome P450 CYP268A2 in complex with pseudoionone Descriptor: (3E,5E)-6,10-dimethylundeca-3,5,9-trien-2-one, Cytochrome P450 268A2 Cyp268A2, PROTOPORPHYRIN IX CONTAINING FE Authors: Child, S.A, Bruning, J.B, Bell, S.G. Deposit date: 2017-11-09 Release date: 2018-01-24 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (1.997 Å) Cite: Structural and functional characterisation of the cytochrome P450 enzyme CYP268A2 from Biochem. J., 475, 2018
5YQA	The crystal structure of CYP199A4 binding with 4-n-Propyl benzoic acid Descriptor: 4-propylbenzoic acid, CHLORIDE ION, Cytochrome P450, ... Authors: Zhou, W, Zhang, T, Qiao, R, Bell, S, Coleman, T. Deposit date: 2017-11-06 Release date: 2019-02-27 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (1.38 Å) Cite: The crystal structure of CYP199A4 binding with 4-n-Propyl benzoic acid To Be Published
5YQH	The crystal structure of CYP199A4 binding with 4-n-Propyl benzoic acid Descriptor: 4-methoxybenzamide, CHLORIDE ION, Cytochrome P450, ... Authors: Zhou, W, Zhang, T, Qiao, R, Bell, S, Coleman, T. Deposit date: 2017-11-06 Release date: 2019-02-27 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (2.3 Å) Cite: The crystal structure of CYP199A4 binding with 4-n-Propyl benzoic acid To Be Published
6BDH	Crystal structure of human CYP3A4 bound to an inhibitor Descriptor: Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl [(2S)-1-{[(2S)-3-oxo-2-(phenylamino)-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}-3-phenylpropan-2-yl]carbamate Authors: Sevrioukova, I. Deposit date: 2017-10-23 Release date: 2017-12-13 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (2.25 Å) Cite: Interaction of the rationally designed ritonavir-like inhibitors with human cytochrome P450 3A4: Impact of the side group interplay Mol. Pharm., 2017
6BDM	Crystal structure of human CYP3A4 bound to an inhibitor Descriptor: Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl [(2S)-1-(1H-indol-3-yl)-3-{[(2S)-3-oxo-2-(phenylamino)-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}propan-2-yl]carbamate Authors: Sevrioukova, I. Deposit date: 2017-10-23 Release date: 2017-12-13 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (2.6 Å) Cite: Interaction of the rationally designed ritonavir-like inhibitors with human cytochrome P450 3A4: Impact of the side group interplay Mol. Pharm., 2017
6BDI	Crystal structure of human CYP3A4 bound to an inhibitor Descriptor: Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl [(2S)-1-(1H-indol-3-yl)-3-{[(2R)-3-oxo-2-[(propan-2-yl)amino]-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}propan-2-yl]carbamate Authors: Sevrioukova, I. Deposit date: 2017-10-23 Release date: 2017-12-13 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (2.57 Å) Cite: Interaction of the rationally designed ritonavir-like inhibitors with human cytochrome P450 3A4: Impact of the side group interplay Mol. Pharm., 2017
6BDK	Crystal structure of human CYP3A4 bound to an inhibitor Descriptor: Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl [(2S)-1-{[(2R)-2-(cyclopentylamino)-3-oxo-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}-3-(1H-indol-3-yl)propan-2-yl]carbamate Authors: Sevrioukova, I. Deposit date: 2017-10-23 Release date: 2017-12-13 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (2.67 Å) Cite: Inhibition of Human CYP3A4 by Rationally Designed Ritonavir-Like Compounds: Impact and Interplay of the Side Group Functionalities. Mol Pharm., 15, 2018
6BD7	Crystal structure of human CYP3A4 bound to an inhibitor Descriptor: Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl [(2S)-1-{[(2R)-3-oxo-2-[(propan-2-yl)amino]-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}-3-phenylpropan-2-yl]carbamate Authors: Sevrioukova, I. Deposit date: 2017-10-21 Release date: 2017-12-13 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (2.42 Å) Cite: Interaction of the rationally designed ritonavir-like inhibitors with human cytochrome P450 3A4: Impact of the side group interplay Mol. Pharm., 2017
6BD6	Crystal structure of human CYP3A4 bound to an inhibitor Descriptor: Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl (2-{[(2S)-3-oxo-2-(phenylamino)-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}ethyl)carbamate Authors: Sevrioukova, I. Deposit date: 2017-10-21 Release date: 2017-12-13 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (2.5 Å) Cite: Inhibition of Human CYP3A4 by Rationally Designed Ritonavir-Like Compounds: Impact and Interplay of the Side Group Functionalities. Mol Pharm., 15, 2018
6BD5	Crystal structure of human CYP3A4 bound to an inhibitor Descriptor: Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl (2-{[(2R)-2-(cyclopentylamino)-3-oxo-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}ethyl)carbamate Authors: Sevrioukova, I. Deposit date: 2017-10-21 Release date: 2017-12-13 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (2.5 Å) Cite: Inhibition of Human CYP3A4 by Rationally Designed Ritonavir-Like Compounds: Impact and Interplay of the Side Group Functionalities. Mol Pharm., 15, 2018

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