3TDA
 
 | | Competitive replacement of thioridazine by prinomastat in crystals of cytochrome P450 2D6 | | 分子名称: | Cytochrome P450 2D6, PROTOPORPHYRIN IX CONTAINING FE, Prinomastat, ... | | 著者 | Wang, A, Stout, C.D, Johnson, E.F. | | 登録日 | 2011-08-10 | | 公開日 | 2012-08-15 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.67 Å) | | 主引用文献 | Contributions of Ionic Interactions and Protein Dynamics to Cytochrome P450 2D6 (CYP2D6) Substrate and Inhibitor Binding.
J.Biol.Chem., 290, 2015
|
|
3TBG
 | | Human cytochrome P450 2D6 with two thioridazines bound in active site | | 分子名称: | 10-{2-[(2R)-1-methylpiperidin-2-yl]ethyl}-2-(methylsulfanyl)-10H-phenothiazine, Cytochrome P450 2D6, GLYCEROL, ... | | 著者 | Wang, A, Stout, C.D, Johnson, E.F. | | 登録日 | 2011-08-05 | | 公開日 | 2012-08-08 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Contributions of Ionic Interactions and Protein Dynamics to Cytochrome P450 2D6 (CYP2D6) Substrate and Inhibitor Binding.
J.Biol.Chem., 290, 2015
|
|
3TMZ
 | | Crystal Structure of P450 2B4(H226Y) in complex with Amlodipine | | 分子名称: | 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Amlodipine, Cytochrome P450 2B4, ... | | 著者 | Shah, M.B, Pascual, J, Stout, C.D, Halpert, J.R. | | 登録日 | 2011-09-01 | | 公開日 | 2012-09-12 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.248 Å) | | 主引用文献 | Conformational Adaptation of Human Cytochrome P450 2B6 and Rabbit Cytochrome P450 2B4 Revealed upon Binding Multiple Amlodipine Molecules.
Biochemistry, 51, 2012
|
|
3UA5
 | |
4TVG
 | | HIV Protease (PR) dimer in closed form with pepstatin in active site and fragment AK-2097 in the outside/top of flap | | 分子名称: | 3-(morpholin-4-ylmethyl)-1H-indole-6-carboxylic acid, GLYCEROL, HIV Protease, ... | | 著者 | Tiefenbrunn, T, Kislukhin, A, Finn, M.G, Stout, C.D. | | 登録日 | 2014-06-26 | | 公開日 | 2014-09-24 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.18 Å) | | 主引用文献 | Distinguishing Binders from False Positives by Free Energy Calculations: Fragment Screening Against the Flap Site of HIV Protease.
J.Phys.Chem.B, 119, 2015
|
|
4TVH
 | | HIV Protease (PR) dimer in closed form with TL-3 in active site and fragment AK-2097 in the outside/top of flap | | 分子名称: | 3-(morpholin-4-ylmethyl)-1H-indole-6-carboxylic acid, BETA-MERCAPTOETHANOL, Protease, ... | | 著者 | Tiefenbrunn, T, Kislukhin, A, Finn, M.G, Stout, C.D. | | 登録日 | 2014-06-26 | | 公開日 | 2014-09-17 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.195 Å) | | 主引用文献 | Distinguishing Binders from False Positives by Free Energy Calculations: Fragment Screening Against the Flap Site of HIV Protease.
J.Phys.Chem.B, 119, 2015
|
|
4ZV8
 | | Structure of CYP2B6 (Y226H/K262R) with additional mutation Y244W in complex with alpha-Pinene | | 分子名称: | (+)-alpha-Pinene, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B6, ... | | 著者 | Liu, J, Shah, M.B, Stout, C.D, Halpert, J.R. | | 登録日 | 2015-05-18 | | 公開日 | 2016-03-30 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.24 Å) | | 主引用文献 | Coumarin Derivatives as Substrate Probes of Mammalian Cytochromes P450 2B4 and 2B6: Assessing the Importance of 7-Alkoxy Chain Length, Halogen Substitution, and Non-Active Site Mutations.
Biochemistry, 55, 2016
|
|
3MDR
 | | Tranylcypromine complex of Cytochrome P450 46A1 | | 分子名称: | (1R,2S)-2-phenylcyclopropanamine, Cholesterol 24-hydroxylase, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Mast, N, Charvet, C, Pikuleva, I, Stout, C.D. | | 登録日 | 2010-03-30 | | 公開日 | 2010-07-28 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structural basis of drug binding to CYP46A1, an enzyme that controls cholesterol turnover in the brain.
J.Biol.Chem., 285, 2010
|
|
3MDT
 | | Voriconazole complex of Cytochrome P450 46A1 | | 分子名称: | Cholesterol 24-hydroxylase, PROTOPORPHYRIN IX CONTAINING FE, Voriconazole | | 著者 | Mast, N, Charvet, C, Pikuleva, I, Stout, C.D. | | 登録日 | 2010-03-30 | | 公開日 | 2010-07-28 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structural basis of drug binding to CYP46A1, an enzyme that controls cholesterol turnover in the brain.
J.Biol.Chem., 285, 2010
|
|
3MDM
 | | Thioperamide complex of Cytochrome P450 46A1 | | 分子名称: | Cholesterol 24-hydroxylase, N-cyclohexyl-4-(1H-imidazol-5-yl)piperidine-1-carbothioamide, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Mast, N, Charvet, C, Pikuleva, I, Stout, C.D. | | 登録日 | 2010-03-30 | | 公開日 | 2010-07-28 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Structural basis of drug binding to CYP46A1, an enzyme that controls cholesterol turnover in the brain.
J.Biol.Chem., 285, 2010
|
|
3MDV
 | | Clotrimazole complex of Cytochrome P450 46A1 | | 分子名称: | 1-[(2-CHLOROPHENYL)(DIPHENYL)METHYL]-1H-IMIDAZOLE, Cholesterol 24-hydroxylase, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Mast, N, Charvet, C, Pikuleva, I, Stout, C.D. | | 登録日 | 2010-03-30 | | 公開日 | 2010-07-28 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Structural basis of drug binding to CYP46A1, an enzyme that controls cholesterol turnover in the brain.
J.Biol.Chem., 285, 2010
|
|
5E0E
 | |
5E58
 | | Crystal Structure Of Cytochrome P450 2B35 from Desert Woodrat Neotoma Lepida in complex with 4-(4-chlorophenyl)imidazole | | 分子名称: | 4-(4-CHLOROPHENYL)IMIDAZOLE, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 family 2 subfamily B, ... | | 著者 | Shah, M.B, Stout, C.D, Halpert, J.R. | | 登録日 | 2015-10-08 | | 公開日 | 2016-02-10 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Structure-Function Analysis of Mammalian CYP2B Enzymes Using 7-Substituted Coumarin Derivatives as Probes: Utility of Crystal Structures and Molecular Modeling in Understanding Xenobiotic Metabolism.
Mol.Pharmacol., 89, 2016
|
|
5EM4
 | | Structure of CYP2B4 F244W in a ligand free conformation | | 分子名称: | 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Shah, M.B, Stout, C.D, Halpert, J.R. | | 登録日 | 2015-11-05 | | 公開日 | 2016-03-23 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (3.02 Å) | | 主引用文献 | Coumarin Derivatives as Substrate Probes of Mammalian Cytochromes P450 2B4 and 2B6: Assessing the Importance of 7-Alkoxy Chain Length, Halogen Substitution, and Non-Active Site Mutations.
Biochemistry, 55, 2016
|
|
2O8V
 | | PAPS reductase in a covalent complex with thioredoxin C35A | | 分子名称: | Phosphoadenosine phosphosulfate reductase, Thioredoxin 1 | | 著者 | Chartron, J, Shiau, C, Stout, C.D, Carroll, K.S. | | 登録日 | 2006-12-12 | | 公開日 | 2007-03-27 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | 3'-Phosphoadenosine-5'-phosphosulfate Reductase in Complex with Thioredoxin: A Structural Snapshot in the Catalytic Cycle.
Biochemistry, 46, 2007
|
|
2P85
 | |
2PC0
 | | Apo Wild-type HIV Protease in the open conformation | | 分子名称: | MAGNESIUM ION, Protease, R-1,2-PROPANEDIOL | | 著者 | Heaslet, H, Rosenfeld, R, Giffin, M.J, Elder, J.H, McRee, D.E, Stout, C.D. | | 登録日 | 2007-03-29 | | 公開日 | 2007-06-26 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Conformational flexibility in the flap domains of ligand-free HIV protease.
Acta Crystallogr.,Sect.D, 63, 2007
|
|
2PG5
 | | Crystal Structure of Human Microsomal P450 2A6 N297Q | | 分子名称: | 1,2-ETHANEDIOL, Cytochrome P450 2A6, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Sansen, S, Hsu, M.H, Stout, C.D, Johnson, E.F. | | 登録日 | 2007-04-06 | | 公開日 | 2007-07-24 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Structural insight into the altered substrate specificity of human cytochrome P450 2A6 mutants.
Arch.Biochem.Biophys., 464, 2007
|
|
2PG7
 | | Crystal Structure of Human Microsomal P450 2A6 N297Q/I300V | | 分子名称: | Cytochrome P450 2A6, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Sansen, S, Hsu, M.H, Stout, C.D, Johnson, E.F. | | 登録日 | 2007-04-06 | | 公開日 | 2007-07-24 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Structural insight into the altered substrate specificity of human cytochrome P450 2A6 mutants.
Arch.Biochem.Biophys., 464, 2007
|
|
2PG6
 | | Crystal Structure of Human Microsomal P450 2A6 L240C/N297Q | | 分子名称: | Cytochrome P450 2A6, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Sansen, S, Hsu, M.H, Stout, C.D, Johnson, E.F. | | 登録日 | 2007-04-06 | | 公開日 | 2007-07-24 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.53 Å) | | 主引用文献 | Structural insight into the altered substrate specificity of human cytochrome P450 2A6 mutants.
Arch.Biochem.Biophys., 464, 2007
|
|
2Q6N
 | | Structure of Cytochrome P450 2B4 with Bound 1-(4-cholorophenyl)imidazole | | 分子名称: | 1-(4-CHLOROPHENYL)-1H-IMIDAZOLE, Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Zhao, Y, Sun, L, Muralidhara, B.K, Kumar, S, White, M.A, Stout, C.D, Halpert, J.R. | | 登録日 | 2007-06-05 | | 公開日 | 2007-11-06 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | Structural and thermodynamic consequences of 1-(4-chlorophenyl)imidazole binding to cytochrome P450 2B4.
Biochemistry, 46, 2007
|
|
2QPE
 | | An unexpected outcome of surface-engineering an integral membrane protein: Improved crystallization of cytochrome ba3 oxidase from Thermus thermophilus | | 分子名称: | COPPER (I) ION, Cytochrome c oxidase polypeptide 2A, Cytochrome c oxidase subunit 1, ... | | 著者 | Liu, B, Luna, V.M, Chen, Y, Stout, C.D, Fee, J.A. | | 登録日 | 2007-07-23 | | 公開日 | 2007-12-11 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | An unexpected outcome of surface engineering an integral membrane protein: improved crystallization of cytochrome ba(3) from Thermus thermophilus.
Acta Crystallogr.,Sect.F, 63, 2007
|
|
3QJR
 | | The structure of and photolytic induced changes of carbon monoxide binding to the cytochrome ba3-oxidase from Thermus thermophilus | | 分子名称: | CARBON MONOXIDE, COPPER (I) ION, Cytochrome c oxidase polypeptide 2A, ... | | 著者 | Liu, B, Zhang, Y, Sage, J.T, Doukov, T, Chen, Y, Stout, C.D, Fee, J.A. | | 登録日 | 2011-01-30 | | 公開日 | 2012-01-25 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | Structural changes that occur upon photolysis of the Fe(II)(a3)-CO complex in the cytochrome ba(3)-oxidase of Thermus thermophilus: A combined X-ray crystallographic and infrared spectral study demonstrates CO binding to Cu(B).
Biochim.Biophys.Acta, 1817, 2012
|
|
3QJV
 | | The structure of and photolytic induced changes of carbon monoxide binding to the cytochrome ba3-oxidase from Thermus thermophilus | | 分子名称: | CARBON MONOXIDE, COPPER (I) ION, Cytochrome c oxidase polypeptide 2A, ... | | 著者 | Liu, B, Zhang, Y, Sage, J.T, Doukov, T, Chen, Y, Stout, C.D, Fee, J.A. | | 登録日 | 2011-01-30 | | 公開日 | 2012-01-25 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Structural changes that occur upon photolysis of the Fe(II)(a3)-CO complex in the cytochrome ba(3)-oxidase of Thermus thermophilus: A combined X-ray crystallographic and infrared spectral study demonstrates CO binding to Cu(B).
Biochim.Biophys.Acta, 1817, 2012
|
|
3QJS
 | | The structure of and photolytic induced changes of carbon monoxide binding to the cytochrome ba3-oxidase from Thermus thermophilus | | 分子名称: | CARBON MONOXIDE, COPPER (I) ION, Cytochrome c oxidase polypeptide 2A, ... | | 著者 | Liu, B, Zhang, Y, Sage, J.T, Doukov, T, Chen, Y, Stout, C.D, Fee, J.A. | | 登録日 | 2011-01-30 | | 公開日 | 2012-01-25 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Structural changes that occur upon photolysis of the Fe(II)(a3)-CO complex in the cytochrome ba(3)-oxidase of Thermus thermophilus: A combined X-ray crystallographic and infrared spectral study demonstrates CO binding to Cu(B).
Biochim.Biophys.Acta, 1817, 2012
|
|
