1N97
| Crystal Structure of CYP175A1 from Thermus thermophillus strain HB27 | 分子名称: | 1,2-ETHANEDIOL, CYP175A1, PROTOPORPHYRIN IX CONTAINING FE, ... | 著者 | Yano, J.K, Blasco, F, Li, H, Schmid, R.D, Henne, A, Poulos, T.L. | 登録日 | 2002-11-22 | 公開日 | 2003-02-25 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Preliminary Characterization and Crystal Structure of a Thermostable Cytochrome P450 from Thermus thermophilus J.Biol.Chem., 278, 2003
|
|
1TQN
| Crystal Structure of Human Microsomal P450 3A4 | 分子名称: | PROTOPORPHYRIN IX CONTAINING FE, cytochrome P450 3A4 | 著者 | Yano, J.K, Wester, M.R, Schoch, G.A, Griffin, K.J, Stout, C.D, Johnson, E.F. | 登録日 | 2004-06-17 | 公開日 | 2004-07-27 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | The Structure of Human Microsomal Cytochrome P450 3A4 Determined by X-ray Crystallography to 2.05-A Resolution J.Biol.Chem., 279, 2004
|
|
1Z10
| Crystal Structure of Human Microsomal P450 2A6 with Coumarin Bound | 分子名称: | COUMARIN, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ... | 著者 | Yano, J.K, Hsu, M.H, Griffin, K.J, Stout, C.D, Johnson, E.F. | 登録日 | 2005-03-02 | 公開日 | 2005-08-16 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structures of human microsomal cytochrome P450 2A6 complexed with coumarin and methoxsalen Nat.Struct.Mol.Biol., 12, 2005
|
|
1Z11
| Crystal Structure of Human Microsomal P450 2A6 with Methoxsalen Bound | 分子名称: | METHOXSALEN, PROTOPORPHYRIN IX CONTAINING FE, cytochrome P450, ... | 著者 | Yano, J.K, Hsu, M.H, Griffin, K.J, Stout, C.D, Johnson, E.F. | 登録日 | 2005-03-02 | 公開日 | 2005-08-16 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Structures of human microsomal cytochrome P450 2A6 complexed with coumarin and methoxsalen Nat.Struct.Mol.Biol., 12, 2005
|
|
1F4U
| THERMOPHILIC P450: CYP119 FROM SULFOLOBUS SOLFACTARICUS | 分子名称: | CYTOCHROME P450 119, IMIDAZOLE, PROTOPORPHYRIN IX CONTAINING FE, ... | 著者 | Yano, J.K, Koo, L.S, Schuller, D.J, Li, H, Ortiz de Montellano, P.R, Poulos, T.L. | 登録日 | 2000-06-09 | 公開日 | 2000-10-23 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.69 Å) | 主引用文献 | Crystal structure of a thermophilic cytochrome P450 from the archaeon Sulfolobus solfataricus. J.Biol.Chem., 275, 2000
|
|
1F4T
| THERMOPHILIC P450: CYP119 FROM SULFOLOBUS SOLFACTARICUS WITH 4-PHENYLIMIDAZOLE BOUND | 分子名称: | 4-PHENYL-1H-IMIDAZOLE, CYTOCHROME P450 119, PROTOPORPHYRIN IX CONTAINING FE, ... | 著者 | Yano, J.K, Koo, L.S, Schuller, D.J, Li, H, Ortiz de Montellano, P.R, Poulos, T.L. | 登録日 | 2000-06-09 | 公開日 | 2000-10-23 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | 主引用文献 | Crystal structure of a thermophilic cytochrome P450 from the archaeon Sulfolobus solfataricus. J.Biol.Chem., 275, 2000
|
|
2FDV
| Microsomal P450 2A6 with the inhibitor N-Methyl(5-(pyridin-3-yl)furan-2-yl)methanamine bound | 分子名称: | 1,2-ETHANEDIOL, Cytochrome P450 2A6, N-METHYL(5-(PYRIDIN-3-YL)FURAN-2-YL)METHANAMINE, ... | 著者 | Yano, J.K, Stout, C.D, Johnson, E.F. | 登録日 | 2005-12-14 | 公開日 | 2006-11-28 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Synthetic Inhibitors of Cytochrome P-450 2A6: Inhibitory Activity, Difference Spectra, Mechanism of Inhibition, and Protein Cocrystallization. J.Med.Chem., 49, 2006
|
|
2FDY
| Microsomal P450 2A6 with the inhibitor Adrithiol bound | 分子名称: | 4,4'-DIPYRIDYL DISULFIDE, Cytochrome P450 2A6, PROTOPORPHYRIN IX CONTAINING FE, ... | 著者 | Yano, J.K, Stout, C.D, Johnson, E.F. | 登録日 | 2005-12-14 | 公開日 | 2006-11-28 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Synthetic Inhibitors of Cytochrome P-450 2A6: Inhibitory Activity, Difference Spectra, Mechanism of Inhibition, and Protein Cocrystallization. J.Med.Chem., 49, 2006
|
|
2FDW
| Crystal Structure Of Human Microsomal P450 2A6 with the inhibitor (5-(Pyridin-3-yl)furan-2-yl)methanamine bound | 分子名称: | (5-(PYRIDIN-3-YL)FURAN-2-YL)METHANAMINE, Cytochrome P450 2A6, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Yano, J.K, Stout, C.D, Johnson, E.F. | 登録日 | 2005-12-14 | 公開日 | 2006-11-28 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Synthetic Inhibitors of Cytochrome P-450 2A6: Inhibitory Activity, Difference Spectra, Mechanism of Inhibition, and Protein Cocrystallization. J.Med.Chem., 49, 2006
|
|
2FDU
| Microsomal P450 2A6 with the inhibitor N,N-Dimethyl(5-(pyridin-3-yl)furan-2-yl)methanamine bound | 分子名称: | Cytochrome P450 2A6, N,N-DIMETHYL(5-(PYRIDIN-3-YL)FURAN-2-YL)METHANAMINE, PROTOPORPHYRIN IX CONTAINING FE, ... | 著者 | Yano, J.K, Stout, C.D, Johnson, E.F. | 登録日 | 2005-12-14 | 公開日 | 2006-11-28 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Synthetic Inhibitors of Cytochrome P-450 2A6: Inhibitory Activity, Difference Spectra, Mechanism of Inhibition, and Protein Cocrystallization. J.Med.Chem., 49, 2006
|
|
2VN0
| CYP2C8DH COMPLEXED WITH TROGLITAZONE | 分子名称: | (5R)-5-(4-{[(2R)-6-HYDROXY-2,5,7,8-TETRAMETHYL-3,4-DIHYDRO-2H-CHROMEN-2-YL]METHOXY}BENZYL)-1,3-THIAZOLIDINE-2,4-DIONE, CYTOCHROME P450 2C8, PALMITIC ACID, ... | 著者 | Schoch, G.A, Yano, J.K, Sansen, S, Stout, C.D, Johnson, E.F. | 登録日 | 2008-01-30 | 公開日 | 2008-04-29 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Determinants of cytochrome P450 2C8 substrate binding: structures of complexes with montelukast, troglitazone, felodipine, and 9-cis-retinoic acid. J. Biol. Chem., 283, 2008
|
|
9BG1
| Tri-complex of Compound-3, KRAS G12V, and CypA | 分子名称: | (2R)-N-[(1P,7S,9S,13R,20M)-21-ethyl-20-{2-[(1S)-1-methoxyethyl]pyridin-3-yl}-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-3-methyl-2-(N-methylacetamido)butanamide (non-preferred name), GTPase KRas, MAGNESIUM ION, ... | 著者 | Tomlinson, A.C.A, Saldajeno-Concar, M, Knox, J.E, Yano, J.K. | 登録日 | 2024-04-18 | 公開日 | 2024-06-12 | 最終更新日 | 2024-06-26 | 実験手法 | X-RAY DIFFRACTION (1.51 Å) | 主引用文献 | Tri-complex of Compound-3, KRAS G12V, and CypA To be published
|
|
9BFY
| Tri-complex of Compound-12, KRAS G12C, and CypA | 分子名称: | (3R)-N-[(2S)-1-{[(1M,8R,10R,14S,21M)-22-ethyl-4-hydroxy-21-{2-[(1R)-1-methoxyethyl]pyridin-3-yl}-18,18-dimethyl-9,15-dioxo-16-oxa-10,22,28-triazapentacyclo[18.5.2.1~2,6~.1~10,14~.0~23,27~]nonacosa-1(25),2(29),3,5,20,23,26-heptaen-8-yl]amino}-3-methyl-1-oxobutan-2-yl]-N-methyl-1-propanoylpyrrolidine-3-carboxamide (non-preferred name), CHLORIDE ION, GTPase KRas, ... | 著者 | Tomlinson, A.C.A, Saldajeno-Concar, M, Knox, J.E, Yano, J.K. | 登録日 | 2024-04-18 | 公開日 | 2024-06-12 | 最終更新日 | 2024-06-26 | 実験手法 | X-RAY DIFFRACTION (1.26 Å) | 主引用文献 | Tri-complex of Compound-12, KRAS G12C, and CypA To be published
|
|
9AX6
| Tricomplex of RMC-6236, KRAS G12D, and CypA | 分子名称: | (1R,2S)-N-[(1P,7S,9S,13R,20M)-21-ethyl-20-{2-[(1R)-1-methoxyethyl]-5-(4-methylpiperazin-1-yl)pyridin-3-yl}-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-2-methylcyclopropane-1-carboxamide, GTPase KRas, MAGNESIUM ION, ... | 著者 | Tomlinson, A.C.A, Saldajeno-Concar, M, Knox, J.E, Yano, J.K. | 登録日 | 2024-03-05 | 公開日 | 2024-04-17 | 最終更新日 | 2024-06-12 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Translational and Therapeutic Evaluation of RAS-GTP Inhibition by RMC-6236 in RAS-Driven Cancers. Cancer Discov, 14, 2024
|
|
1R9O
| Crystal Structure of P4502C9 with Flurbiprofen bound | 分子名称: | Cytochrome P450 2C9, FLURBIPROFEN, GLYCEROL, ... | 著者 | Wester, M.R, Yano, J.K, Schoch, G.A, Griffin, K.J, Stout, C.D, Johnson, E.F. | 登録日 | 2003-10-30 | 公開日 | 2004-06-15 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | The Structure of Human Cytochrome P450 2C9 Complexed with Flurbiprofen at 2.0 A Resolution J.Biol.Chem., 279, 2004
|
|
1PQ2
| Crystal Structure of Human Drug Metabolizing Cytochrome P450 2C8 | 分子名称: | Cytochrome P450 2C8, PALMITIC ACID, PHOSPHATE ION, ... | 著者 | Schoch, G.A, Yano, J.K, Wester, M.R, Griffin, K.J, Stout, C.D, Johnson, E.F. | 登録日 | 2003-06-17 | 公開日 | 2004-01-13 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Structure of human microsomal cytochrome P450 2C8. Evidence for a peripheral fatty acid binding site J.Biol.Chem., 279, 2004
|
|
2HI4
| Crystal Structure of Human Microsomal P450 1A2 in complex with alpha-naphthoflavone | 分子名称: | 2-PHENYL-4H-BENZO[H]CHROMEN-4-ONE, Cytochrome P450 1A2, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Sansen, S, Yano, J.K, Reynald, R.L, Schoch, G.S, Stout, C.D, Johnson, E.F. | 登録日 | 2006-06-29 | 公開日 | 2007-02-20 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Adaptations for the oxidation of polycyclic aromatic hydrocarbons exhibited by the structure of human P450 1A2. J.Biol.Chem., 282, 2007
|
|
8TBF
| Tricomplex of RMC-7977, KRAS WT, and CypA | 分子名称: | (1R,5S,6r)-N-[(1P,7S,9S,13S,20M)-20-{5-(4-cyclopropylpiperazin-1-yl)-2-[(1S)-1-methoxyethyl]pyridin-3-yl}-21-ethyl-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide, 1,2-ETHANEDIOL, GTPase KRas, ... | 著者 | Tomlinson, A.C.A, Chen, A, Knox, J.E, Yano, J.K. | 登録日 | 2023-06-28 | 公開日 | 2024-02-07 | 最終更新日 | 2024-06-05 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Concurrent inhibition of oncogenic and wild-type RAS-GTP for cancer therapy. Nature, 629, 2024
|
|
2NNH
| CYP2C8dH complexed with 2 molecules of 9-cis retinoic acid | 分子名称: | (9cis)-retinoic acid, Cytochrome P450 2C8, PALMITIC ACID, ... | 著者 | Schoch, G.A, Yano, J.K, Stout, C.D, Johnson, E.F. | 登録日 | 2006-10-24 | 公開日 | 2007-10-23 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Determinants of cytochrome P450 2C8 substrate binding: structures of complexes with montelukast, troglitazone, felodipine, and 9-cis-retinoic acid. J.Biol.Chem., 283, 2008
|
|
2NNJ
| CYP2C8dH complexed with felodipine | 分子名称: | Cytochrome P450 2C8, FELODIPINE, PALMITIC ACID, ... | 著者 | Schoch, G.A, Yano, J.K, Stout, C.D, Johnson, E.F. | 登録日 | 2006-10-24 | 公開日 | 2007-10-23 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.28 Å) | 主引用文献 | Determinants of cytochrome P450 2C8 substrate binding: structures of complexes with montelukast, troglitazone, felodipine, and 9-cis-retinoic acid. J.Biol.Chem., 283, 2008
|
|
2NNI
| CYP2C8dH complexed with montelukast | 分子名称: | Cytochrome P450 2C8, MONTELUKAST, PALMITIC ACID, ... | 著者 | Schoch, G.A, Yano, J.K, Stout, C.D, Johnson, E.F. | 登録日 | 2006-10-24 | 公開日 | 2007-10-23 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Determinants of cytochrome P450 2C8 substrate binding: structures of complexes with montelukast, troglitazone, felodipine, and 9-cis-retinoic acid. J.Biol.Chem., 283, 2008
|
|
5IDQ
| |
5EQZ
| |
4DBN
| Crystal Structure of the Kinase domain of Human B-raf with a [1,3]thiazolo[5,4-b]pyridine derivative | 分子名称: | 2-chloro-3-(1-cyanocyclopropyl)-N-[5-({2-[(cyclopropylcarbonyl)amino][1,3]thiazolo[5,4-b]pyridin-5-yl}oxy)-2-fluorophenyl]benzamide, Serine/threonine-protein kinase B-raf | 著者 | Yano, J.K, Aertgeerts, K. | 登録日 | 2012-01-16 | 公開日 | 2012-04-11 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (3.15 Å) | 主引用文献 | Design and synthesis of novel DFG-out RAF/vascular endothelial growth factor receptor 2 (VEGFR2) inhibitors. 1. Exploration of [5,6]-fused bicyclic scaffolds. J.Med.Chem., 55, 2012
|
|
4FC0
| Crystal Structure of Human Kinase Domain of B-raf with a DFG-out Inhibitor | 分子名称: | 2-chloro-3-[(2-cyanopropan-2-yl)oxy]-N-{5-[{2-[(cyclopropylcarbonyl)amino][1,3]thiazolo[5,4-b]pyridin-5-yl}(methyl)amino]-2-fluorophenyl}benzamide, Serine/threonine-protein kinase B-raf | 著者 | Yano, J.K, Aertgeerts, K. | 登録日 | 2012-05-23 | 公開日 | 2014-01-08 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.95 Å) | 主引用文献 | Design and synthesis of novel DFG-out RAF/vascular endothelial growth factor receptor 2 (VEGFR2) inhibitors: 3. Evaluation of 5-amino-linked thiazolo[5,4-d]pyrimidine and thiazolo[5,4-b]pyridine derivatives. Bioorg.Med.Chem., 20, 2012
|
|