Loading
PDBj
English日本語简体中文繁體中文한국어
✖
ﾒﾆｭｰPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
PDB: 47 件
4DBN
DownloadVisualize
BU of 4dbn by Molmil
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
1Z11
DownloadVisualize
BU of 1z11 by Molmil
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
1TQN
DownloadVisualize
BU of 1tqn by Molmil
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
DownloadVisualize
BU of 1z10 by Molmil
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
1N97
DownloadVisualize
BU of 1n97 by Molmil
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
1F4U
DownloadVisualize
BU of 1f4u by Molmil
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
DownloadVisualize
BU of 1f4t by Molmil
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
2FDW
DownloadVisualize
BU of 2fdw by Molmil
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
DownloadVisualize
BU of 2fdu by Molmil
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
2FDV
DownloadVisualize
BU of 2fdv by Molmil
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
DownloadVisualize
BU of 2fdy by Molmil
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
4FC0
DownloadVisualize
BU of 4fc0 by Molmil
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
4KSP
DownloadVisualize
BU of 4ksp by Molmil
Crystal Structure of Human B-raf bound to a DFG-out Inhibitor TAK-632
分子名称: N-{7-cyano-6-[4-fluoro-3-({[3-(trifluoromethyl)phenyl]acetyl}amino)phenoxy]-1,3-benzothiazol-2-yl}cyclopropanecarboxamide, Serine/threonine-protein kinase B-raf
著者Yano, J.K, Masanori, O.
登録日2013-05-17
公開日2013-07-24
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.93 Å)
主引用文献Discovery of a Selective Kinase Inhibitor (TAK-632) Targeting Pan-RAF Inhibition: Design, Synthesis, and Biological Evaluation of C-7-Substituted 1,3-Benzothiazole Derivatives.
J.Med.Chem., 56, 2013
4KSQ
DownloadVisualize
BU of 4ksq by Molmil
Crystal Structure of Human B-raf bound to a DFG-out Inhibitor 5B
分子名称: N-{7-cyano-6-[4-fluoro-3-({[3-(trifluoromethyl)phenyl]carbamoyl}amino)phenoxy]-1,3-benzothiazol-2-yl}cyclopropanecarboxamide, Serine/threonine-protein kinase B-raf
著者Yano, J.K, Masanori, O.
登録日2013-05-17
公開日2013-07-24
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Discovery of a Selective Kinase Inhibitor (TAK-632) Targeting Pan-RAF Inhibition: Design, Synthesis, and Biological Evaluation of C-7-Substituted 1,3-Benzothiazole Derivatives.
J.Med.Chem., 56, 2013
3O95
DownloadVisualize
BU of 3o95 by Molmil
Crystal Structure of Human DPP4 Bound to TAK-100
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Yano, J.K, Aertgeerts, K.
登録日2010-08-03
公開日2011-01-26
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Discovery of a 3-Pyridylacetic Acid Derivative (TAK-100) as a Potent, Selective and Orally Active Dipeptidyl Peptidase IV (DPP-4) Inhibitor.
J.Med.Chem., 53, 2011
3OPM
DownloadVisualize
BU of 3opm by Molmil
Crystal Structure of Human DPP4 Bound to TAK-294
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-{[3-(aminomethyl)-2-(2-methylpropyl)-1-oxo-4-phenyl-1,2-dihydroisoquinolin-6-yl]oxy}acetamide, ...
著者Yano, J.K, Aertgeerts, K.
登録日2010-09-01
公開日2011-10-19
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.72 Å)
主引用文献Identification of 3-aminomethyl-1,2-dihydro-4-phenyl-1-isoquinolones: a new class of potent, selective, and orally active non-peptide dipeptidyl peptidase IV inhibitors that form a unique interaction with Lys554.
Bioorg.Med.Chem., 19, 2011
3O9V
DownloadVisualize
BU of 3o9v by Molmil
Crystal Structure of Human DPP4 Bound to TAK-986
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)pyridine-3-carboxic acid, ...
著者Yano, J.K, Aertgeerts, K.
登録日2010-08-04
公開日2011-02-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Discovery of a 3-Pyridylacetic Acid Derivative (TAK-100) as a Potent, Selective and Orally Active Dipeptidyl Peptidase IV (DPP-4) Inhibitor.
J.Med.Chem., 53, 2011
7UP6
DownloadVisualize
BU of 7up6 by Molmil
Crystal structure of C-terminal domain of MSK1 in complex with in covalently bound literature RSK2 inhibitor pyrrolopyrimidine cyanoacrylamide compound 25 (co-crystal)
分子名称: (E)-3-(3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl)-2-cyanoacrylamide bound form, OXAMIC ACID, Ribosomal protein S6 kinase alpha-5
著者Yano, J.K, Abendroth, J, Hall, A.
登録日2022-04-14
公開日2022-08-31
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Discovery and Characterization of a Novel Series of Chloropyrimidines as Covalent Inhibitors of the Kinase MSK1.
Acs Med.Chem.Lett., 13, 2022
7UP4
DownloadVisualize
BU of 7up4 by Molmil
Crystal structure of C-terminal Domain of MSK1 in complex with covalently bound pyrrolopyrimidine compound 20 (co-crystal)
分子名称: (5M)-5-(2,5-dichloropyrimidin-4-yl)-5H-pyrrolo[3,2-d]pyrimidine, Ribosomal protein S6 kinase alpha-5
著者Yano, J.K, Abendroth, J, Hall, A.
登録日2022-04-14
公開日2022-07-06
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Discovery and Characterization of a Novel Series of Chloropyrimidines as Covalent Inhibitors of the Kinase MSK1.
Acs Med.Chem.Lett., 13, 2022
7UP8
DownloadVisualize
BU of 7up8 by Molmil
Crystal structure of C-terminal Domain of MSK1 in complex with covalently bound pyrrolopyrimidine compound 27 (co-crystal)
分子名称: (5M)-5-(5-bromo-2-chloropyrimidin-4-yl)-5H-pyrrolo[3,2-d]pyrimidine, Ribosomal protein S6 kinase alpha-5
著者Yano, J.K, Abendroth, J, Hall, A.
登録日2022-04-14
公開日2022-07-06
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Discovery and Characterization of a Novel Series of Chloropyrimidines as Covalent Inhibitors of the Kinase MSK1.
Acs Med.Chem.Lett., 13, 2022
7UP5
DownloadVisualize
BU of 7up5 by Molmil
Crystal structure of C-terminal Domain of MSK1 in complex with covalently bound pyrrolopyrimidine compound 23 (co-crystal)
分子名称: (2M)-6-chloro-2-(5H-pyrrolo[3,2-d]pyrimidin-5-yl)pyridine-3-carbonitrile, IODIDE ION, Ribosomal protein S6 kinase alpha-5
著者Yano, J.K, Edwards, T.E, Hall, A.
登録日2022-04-14
公開日2022-07-06
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Discovery and Characterization of a Novel Series of Chloropyrimidines as Covalent Inhibitors of the Kinase MSK1.
Acs Med.Chem.Lett., 13, 2022
7UP7
DownloadVisualize
BU of 7up7 by Molmil
Crystal structure of C-terminal Domain of MSK1 in complex with covalently bound with literature RSK2 inhibitor indazole cyanoacrylamide compound 26 (soak)
分子名称: (2S)-2-cyano-N-(1-hydroxy-2-methylpropan-2-yl)-3-[3-(3,4,5-trimethoxyphenyl)-1H-indazol-5-yl]propanamide, Ribosomal protein S6 kinase alpha-5
著者Yano, J.K, Abendroth, J, Hall, A.
登録日2022-04-14
公開日2022-07-20
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Discovery and Characterization of a Novel Series of Chloropyrimidines as Covalent Inhibitors of the Kinase MSK1.
Acs Med.Chem.Lett., 13, 2022
9AX6
DownloadVisualize
BU of 9ax6 by Molmil
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
DownloadVisualize
BU of 1r9o by Molmil
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
9BFY
DownloadVisualize
BU of 9bfy by Molmil
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2024-10-16
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

 

12>

226707

件を2024-10-30に公開中

PDB statisticsPDBj update infoContact PDBjnumon