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PDB: 69 件
6VNY
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Crystal structure of TYK2 kinase with compound 10
分子名称: N-[(1S,5R)-3-(5-fluoro-2-{[1-(2-hydroxyethyl)-1H-pyrazol-4-yl]amino}pyrimidin-4-yl)-3-azabicyclo[3.1.0]hexan-1-yl]cyclopropanecarboxamide, Non-receptor tyrosine-protein kinase TYK2
著者Vajdos, F.F.
登録日2020-01-29
公開日2020-04-08
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Design and optimization of a series of 4-(3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-2-amines: Dual inhibitors of TYK2 and JAK1.
Bioorg.Med.Chem., 28, 2020
4WYO
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Crystal structure of human-yeast chimera acetyl coA carboxylase CT domain bound to Compound 1
分子名称: 2'-tert-butyl-1-(2H-indazol-5-ylcarbonyl)-2'H-spiro[piperidine-4,5'-pyrano[3,2-c]pyrazol]-7'(6'H)-one, Acetyl-CoA carboxylase
著者Vajdos, F.F.
登録日2014-11-17
公開日2015-01-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.89 Å)
主引用文献Decreasing the Rate of Metabolic Ketone Reduction in the Discovery of a Clinical Acetyl-CoA Carboxylase Inhibitor for the Treatment of Diabetes.
J.Med.Chem., 57, 2014
6W8L
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Crystal structure of JAK1 kinase with compound 10
分子名称: N-[(1S,5R)-3-(5-fluoro-2-{[1-(2-hydroxyethyl)-1H-pyrazol-4-yl]amino}pyrimidin-4-yl)-3-azabicyclo[3.1.0]hexan-1-yl]cyclopropanecarboxamide, Tyrosine-protein kinase JAK1
著者Vajdos, F.F.
登録日2020-03-20
公開日2020-04-08
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Design and optimization of a series of 4-(3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-2-amines: Dual inhibitors of TYK2 and JAK1.
Bioorg.Med.Chem., 28, 2020
6VNV
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Crystal structure of TYK2 kinase with compound 14
分子名称: (1S,2S)-2-cyano-N-[(1S,5R)-3-(5-fluoro-2-{[1-(2-hydroxyethyl)-1H-pyrazol-4-yl]amino}pyrimidin-4-yl)-3-azabicyclo[3.1.0]hexan-1-yl]cyclopropane-1-carboxamide, Non-receptor tyrosine-protein kinase TYK2
著者Vajdos, F.F.
登録日2020-01-29
公開日2020-04-08
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Design and optimization of a series of 4-(3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-2-amines: Dual inhibitors of TYK2 and JAK1.
Bioorg.Med.Chem., 28, 2020
6VNX
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Crystal structure of TYK2 kinase with compound 19
分子名称: (1S)-2,2-difluoro-N-[(1S,5R,6R)-3-{5-fluoro-2-[(1-methyl-1H-pyrazol-4-yl)amino]pyrimidin-4-yl}-6-methyl-3-azabicyclo[3.1.0]hexan-1-yl]cyclopropane-1-carboxamide, Non-receptor tyrosine-protein kinase TYK2
著者Vajdos, F.F.
登録日2020-01-29
公開日2020-04-08
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Design and optimization of a series of 4-(3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-2-amines: Dual inhibitors of TYK2 and JAK1.
Bioorg.Med.Chem., 28, 2020
6DB3
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JAK3 with Cyanamide CP23
分子名称: Tyrosine-protein kinase JAK3, [(1S)-1-methyl-6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,3-dihydro-1H-inden-1-yl]cyanamide
著者Vajdos, F.F.
登録日2018-05-02
公開日2018-11-28
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Identification of Cyanamide-Based Janus Kinase 3 (JAK3) Covalent Inhibitors.
J. Med. Chem., 61, 2018
6DUD
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JAK3 with cyanamide CP12
分子名称: N-[(1S)-6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,3-dihydro-1H-inden-1-yl]imidoformamide, SULFATE ION, Tyrosine-protein kinase JAK3
著者Vajdos, F.F.
登録日2018-06-20
公開日2018-11-28
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Identification of Cyanamide-Based Janus Kinase 3 (JAK3) Covalent Inhibitors.
J. Med. Chem., 61, 2018
6DB4
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JAK3 with Cyanamide CP34
分子名称: N-[(1S)-6-(5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,3-dihydro-1H-inden-1-yl]imidoformamide, Tyrosine-protein kinase JAK3
著者Vajdos, F.F.
登録日2018-05-02
公開日2018-11-28
最終更新日2019-05-01
実験手法X-RAY DIFFRACTION (1.662 Å)
主引用文献Identification of Cyanamide-Based Janus Kinase 3 (JAK3) Covalent Inhibitors.
J. Med. Chem., 61, 2018
6DA4
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JAK3 with Cyanamide CP10
分子名称: (Z)-1-{2,2-difluoro-6-[5-(2-methoxyethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2,3-dihydro-4H-1,4-benzoxazin-4-yl}methanimine, Tyrosine-protein kinase JAK3
著者Vajdos, F.F.
登録日2018-05-01
公開日2018-11-28
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Identification of Cyanamide-Based Janus Kinase 3 (JAK3) Covalent Inhibitors.
J. Med. Chem., 61, 2018
5TOZ
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JAK3 with covalent inhibitor PF-06651600
分子名称: 1-{(2S,5R)-2-methyl-5-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}propan-1-one, SULFATE ION, Tyrosine-protein kinase JAK3
著者Vajdos, F.F.
登録日2016-10-19
公開日2016-11-09
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Discovery of a JAK3-Selective Inhibitor: Functional Differentiation of JAK3-Selective Inhibition over pan-JAK or JAK1-Selective Inhibition.
ACS Chem. Biol., 11, 2016
5W6E
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PDE1b complexed with compound 3S
分子名称: 7,8-dimethoxy-N-[(2S)-1-(3-methyl-1H-pyrazol-5-yl)propan-2-yl]quinazolin-4-amine, Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B, MAGNESIUM ION, ...
著者Vajdos, F.F.
登録日2017-06-16
公開日2018-05-30
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery of Potent and Selective Periphery-Restricted Quinazoline Inhibitors of the Cyclic Nucleotide Phosphodiesterase PDE1.
J. Med. Chem., 61, 2018
6DBK
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Tyk2 with compound 8
分子名称: 4-({4-[(1S,4S)-5-(cyanoacetyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-2-yl}amino)-N-ethylbenzamide, Non-receptor tyrosine-protein kinase TYK2
著者Vajdos, F.F.
登録日2018-05-03
公開日2018-08-29
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Dual Inhibition of TYK2 and JAK1 for the Treatment of Autoimmune Diseases: Discovery of (( S)-2,2-Difluorocyclopropyl)((1 R,5 S)-3-(2-((1-methyl-1 H-pyrazol-4-yl)amino)pyrimidin-4-yl)-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone (PF-06700841).
J. Med. Chem., 61, 2018
6DBM
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BU of 6dbm by Molmil
Tyk2 with compound 23
分子名称: Non-receptor tyrosine-protein kinase TYK2, [(1S)-2,2-difluorocyclopropyl][(1R,5S)-3-{2-[(1-methyl-1H-pyrazol-4-yl)amino]pyrimidin-4-yl}-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone
著者Vajdos, F.F.
登録日2018-05-03
公開日2018-08-29
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.368 Å)
主引用文献Dual Inhibition of TYK2 and JAK1 for the Treatment of Autoimmune Diseases: Discovery of (( S)-2,2-Difluorocyclopropyl)((1 R,5 S)-3-(2-((1-methyl-1 H-pyrazol-4-yl)amino)pyrimidin-4-yl)-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone (PF-06700841).
J. Med. Chem., 61, 2018
6DBN
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Jak1 with compound 23
分子名称: Tyrosine-protein kinase JAK1, [(1S)-2,2-difluorocyclopropyl][(1R,5S)-3-{2-[(1-methyl-1H-pyrazol-4-yl)amino]pyrimidin-4-yl}-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone
著者Vajdos, F.F.
登録日2018-05-03
公開日2018-08-29
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Dual Inhibition of TYK2 and JAK1 for the Treatment of Autoimmune Diseases: Discovery of (( S)-2,2-Difluorocyclopropyl)((1 R,5 S)-3-(2-((1-methyl-1 H-pyrazol-4-yl)amino)pyrimidin-4-yl)-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone (PF-06700841).
J. Med. Chem., 61, 2018
1AWR
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CYPA COMPLEXED WITH HAGPIA
分子名称: CYCLOPHILIN A, PEPTIDE FROM THE HIV-1 CAPSID PROTEIN
著者Vajdos, F.F.
登録日1997-10-04
公開日1998-03-18
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Crystal structure of cyclophilin A complexed with a binding site peptide from the HIV-1 capsid protein.
Protein Sci., 6, 1997
1AWV
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CYPA COMPLEXED WITH HVGPIA
分子名称: CYCLOPHILIN A, PEPTIDE FROM THE HIV-1 CAPSID PROTEIN
著者Vajdos, F.F.
登録日1997-10-05
公開日1998-03-18
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Crystal structure of cyclophilin A complexed with a binding site peptide from the HIV-1 capsid protein.
Protein Sci., 6, 1997
1AWU
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CYPA COMPLEXED WITH HVGPIA (PSEUDO-SYMMETRIC MONOMER)
分子名称: CYCLOPHILIN A, PEPTIDE FROM THE HIV-1 CAPSID PROTEIN
著者Vajdos, F.F.
登録日1997-10-05
公開日1998-03-18
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Crystal structure of cyclophilin A complexed with a binding site peptide from the HIV-1 capsid protein.
Protein Sci., 6, 1997
1AWS
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BU of 1aws by Molmil
SECYPA COMPLEXED WITH HAGPIA (PSEUDO-SYMMETRIC MONOMER)
分子名称: CYCLOPHILIN A, PEPTIDE FROM THE HIV-1 CAPSID PROTEIN
著者Vajdos, F.F.
登録日1997-10-04
公開日1998-03-18
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Crystal structure of cyclophilin A complexed with a binding site peptide from the HIV-1 capsid protein.
Protein Sci., 6, 1997
1AWQ
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CYPA COMPLEXED WITH HAGPIA (PSEUDO-SYMMETRIC MONOMER)
分子名称: CYCLOPHILIN A, PEPTIDE FROM THE HIV-1 CAPSID PROTEIN
著者Vajdos, F.F.
登録日1997-10-04
公開日1998-03-18
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Crystal structure of cyclophilin A complexed with a binding site peptide from the HIV-1 capsid protein.
Protein Sci., 6, 1997
1AWT
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BU of 1awt by Molmil
SECYPA COMPLEXED WITH HAGPIA
分子名称: CYCLOPHILIN A, PEPTIDE FROM THE HIV-1 CAPSID PROTEIN
著者Vajdos, F.F.
登録日1997-10-05
公開日1998-03-18
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Crystal structure of cyclophilin A complexed with a binding site peptide from the HIV-1 capsid protein.
Protein Sci., 6, 1997
1S78
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Insights into ErbB signaling from the structure of the ErbB2-pertuzumab complex
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, Pertuzumab Fab heavy chain, ...
著者Franklin, M.C, Carey, K.D, Vajdos, F.F, Leahy, D.J, de Vos, A.M, Sliwkowski, M.X.
登録日2004-01-29
公開日2004-04-27
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (3.25 Å)
主引用文献Insights into ErbB signaling from the structure of the ErbB2-pertuzumab complex.
Cancer Cell, 5, 2004
1M9F
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BU of 1m9f by Molmil
X-ray crystal structure of Cyclophilin A/HIV-1 CA N-terminal domain (1-146) M-type H87A,A88M Complex.
分子名称: Cyclophilin A, HIV-1 Capsid
著者Howard, B.R, Vajdos, F.F, Li, S, Sundquist, W.I, Hill, C.P.
登録日2002-07-28
公開日2003-05-27
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Structural insights into the catalytic mechanism of cyclophilin A
Nat.Struct.Biol., 10, 2003
1M9D
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X-ray crystal structure of Cyclophilin A/HIV-1 CA N-terminal domain (1-146) O-type chimera Complex.
分子名称: Cyclophilin A, HIV-1 Capsid
著者Howard, B.R, Vajdos, F.F, Li, S, Sundquist, W.I, Hill, C.P.
登録日2002-07-28
公開日2003-05-27
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural insights into the catalytic mechanism of cyclophilin A
Nat.Struct.Biol., 10, 2003
1M9C
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BU of 1m9c by Molmil
X-ray crystal structure of Cyclophilin A/HIV-1 CA N-terminal domain (1-146) M-type Complex.
分子名称: Cyclophilin A, HIV-1 Capsid
著者Howard, B.R, Vajdos, F.F, Li, S, Sundquist, W.I, Hill, C.P.
登録日2002-07-28
公開日2003-05-27
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural insights into the catalytic mechanism of cyclophilin A
Nat.Struct.Biol., 10, 2003
1M9E
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BU of 1m9e by Molmil
X-ray crystal structure of Cyclophilin A/HIV-1 CA N-terminal domain (1-146) M-type H87A Complex.
分子名称: Cyclophilin A, HIV-1 Capsid
著者Howard, B.R, Vajdos, F.F, Li, S, Sundquist, W.I, Hill, C.P.
登録日2002-07-28
公開日2003-05-27
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Structural insights into the catalytic mechanism of cyclophilin A
Nat.Struct.Biol., 10, 2003

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