Author results

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2011-07-13
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
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2011-07-13
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
1AWS
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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2011-07-13
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
1AWT
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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2011-07-13
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
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2011-07-13
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
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2011-07-13
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
1IMX
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1.8 ANGSTROM CRYSTAL STRUCTURE OF IGF-1
分子名称:Insulin-like Growth Factor 1A, BROMIDE ION, N,N-BIS(3-D-GLUCONAMIDOPROPYL)DEOXYCHOLAMIDE
著者Vajdos, F.F., Ultsch, M., Schaffer, M.L., Deshayes, K.D., Liu, J., Skelton, N.J., de Vos, A.M.
登録日2001-05-11
公開日2001-09-05
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Crystal structure of human insulin-like growth factor-1: detergent binding inhibits binding protein interactions.
Biochemistry, 40, 2001
1L7I
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CRYSTAL STRUCTURE OF THE ANTI-ERBB2 FAB2C4
分子名称:chimera of Fab2C4: "humanized" murine monoclonal antibody, SULFATE ION
著者Vajdos, F.F., Adams, C.W., Breece, T.N., Presta, L.G., de Vos, A.M., Sidhu, S.S.
登録日2002-03-15
公開日2002-07-10
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Comprehensive functional maps of the antigen-binding site of an anti-ErbB2 antibody obtained with shotgun scanning mutagenesis.
J.Mol.Biol., 320, 2002
2OUZ
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CRYSTAL STRUCTURE OF ESTROGEN RECEPTOR ALPHA-LASOFOXIFENE COMPLEX
分子名称:Estrogen receptor, (5R,6S)-6-PHENYL-5-[4-(2-PYRROLIDIN-1-YLETHOXY)PHENYL]-5,6,7,8-TETRAHYDRONAPHTHALEN-2-OL
著者Vajdos, F.F., Pandit, J.
登録日2007-02-12
公開日2007-05-08
最終更新日2020-01-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The 2.0 A crystal structure of the ER{alpha} ligand-binding domain complexed with lasofoxifene
Protein Sci., 16, 2007
4WYO
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CRYSTAL STRUCTURE OF HUMAN-YEAST CHIMERA ACETYL COA CARBOXYLASE CT DOMAIN BOUND TO COMPOUND 1
分子名称:Acetyl-CoA carboxylase, 2'-tert-butyl-1-(2H-indazol-5-ylcarbonyl)-2'H-spiro[piperidine-4,5'-pyrano[3,2-c]pyrazol]-7'(6'H)-one
著者Vajdos, F.F.
登録日2014-11-17
公開日2015-01-14
最終更新日2017-11-22
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
4WZ8
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CRYSTAL STRUCTURE OF HUMAN-YEAST CHIMERA ACETYL COA CARBOXYLASE CT DOMAIN BOUND TO COMPOUND 6
分子名称:Acetyl-CoA carboxylase, 1'-(2H-indazol-5-ylcarbonyl)-1-(propan-2-yl)-1,4-dihydrospiro[indazole-5,4'-piperidin]-7(6H)-one
著者Vajdos, F.F.
登録日2014-11-18
公開日2014-12-10
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (2.23 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
5CTB
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HUMANIZED YEAST ACC CARBOXYLTRANSFERASE DOMAIN BOUND TO 6,7-DIMETHYL-1'-[(7-METHYL-1H-INDAZOL-5-YL)CARBONYL]SPIRO[CHROMENE-2,4'-PIPERIDIN]-4(3H)-ONE
分子名称:Acetyl-CoA carboxylase, 6,7-dimethyl-1'-[(7-methyl-1H-indazol-5-yl)carbonyl]spiro[chromene-2,4'-piperidin]-4(3H)-one, SULFATE ION
著者Vajdos, F.F.
登録日2015-07-23
公開日2015-10-14
最終更新日2015-11-11
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discovery of spirocyclic-diamine inhibitors of mammalian acetyl CoA-carboxylase.
Bioorg.Med.Chem.Lett., 25, 2015
5CTC
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HUMANIZED YEAST ACC CARBOXYLTRANSFERASE DOMAIN BOUND TO TERT-BUTYL 7-[(7-METHYL-1H-INDAZOL-5-YL)CARBONYL]-2,7-DIAZASPIRO[3.5]NONANE-2-CARBOXYLATE
分子名称:Acetyl-CoA carboxylase, tert-butyl 7-[(7-methyl-1H-indazol-5-yl)carbonyl]-2,7-diazaspiro[3.5]nonane-2-carboxylate, SULFATE ION
著者Vajdos, F.F.
登録日2015-07-23
公開日2015-10-14
最終更新日2015-11-11
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Discovery of spirocyclic-diamine inhibitors of mammalian acetyl CoA-carboxylase.
Bioorg.Med.Chem.Lett., 25, 2015
5CTE
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HUMANIZED YEAST ACC CARBOXYLTRANSFERASE DOMAIN BOUND TO 2,2-DIMETHYLPROPYL (1S)-1-METHYL-8-[(7-METHYL-1H-INDAZOL-5-YL)CARBONYL]-2,8-DIAZASPIRO[4.5]DECANE-2-CARBOXYLATE
分子名称:Acetyl-CoA carboxylase, 2,2-dimethylpropyl (1S)-1-methyl-8-[(7-methyl-1H-indazol-5-yl)carbonyl]-2,8-diazaspiro[4.5]decane-2-carboxylate, SULFATE ION
著者Vajdos, F.F.
登録日2015-07-23
公開日2015-10-14
最終更新日2015-11-11
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Discovery of spirocyclic-diamine inhibitors of mammalian acetyl CoA-carboxylase.
Bioorg.Med.Chem.Lett., 25, 2015
5TOZ
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JAK3 WITH COVALENT INHIBITOR PF-06651600
分子名称:Tyrosine-protein kinase JAK3, 1-{(2S,5R)-2-methyl-5-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}propan-1-one, SULFATE ION
著者Vajdos, F.F.
登録日2016-10-19
公開日2016-11-09
最終更新日2017-11-22
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:Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B, ZINC ION, MAGNESIUM ION, ...
著者Vajdos, F.F.
登録日2017-06-16
公開日2018-05-30
最終更新日2018-06-06
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:Non-receptor tyrosine-protein kinase TYK2, 4-({4-[(1S,4S)-5-(cyanoacetyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-2-yl}amino)-N-ethylbenzamide
著者Vajdos, F.F.
登録日2018-05-03
公開日2018-08-29
最終更新日2018-11-07
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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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2018-11-07
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2018-11-07
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
6VNS
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CRYSTAL STRUCTURE OF TYK2 KINASE WITH COMPOUND 13
分子名称:Non-receptor tyrosine-protein kinase TYK2, (1R,2R)-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
著者Vajdos, F.F.
登録日2020-01-29
公開日2020-04-08
最終更新日2020-04-29
実験手法X-RAY DIFFRACTION (2.09 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:Non-receptor tyrosine-protein kinase TYK2, (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
著者Vajdos, F.F.
登録日2020-01-29
公開日2020-04-08
最終更新日2020-04-29
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:Non-receptor tyrosine-protein kinase TYK2, (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
著者Vajdos, F.F.
登録日2020-01-29
公開日2020-04-08
最終更新日2020-04-29
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
6VNY
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CRYSTAL STRUCTURE OF TYK2 KINASE WITH COMPOUND 10
分子名称:Non-receptor tyrosine-protein kinase TYK2, 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
著者Vajdos, F.F.
登録日2020-01-29
公開日2020-04-08
最終更新日2020-04-29
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
6W8L
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CRYSTAL STRUCTURE OF JAK1 KINASE WITH COMPOUND 10
分子名称:Tyrosine-protein kinase JAK1, 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
著者Vajdos, F.F.
登録日2020-03-20
公開日2020-04-08
最終更新日2020-04-29
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
1S78
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INSIGHTS INTO ERBB SIGNALING FROM THE STRUCTURE OF THE ERBB2-PERTUZUMAB COMPLEX
分子名称:Receptor protein-tyrosine kinase erbB-2, Pertuzumab Fab light chain, 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2020-07-29
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
167327
件を2020-08-05に公開中