2OUZ
 
 | | Crystal Structure of Estrogen Receptor alpha-lasofoxifene complex | | Descriptor: | (5R,6S)-6-PHENYL-5-[4-(2-PYRROLIDIN-1-YLETHOXY)PHENYL]-5,6,7,8-TETRAHYDRONAPHTHALEN-2-OL, Estrogen receptor | | Authors: | Vajdos, F.F, Pandit, J. | | Deposit date: | 2007-02-12 | | Release date: | 2007-05-08 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The 2.0 A crystal structure of the ER{alpha} ligand-binding domain complexed with lasofoxifene
Protein Sci., 16, 2007
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1IMX
 | | 1.8 Angstrom crystal structure of IGF-1 | | Descriptor: | BROMIDE ION, Insulin-like Growth Factor 1A, N,N-BIS(3-D-GLUCONAMIDOPROPYL)DEOXYCHOLAMIDE | | Authors: | Vajdos, F.F, Ultsch, M, Schaffer, M.L, Deshayes, K.D, Liu, J, Skelton, N.J, de Vos, A.M. | | Deposit date: | 2001-05-11 | | Release date: | 2001-09-05 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Crystal structure of human insulin-like growth factor-1: detergent binding inhibits binding protein interactions.
Biochemistry, 40, 2001
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1L7I
 | | Crystal Structure of the anti-ErbB2 Fab2C4 | | Descriptor: | SULFATE ION, chimera of Fab2C4: "humanized" murine monoclonal antibody | | Authors: | Vajdos, F.F, Adams, C.W, Breece, T.N, Presta, L.G, de Vos, A.M, Sidhu, S.S. | | Deposit date: | 2002-03-15 | | Release date: | 2002-07-10 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Comprehensive functional maps of the antigen-binding site of an anti-ErbB2 antibody obtained with shotgun scanning mutagenesis.
J.Mol.Biol., 320, 2002
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1AWR
 | | CYPA COMPLEXED WITH HAGPIA | | Descriptor: | CYCLOPHILIN A, PEPTIDE FROM THE HIV-1 CAPSID PROTEIN | | Authors: | Vajdos, F.F. | | Deposit date: | 1997-10-04 | | Release date: | 1998-03-18 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Crystal structure of cyclophilin A complexed with a binding site peptide from the HIV-1 capsid protein.
Protein Sci., 6, 1997
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1AWV
 | | CYPA COMPLEXED WITH HVGPIA | | Descriptor: | CYCLOPHILIN A, PEPTIDE FROM THE HIV-1 CAPSID PROTEIN | | Authors: | Vajdos, F.F. | | Deposit date: | 1997-10-05 | | Release date: | 1998-03-18 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | Crystal structure of cyclophilin A complexed with a binding site peptide from the HIV-1 capsid protein.
Protein Sci., 6, 1997
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1AWU
 | | CYPA COMPLEXED WITH HVGPIA (PSEUDO-SYMMETRIC MONOMER) | | Descriptor: | CYCLOPHILIN A, PEPTIDE FROM THE HIV-1 CAPSID PROTEIN | | Authors: | Vajdos, F.F. | | Deposit date: | 1997-10-05 | | Release date: | 1998-03-18 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | Crystal structure of cyclophilin A complexed with a binding site peptide from the HIV-1 capsid protein.
Protein Sci., 6, 1997
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1AWS
 | | SECYPA COMPLEXED WITH HAGPIA (PSEUDO-SYMMETRIC MONOMER) | | Descriptor: | CYCLOPHILIN A, PEPTIDE FROM THE HIV-1 CAPSID PROTEIN | | Authors: | Vajdos, F.F. | | Deposit date: | 1997-10-04 | | Release date: | 1998-03-18 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Crystal structure of cyclophilin A complexed with a binding site peptide from the HIV-1 capsid protein.
Protein Sci., 6, 1997
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1AWQ
 | | CYPA COMPLEXED WITH HAGPIA (PSEUDO-SYMMETRIC MONOMER) | | Descriptor: | CYCLOPHILIN A, PEPTIDE FROM THE HIV-1 CAPSID PROTEIN | | Authors: | Vajdos, F.F. | | Deposit date: | 1997-10-04 | | Release date: | 1998-03-18 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Crystal structure of cyclophilin A complexed with a binding site peptide from the HIV-1 capsid protein.
Protein Sci., 6, 1997
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1AWT
 | | SECYPA COMPLEXED WITH HAGPIA | | Descriptor: | CYCLOPHILIN A, PEPTIDE FROM THE HIV-1 CAPSID PROTEIN | | Authors: | Vajdos, F.F. | | Deposit date: | 1997-10-05 | | Release date: | 1998-03-18 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Crystal structure of cyclophilin A complexed with a binding site peptide from the HIV-1 capsid protein.
Protein Sci., 6, 1997
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8FB1
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8FAV
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8FB2
 | | HUMAN RETENOID-RELATED ORPHAN RECEPTOR-GAMMA (RORC2) LIGAND-BINDING DOMAIN IN COMPLEX WITH COMPOUND 8 ANDINDAZOLE ACID BOUND IN H12-POCKET | | Descriptor: | (1R,15S)-16-(cyclopropylacetyl)-5-fluoro-20-methyl-9lambda~6~-thia-1,8,16-triazatricyclo[13.3.1.1~3,7~]icosa-3(20),4,6-triene-9,9-dione, 4-[1-(2,6-dichlorobenzoyl)-4-fluoro-1H-indazol-3-yl]benzoic acid, Nuclear receptor ROR-gamma | | Authors: | Vajdos, F.F. | | Deposit date: | 2022-11-29 | | Release date: | 2023-03-01 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Macrocyclic Retinoic Acid Receptor-Related Orphan Receptor C2 Inverse Agonists.
Acs Med.Chem.Lett., 14, 2023
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7SLV
 | | Vanin-1 complexed with Compound 3 | | Descriptor: | (8-oxa-2-azaspiro[4.5]decan-2-yl)(2-{[(pyrazin-2-yl)methyl]amino}pyrimidin-5-yl)methanone, 2-acetamido-2-deoxy-beta-D-glucopyranose, Pantetheinase, ... | | Authors: | Vajdos, F.F. | | Deposit date: | 2021-10-25 | | Release date: | 2022-01-12 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | Discovery of a Series of Pyrimidine Carboxamides as Inhibitors of Vanin-1.
J.Med.Chem., 65, 2022
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7SLY
 | | Vanin-1 complexed with Compound 27 | | Descriptor: | (8-oxa-2-azaspiro[4.5]decan-2-yl)(2-{[(1S)-1-(pyrazin-2-yl)ethyl]amino}pyrimidin-5-yl)methanone, 2-acetamido-2-deoxy-beta-D-glucopyranose, Pantetheinase, ... | | Authors: | Vajdos, F.F. | | Deposit date: | 2021-10-25 | | Release date: | 2022-01-12 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.17 Å) | | Cite: | Discovery of a Series of Pyrimidine Carboxamides as Inhibitors of Vanin-1.
J.Med.Chem., 65, 2022
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7SLX
 | | Vanin-1 complexed with Compound 11 | | Descriptor: | (3R)-1-(2-{[1-(pyrimidin-5-yl)cyclopropyl]amino}pyrimidine-5-carbonyl)piperidine-3-carbonitrile, 2-acetamido-2-deoxy-beta-D-glucopyranose, Pantetheinase, ... | | Authors: | Vajdos, F.F. | | Deposit date: | 2021-10-25 | | Release date: | 2022-01-12 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Discovery of a Series of Pyrimidine Carboxamides as Inhibitors of Vanin-1.
J.Med.Chem., 65, 2022
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6X8E
 | | Crystal structure of JAK2 with Compound 11 | | Descriptor: | Tyrosine-protein kinase JAK2, [3-{4-[6-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-1H-pyrazol-1-yl}-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile | | Authors: | Vajdos, F.F, Knafels, J.D. | | Deposit date: | 2020-06-01 | | Release date: | 2020-11-25 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Discovery of Tyrosine Kinase 2 (TYK2) Inhibitor (PF-06826647) for the Treatment of Autoimmune Diseases.
J.Med.Chem., 63, 2020
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6X8G
 | | Crystal structure of TYK2 with Compound 22 | | Descriptor: | Non-receptor tyrosine-protein kinase TYK2, trans-3-(cyanomethyl)-3-{4-[6-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-1H-pyrazol-1-yl}cyclobutane-1-carbonitrile | | Authors: | Vajdos, F.F, Knafels, J.D. | | Deposit date: | 2020-06-01 | | Release date: | 2020-11-25 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Discovery of Tyrosine Kinase 2 (TYK2) Inhibitor (PF-06826647) for the Treatment of Autoimmune Diseases.
J.Med.Chem., 63, 2020
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6X8F
 | | Crystal structure of TYK2 with Compound 11 | | Descriptor: | Non-receptor tyrosine-protein kinase TYK2, [3-{4-[6-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-1H-pyrazol-1-yl}-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile | | Authors: | Vajdos, F.F, Knafels, J.D. | | Deposit date: | 2020-06-01 | | Release date: | 2020-11-25 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Discovery of Tyrosine Kinase 2 (TYK2) Inhibitor (PF-06826647) for the Treatment of Autoimmune Diseases.
J.Med.Chem., 63, 2020
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5CTC
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5CTB
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5CTE
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4WZ8
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6VNS
 | | Crystal structure of TYK2 kinase with compound 13 | | Descriptor: | (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, Non-receptor tyrosine-protein kinase TYK2 | | Authors: | Vajdos, F.F. | | Deposit date: | 2020-01-29 | | Release date: | 2020-04-08 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | 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
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6VNY
 | | Crystal structure of TYK2 kinase with compound 10 | | Descriptor: | 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 | | Authors: | Vajdos, F.F. | | Deposit date: | 2020-01-29 | | Release date: | 2020-04-08 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | 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
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4WYO
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