1E4X
 
 | | crossreactive binding of a circularized peptide to an anti-TGFalpha antibody Fab-fragment | | Descriptor: | CYCLIC PEPTIDE, TAB2 | | Authors: | Hahn, M, Winkler, D, Misselwitz, R, Wessner, H, Welfle, K, Zahn, G, Schneider-Mergener, J, Hoehne, W. | | Deposit date: | 2000-07-12 | | Release date: | 2001-07-12 | | Last modified: | 2017-02-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Cross-Reactive Binding of Cyclic Peptides to an Anti-Tgf Alpha Antibody Fab Fragment: An X-Ray Structural and Thermodynamic Analysis
J.Mol.Biol., 314, 2001
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1E4W
 | | crossreactive binding of a circularized peptide to an anti-TGFalpha antibody Fab-fragment | | Descriptor: | CHLORIDE ION, CYCLIC PEPTIDE, NICKEL (II) ION, ... | | Authors: | Hahn, M, Winkler, D, Misselwitz, R, Wessner, H, Welfle, K, Zahn, G, Schneider-Mergener, J, Hoehne, W. | | Deposit date: | 2000-07-12 | | Release date: | 2001-07-12 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Cross-Reactive Binding of Cyclic Peptides to an Anti-Tgf Alpha Antibody Fab Fragment: An X-Ray Structural and Thermodynamic Analysis
J.Mol.Biol., 314, 2001
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8P5O
 | | Proline activating adenylation domain of gramicidin S synthetase 2 - GrsB1-Acore | | Descriptor: | Gramicidin S synthase 2 | | Authors: | Stephan, P, Basquin, J, Caputi, L, O'Connor, S.E, Kries, H. | | Deposit date: | 2023-05-24 | | Release date: | 2023-07-05 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Directed Evolution of Piperazic Acid Incorporation by a Nonribosomal Peptide Synthetase.
Angew.Chem.Int.Ed.Engl., 62, 2023
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3FT8
 | | Structure of HSP90 bound with a noval fragment. | | Descriptor: | (5E,7S)-2-amino-7-(4-fluoro-2-pyridin-3-ylphenyl)-4-methyl-7,8-dihydroquinazolin-5(6H)-one oxime, Heat shock protein HSP 90-alpha | | Authors: | Barker, J.B, Cheng, R.K.Y, Palan, S, Felicetti, B. | | Deposit date: | 2009-01-12 | | Release date: | 2009-06-30 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Fragment-based identification of Hsp90 inhibitors.
Chemmedchem, 4, 2009
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3FT5
 | | Structure of HSP90 bound with a novel fragment | | Descriptor: | 4-methyl-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-amine, Heat shock protein HSP 90-alpha | | Authors: | Barker, J.B, Mather, O, Cheng, R.K.Y, Palan, S, Felicetti, B. | | Deposit date: | 2009-01-12 | | Release date: | 2009-05-05 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Fragment-based Identification of Hsp90 Inhibitors.
Chemmedchem, 4, 2009
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4IN4
 | | Crystal structure of cpd 15 bound to Keap1 Kelch domain | | Descriptor: | 2-({5-[(2,4-dimethylphenyl)sulfonyl]-6-oxo-1,6-dihydropyrimidin-2-yl}sulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide, Kelch-like ECH-associated protein 1, PHOSPHATE ION | | Authors: | Silvian, L, Marcotte, D. | | Deposit date: | 2013-01-03 | | Release date: | 2013-05-15 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.59 Å) | | Cite: | Small molecules inhibit the interaction of Nrf2 and the Keap1 Kelch domain through a non-covalent mechanism.
Bioorg.Med.Chem., 21, 2013
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4IQK
 | | Crystal structure of cpd 16 bound to Keap1 Kelch domain | | Descriptor: | Kelch-like ECH-associated protein 1, N,N'-naphthalene-1,4-diylbis(4-methoxybenzenesulfonamide) | | Authors: | Silvian, L, Marcotte, D. | | Deposit date: | 2013-01-11 | | Release date: | 2013-05-15 | | Last modified: | 2013-07-03 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Small molecules inhibit the interaction of Nrf2 and the Keap1 Kelch domain through a non-covalent mechanism.
Bioorg.Med.Chem., 21, 2013
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4PRJ
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4PQN
 | | ITK kinase domain with compound GNE-9822 | | Descriptor: | 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, N-{1-[(1S)-3-(dimethylamino)-1-phenylpropyl]-1H-pyrazol-4-yl}-6,6-dimethyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide, Tyrosine-protein kinase ITK/TSK | | Authors: | McEwan, P.A, Barker, J.J, Eigenbrot, C. | | Deposit date: | 2014-03-03 | | Release date: | 2014-07-02 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | Property- and structure-guided discovery of a tetrahydroindazole series of interleukin-2 inducible T-cell kinase inhibitors.
J.Med.Chem., 57, 2014
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