1XF9
 
 | | Structure of NBD1 from murine CFTR- F508S mutant | | Descriptor: | ACETIC ACID, ADENOSINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, ... | | Authors: | Thibodeau, P.H, Brautigam, C.A, Machius, M, Thomas, P.J. | | Deposit date: | 2004-09-14 | | Release date: | 2004-12-28 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Side chain and backbone contributions of Phe508 to CFTR folding.
Nat.Struct.Mol.Biol., 12, 2005
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1XFA
 | | Structure of NBD1 from murine CFTR- F508R mutant | | Descriptor: | ACETIC ACID, ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, ... | | Authors: | Thibodeau, P.H, Brautigam, C.A, Machius, M, Thomas, P.J. | | Deposit date: | 2004-09-14 | | Release date: | 2004-12-28 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Side chain and backbone contributions of Phe508 to CFTR folding.
Nat.Struct.Mol.Biol., 12, 2005
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5DAD
 | | Crystal Structure of Human KEAP1 BTB Domain in Complex with Small Molecule TX64014 | | Descriptor: | (6aS,7S,10aS)-8-hydroxy-4-methoxy-2,7,10a-trimethyl-5,6,6a,7,10,10a-hexahydrobenzo[h]quinazoline-9-carbonitrile, Kelch-like ECH-associated protein 1 | | Authors: | Huerta, C, Jiang, X, Trevino, I, Bender, C.F, Swinger, K.K, Stoll, V.S, Ferguson, D.A, Thomas, P.J, Probst, B, Dulubova, I, Visnick, M, Wigley, W.C. | | Deposit date: | 2015-08-19 | | Release date: | 2016-08-10 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.61 Å) | | Cite: | Characterization of novel small-molecule NRF2 activators: Structural and biochemical validation of stereospecific KEAP1 binding.
Biochim.Biophys.Acta, 1860, 2016
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1RNC
 | | NEWLY OBSERVED BINDING MODE IN PANCREATIC RIBONUCLEASE | | Descriptor: | GUANOSINE-5'-MONOPHOSPHATE, RIBONUCLEASE A, SULFATE ION | | Authors: | Aguilar, C.F, Thomas, P.J, Mills, A, Moss, D.S, Palmer, R.A. | | Deposit date: | 1991-10-21 | | Release date: | 1994-01-31 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Newly observed binding mode in pancreatic ribonuclease.
J.Mol.Biol., 224, 1992
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1RND
 | | NEWLY OBSERVED BINDING MODE IN PANCREATIC RIBONUCLEASE | | Descriptor: | 2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE, RIBONUCLEASE A, SULFATE ION | | Authors: | Aguilar, C.F, Thomas, P.J, Mills, A, Moss, D.S, Palmer, R.A. | | Deposit date: | 1991-10-21 | | Release date: | 1994-01-31 | | Last modified: | 2017-11-29 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Newly observed binding mode in pancreatic ribonuclease.
J.Mol.Biol., 224, 1992
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1G6H
 | | CRYSTAL STRUCTURE OF THE ADP CONFORMATION OF MJ1267, AN ATP-BINDING CASSETTE OF AN ABC TRANSPORTER | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, HIGH-AFFINITY BRANCHED-CHAIN AMINO ACID TRANSPORT ATP-BINDING PROTEIN, MAGNESIUM ION, ... | | Authors: | Yuan, Y.-R, Martsinkevich, O, Karpowich, N, Millen, L, Thomas, P.J, Hunt, J.F. | | Deposit date: | 2000-11-06 | | Release date: | 2001-07-18 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal structures of the MJ1267 ATP binding cassette reveal an induced-fit effect at the ATPase active site of an ABC transporter.
Structure, 9, 2001
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1GAJ
 | | CRYSTAL STRUCTURE OF A NUCLEOTIDE-FREE ATP-BINDING CASSETTE FROM AN ABC TRANSPORTER | | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, HIGH-AFFINITY BRANCHED CHAIN AMINO ACID TRANSPORT ATP-BINDING PROTEIN, ... | | Authors: | Karpowich, N, Yuan, Y.-R, Dai, P.L, Martsinkevich, O, Millen, L, Thomas, P.J, Hunt, J.F. | | Deposit date: | 2000-11-30 | | Release date: | 2001-07-18 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structures of the MJ1267 ATP binding cassette reveal an induced-fit effect at the ATPase active site of an ABC transporter.
Structure, 9, 2001
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5DAF
 | | Crystal Structure of Human KEAP1 BTB Domain in Complex with Small Molecule TX64063 | | Descriptor: | (5aS,6S,9aS)-7-hydroxy-2,6,9a-trimethyl-3-(pyridin-3-yl)-4,5,5a,6,9,9a-hexahydro-2H-benzo[g]indazole-8-carbonitrile, Kelch-like ECH-associated protein 1 | | Authors: | Huerta, C, Jiang, X, Trevino, I, Bender, C.F, Swinger, K.K, Stoll, V.S, Ferguson, D.A, Thomas, P.J, Probst, B, Dulubova, I, Visnick, M, Wigley, W.C. | | Deposit date: | 2015-08-19 | | Release date: | 2016-08-10 | | Last modified: | 2017-11-22 | | Method: | X-RAY DIFFRACTION (2.37 Å) | | Cite: | Characterization of novel small-molecule NRF2 activators: Structural and biochemical validation of stereospecific KEAP1 binding.
Biochim.Biophys.Acta, 1860, 2016
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3SI7
 | | The crystal structure of the NBD1 domain of the mouse CFTR protein, deltaF508 mutant | | Descriptor: | ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, ... | | Authors: | Brautigam, C.A, Caspa, E, Thomas, P.J. | | Deposit date: | 2011-06-17 | | Release date: | 2012-02-01 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Requirements for efficient correction of DeltaF508 CFTR revealed by analyses of evolved sequences
Cell(Cambridge,Mass.), 148, 2012
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1QHR
 | | NOVEL COVALENT ACTIVE SITE THROMBIN INHIBITORS | | Descriptor: | 6-(2-HYDROXY-CYCLOPENTYL)-7-OXO-HEPTANAMIDINE, ALPHA THROMBIN, HIRUGEN | | Authors: | Jhoti, H, Cleasby, A, Reid, S, Thomas, P, Wonacott, A. | | Deposit date: | 1999-05-26 | | Release date: | 2000-05-31 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structures of thrombin complexed to a novel series of synthetic inhibitors containing a 5,5-trans-lactone template.
Biochemistry, 38, 1999
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1F3O
 | | Crystal structure of MJ0796 ATP-binding cassette | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, HYPOTHETICAL ABC TRANSPORTER ATP-BINDING PROTEIN MJ0796, MAGNESIUM ION | | Authors: | Yuan, Y.-R, Hunt, J.F. | | Deposit date: | 2000-06-05 | | Release date: | 2001-07-25 | | Last modified: | 2018-01-31 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | The crystal structure of the MJ0796 ATP-binding cassette. Implications for the structural consequences of ATP hydrolysis in the active site of an ABC transporter.
J.Biol.Chem., 276, 2001
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2XUE
 | | CRYSTAL STRUCTURE OF JMJD3 | | Descriptor: | 2-OXOGLUTARIC ACID, FE (III) ION, LYSINE-SPECIFIC DEMETHYLASE 6B, ... | | Authors: | Chung, C, Rowland, P, Mosley, J, Thomas, P.J. | | Deposit date: | 2010-10-19 | | Release date: | 2011-12-28 | | Last modified: | 2012-08-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A Selective Jumonji H3K27 Demethylase Inhibitor Modulates the Proinflammatory Macrophage Response
Nature, 488, 2012
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1L2T
 | | Dimeric Structure of MJ0796, a Bacterial ABC Transporter Cassette | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Hypothetical ABC transporter ATP-binding protein MJ0796, ISOPROPYL ALCOHOL, ... | | Authors: | Smith, P.C, Karpowich, N, Rosen, J, Hunt, J.F. | | Deposit date: | 2002-02-24 | | Release date: | 2002-07-24 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | ATP binding to the motor domain from an ABC transporter drives formation of a nucleotide sandwich dimer.
Mol.Cell, 10, 2002
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1Q3H
 | | mouse CFTR NBD1 with AMP.PNP | | Descriptor: | ACETIC ACID, Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION, ... | | Authors: | Lewis, H.A, Buchanan, S.G, Burley, S.K, Conners, K, Dickey, M, Dorwart, M, Fowler, R, Gao, X, Guggino, W.B, Hendrickson, W.A. | | Deposit date: | 2003-07-29 | | Release date: | 2003-12-09 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure of nucleotide-binding domain 1 of the cystic fibrosis transmembrane conductance regulator.
Embo J., 23, 2004
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1R0Z
 | | Phosphorylated Cystic fibrosis transmembrane conductance regulator (CFTR) nucleotide-binding domain one (NBD1) with ATP | | Descriptor: | ACETIC ACID, ADENOSINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, ... | | Authors: | Lewis, H.A, Buchanan, S.G, Burley, S.K, Conners, K, Dickey, M, Dorwart, M, Fowler, R, Gao, X, Guggino, W.B, Hendrickson, W.A. | | Deposit date: | 2003-09-23 | | Release date: | 2003-12-09 | | Last modified: | 2021-02-03 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structure of nucleotide-binding domain 1 of the cystic fibrosis transmembrane conductance regulator.
Embo J., 23, 2004
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1R10
 | | Cystic fibrosis transmembrane conductance regulator (CFTR) nucleotide-binding domain one (NBD1) with ATP, I4122 space group | | Descriptor: | ACETIC ACID, ADENOSINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, ... | | Authors: | Lewis, H.A, Buchanan, S.G, Burley, S.K, Conners, K, Dickey, M, Dorwart, M, Fowler, R, Gao, X, Guggino, W.B, Hendrickson, W.A. | | Deposit date: | 2003-09-23 | | Release date: | 2003-12-09 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structure of nucleotide-binding domain 1 of the cystic fibrosis transmembrane conductance regulator.
Embo J., 23, 2004
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1R0X
 | | Cystic fibrosis transmembrane conductance regulator (CFTR) nucleotide-binding domain one (NBD1) with ATP | | Descriptor: | ACETIC ACID, ADENOSINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, ... | | Authors: | Lewis, H.A, Buchanan, S.G, Burley, S.K, Conners, K, Dickey, M, Dorwart, M, Fowler, R, Gao, X, Guggino, W.B, Hendrickson, W.A. | | Deposit date: | 2003-09-23 | | Release date: | 2003-12-09 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure of nucleotide-binding domain 1 of the cystic fibrosis transmembrane conductance regulator.
Embo J., 23, 2004
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1R0Y
 | | Cystic fibrosis transmembrane conductance regulator (CFTR) nucleotide-binding domain one (NBD1) with ADP | | Descriptor: | ACETIC ACID, ADENOSINE-5'-DIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator | | Authors: | Lewis, H.A, Buchanan, S.G, Burley, S.K, Conners, K, Dickey, M, Dorwart, M, Fowler, R, Gao, X, Guggino, W.B, Hendrickson, W.A. | | Deposit date: | 2003-09-23 | | Release date: | 2003-12-09 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Structure of nucleotide-binding domain 1 of the cystic fibrosis transmembrane conductance regulator.
Embo J., 23, 2004
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1R0W
 | | Cystic fibrosis transmembrane conductance regulator (CFTR) nucleotide-binding domain one (NBD1) apo | | Descriptor: | ACETIC ACID, Cystic fibrosis transmembrane conductance regulator | | Authors: | Lewis, H.A, Buchanan, S.G, Burley, S.K, Conners, K, Dickey, M, Dorwart, M, Fowler, R, Gao, X, Guggino, W.B, Hendrickson, W.A. | | Deposit date: | 2003-09-23 | | Release date: | 2003-12-09 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure of nucleotide-binding domain 1 of the cystic fibrosis transmembrane conductance regulator.
Embo J., 23, 2004
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6TPY
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6TPX
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6TQ2
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6TPZ
 | | N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH 5-(1-(1,3-dimethoxypropan-2-yl)-5-morpholino-1H-benzo[d]imidazol-2-yl)-1,3-dimethylpyridin-2(1H)-one | | Descriptor: | 1,2-ETHANEDIOL, 5-[1-(1,3-dimethoxypropan-2-yl)-5-morpholin-4-yl-benzimidazol-2-yl]-1,3-dimethyl-pyridin-2-one, Bromodomain-containing protein 4 | | Authors: | Chung, C. | | Deposit date: | 2019-12-15 | | Release date: | 2020-01-15 | | Last modified: | 2020-02-05 | | Method: | X-RAY DIFFRACTION (1.299 Å) | | Cite: | Discovery of a Bromodomain and Extraterminal Inhibitor with a Low Predicted Human Dose through Synergistic Use of Encoded Library Technology and Fragment Screening.
J.Med.Chem., 63, 2020
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6TQ1
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1ROB
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