4XRY
| Human Cytochrome P450 2D6 BACE1 Inhibitor 5 Complex | Descriptor: | (4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(1-methyl-1H-pyrazol-4-yl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine, Cytochrome P450 2D6, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Johnson, E.F, Fan, Y. | Deposit date: | 2015-01-21 | Release date: | 2015-05-20 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Utilizing Structures of CYP2D6 and BACE1 Complexes To Reduce Risk of Drug-Drug Interactions with a Novel Series of Centrally Efficacious BACE1 Inhibitors. J.Med.Chem., 58, 2015
|
|
4XRZ
| Human Cytochrome P450 2D6 BACE1 Inhibitor 6 Complex | Descriptor: | (4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(1H-pyrazol-4-yl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine, Cytochrome P450 2D6, GLYCEROL, ... | Authors: | Johnson, E.F, Fan, Y. | Deposit date: | 2015-01-21 | Release date: | 2015-05-20 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Utilizing Structures of CYP2D6 and BACE1 Complexes To Reduce Risk of Drug-Drug Interactions with a Novel Series of Centrally Efficacious BACE1 Inhibitors. J.Med.Chem., 58, 2015
|
|
1QQN
| D206S MUTANT OF BOVINE 70 KILODALTON HEAT SHOCK PROTEIN | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, D206S MUTANT OF BOVINE 70 KILODALTON HEAT SHOCK PROTEIN, ... | Authors: | Johnson, E.R, McKay, D.B. | Deposit date: | 1999-06-07 | Release date: | 1999-09-15 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Mapping the role of active site residues for transducing an ATP-induced conformational change in the bovine 70-kDa heat shock cognate protein. Biochemistry, 38, 1999
|
|
1QVA
| YEAST INITIATION FACTOR 4A N-TERMINAL DOMAIN | Descriptor: | INITIATION FACTOR 4A | Authors: | Johnson, E.R, McKay, D.B. | Deposit date: | 1999-07-07 | Release date: | 1999-12-02 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystallographic structure of the amino terminal domain of yeast initiation factor 4A, a representative DEAD-box RNA helicase RNA, 5, 1999
|
|
4WA9
| |
8FP1
| PKCeta kinase domain in complex with compound 2 | Descriptor: | (3P)-3-[6-chloro-4-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile, Protein kinase C eta type | Authors: | Johnson, E. | Deposit date: | 2023-01-03 | Release date: | 2023-04-05 | Last modified: | 2023-04-26 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Design and Synthesis of Functionally Active 5-Amino-6-Aryl Pyrrolopyrimidine Inhibitors of Hematopoietic Progenitor Kinase 1. J.Med.Chem., 66, 2023
|
|
6NG0
| Crystal structure of HPK1 kinase domain T165E,S171E phosphomimetic mutant in complex with sunitinib in the inactive state. | Descriptor: | Mitogen-activated protein kinase kinase kinase kinase 1, N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbo xamide | Authors: | Johnson, E, McTigue, M, Cronin, C.N. | Deposit date: | 2018-12-21 | Release date: | 2019-05-01 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Multiple conformational states of the HPK1 kinase domain in complex with sunitinib reveal the structural changes accompanying HPK1 trans-regulation. J.Biol.Chem., 294, 2019
|
|
6NFY
| Crystal structure of nonphosphorylated, HPK1 kinase domain in complex with sunitinib in the inactive state. | Descriptor: | Mitogen-activated protein kinase kinase kinase kinase 1, N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbo xamide | Authors: | Johnson, E, McTigue, M, Cronin, C.N. | Deposit date: | 2018-12-21 | Release date: | 2019-05-01 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Multiple conformational states of the HPK1 kinase domain in complex with sunitinib reveal the structural changes accompanying HPK1 trans-regulation. J.Biol.Chem., 294, 2019
|
|
3KX9
| |
6NFZ
| Crystal structure of diphosphorylated HPK1 kinase domain in complex with sunitinib in the active state. | Descriptor: | Mitogen-activated protein kinase kinase kinase kinase 1, N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide | Authors: | Johnson, E, McTigue, M, Cronin, C.N. | Deposit date: | 2018-12-21 | Release date: | 2019-05-01 | Last modified: | 2019-06-26 | Method: | X-RAY DIFFRACTION (2.966 Å) | Cite: | Multiple conformational states of the HPK1 kinase domain in complex with sunitinib reveal the structural changes accompanying HPK1 trans-regulation. J.Biol.Chem., 294, 2019
|
|
8FP3
| PKCeta kinase domain in complex with compound 11 | Descriptor: | (3P)-3-{4-[(3R,5S)-3-amino-5-methylpiperidin-1-yl]-6-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl}benzonitrile, Protein kinase C eta type | Authors: | Johnson, E. | Deposit date: | 2023-01-03 | Release date: | 2023-04-05 | Last modified: | 2023-04-26 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Design and Synthesis of Functionally Active 5-Amino-6-Aryl Pyrrolopyrimidine Inhibitors of Hematopoietic Progenitor Kinase 1. J.Med.Chem., 66, 2023
|
|
4TWP
| The crystal structure of human abl1 T315I gatekeeper mutant kinase domain in complex with axitinib | Descriptor: | AXITINIB, NICKEL (II) ION, SODIUM ION, ... | Authors: | Johnson, E, McTigue, M, Cronin, C.N. | Deposit date: | 2014-07-01 | Release date: | 2015-02-11 | Last modified: | 2024-08-07 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Axitinib effectively inhibits BCR-ABL1(T315I) with a distinct binding conformation. Nature, 519, 2015
|
|
3DHX
| Crystal structure of isolated C2 domain of the methionine uptake transporter | Descriptor: | IODIDE ION, Methionine import ATP-binding protein metN | Authors: | Johnson, E, Kaiser, J.T, Lee, A.T, Rees, D.C. | Deposit date: | 2008-06-18 | Release date: | 2008-08-05 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The high-affinity E. coli methionine ABC transporter: structure and allosteric regulation. Science, 321, 2008
|
|
3TUZ
| Inward facing conformations of the MetNI methionine ABC transporter: CY5 SeMet soak crystal form | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, D-methionine transport system permease protein metI, Methionine import ATP-binding protein MetN, ... | Authors: | Johnson, E, Nguyen, P, Rees, D.C. | Deposit date: | 2011-09-19 | Release date: | 2011-11-30 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Inward facing conformations of the MetNI methionine ABC transporter: Implications for the mechanism of transinhibition. Protein Sci., 21, 2012
|
|
3TUI
| |
3TUJ
| |
5W0C
| Cytochrome P450 (CYP) 2C9 TCA007 Inhibitor Complex | Descriptor: | Cytochrome P450 2C9, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Johnson, E.F, Hsu, M.-H. | Deposit date: | 2017-05-30 | Release date: | 2017-09-13 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.001 Å) | Cite: | Determinants of the Inhibition of DprE1 and CYP2C9 by Antitubercular Thiophenes. Angew. Chem. Int. Ed. Engl., 56, 2017
|
|
1QQO
| E175S MUTANT OF BOVINE 70 KILODALTON HEAT SHOCK PROTEIN | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, HYDROLASE (ACTING ON ACID ANHYDRIDES), ... | Authors: | Johnson, E.R, McKay, D.B. | Deposit date: | 1999-06-07 | Release date: | 1999-09-15 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Mapping the role of active site residues for transducing an ATP-induced conformational change in the bovine 70-kDa heat shock cognate protein. Biochemistry, 38, 1999
|
|
1QQM
| D199S MUTANT OF BOVINE 70 KILODALTON HEAT SHOCK PROTEIN | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, D199S MUTANT OF BOVINE 70 KILODALTON HEAT SHOCK PROTEIN, ... | Authors: | Johnson, E.R, Mckay, D.B. | Deposit date: | 1999-06-07 | Release date: | 1999-09-15 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Mapping the role of active site residues for transducing an ATP-induced conformational change in the bovine 70-kDa heat shock cognate protein. Biochemistry, 38, 1999
|
|
1SQ3
| Crystal structures of a novel open pore ferritin from the hyperthermophilic Archaeon Archaeoglobus fulgidus. | Descriptor: | FE (III) ION, ferritin | Authors: | Johnson, E, Cascio, D, Michael, S, Schroder, I. | Deposit date: | 2004-03-17 | Release date: | 2005-04-12 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structures of a tetrahedral open pore ferritin from the hyperthermophilic archaeon Archaeoglobus fulgidus. Structure, 13, 2005
|
|
1S3Q
| Crystal structures of a novel open pore ferritin from the hyperthermophilic Archaeon Archaeoglobus fulgidus | Descriptor: | ZINC ION, ferritin | Authors: | Johnson, E, Cascio, D, Sawaya, M, Schroeder, I. | Deposit date: | 2004-01-13 | Release date: | 2005-04-12 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structures of a tetrahedral open pore ferritin from the hyperthermophilic archaeon Archaeoglobus fulgidus. Structure, 13, 2005
|
|
1UD7
| SOLUTION STRUCTURE OF THE DESIGNED HYDROPHOBIC CORE MUTANT OF UBIQUITIN, 1D7 | Descriptor: | PROTEIN (UBIQUITIN CORE MUTANT 1D7) | Authors: | Johnson, E.C, Lazar, G.A, Desjarlais, J.R, Handel, T.M. | Deposit date: | 1999-04-07 | Release date: | 1999-05-06 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | Solution structure and dynamics of a designed hydrophobic core variant of ubiquitin. Structure Fold.Des., 7, 1999
|
|
4WNT
| Human Cytochrome P450 2D6 Ajmalicine Complex | Descriptor: | Ajmalicine, Cytochrome P450 2D6, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Wang, A, Stout, C.D, Johnson, E.F. | Deposit date: | 2014-10-14 | Release date: | 2015-01-14 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Contributions of Ionic Interactions and Protein Dynamics to Cytochrome P450 2D6 (CYP2D6) Substrate and Inhibitor Binding. J.Biol.Chem., 290, 2015
|
|
4WNW
| Human Cytochrome P450 2D6 Thioridazine Complex | Descriptor: | 10-{2-[(2R)-1-methylpiperidin-2-yl]ethyl}-2-(methylsulfanyl)-10H-phenothiazine, Cytochrome P450 2D6, NICKEL (II) ION, ... | Authors: | Wang, A, Stout, C.D, Johnson, E.F. | Deposit date: | 2014-10-14 | Release date: | 2015-01-14 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.299 Å) | Cite: | Contributions of Ionic Interactions and Protein Dynamics to Cytochrome P450 2D6 (CYP2D6) Substrate and Inhibitor Binding. J.Biol.Chem., 290, 2015
|
|
4WNV
| Human Cytochrome P450 2D6 Quinine Complex | Descriptor: | Cytochrome P450 2D6, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Wang, A, Stout, C.D, Johnson, E.F. | Deposit date: | 2014-10-14 | Release date: | 2015-01-14 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Contributions of Ionic Interactions and Protein Dynamics to Cytochrome P450 2D6 (CYP2D6) Substrate and Inhibitor Binding. J.Biol.Chem., 290, 2015
|
|