4WA9
 
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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
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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
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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
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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
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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
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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: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Axitinib effectively inhibits BCR-ABL1(T315I) with a distinct binding conformation.
Nature, 519, 2015
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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
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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
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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
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3TUI
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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
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3TUJ
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3KX9
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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1C3T
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