4X0K
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![BU of 4x0k by Molmil](/molmil-images/mine/4x0k) | Engineered Fab fragment specific for EYMPME (EE) peptide | Descriptor: | Fab fragment heavy chain, Fab fragment light chain | Authors: | Johnson, J.L, Lieberman, R.L. | Deposit date: | 2014-11-21 | Release date: | 2015-04-08 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Structural and biophysical characterization of an epitope-specific engineered Fab fragment and complexation with membrane proteins: implications for co-crystallization. Acta Crystallogr.,Sect.D, 71, 2015
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4NXS
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![BU of 4nxs by Molmil](/molmil-images/mine/4nxs) | Crystal structure of human alpha-galactosidase A in complex with 1-deoxygalactonojirimycin-pFPhT | Descriptor: | (2R,3S,4R,5S)-N-(4-fluorophenyl)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidine-1-carbothioamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Johnson, J.L, Drury, J.E, Lieberman, R.L. | Deposit date: | 2013-12-09 | Release date: | 2014-06-11 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.5493 Å) | Cite: | Molecular Basis of 1-Deoxygalactonojirimycin Arylthiourea Binding to Human alpha-Galactosidase A: Pharmacological Chaperoning Efficacy on Fabry Disease Mutants. Acs Chem.Biol., 9, 2014
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4NKM
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![BU of 4nkm by Molmil](/molmil-images/mine/4nkm) | Crystal structure of engineered anti-EE scFv antibody fragment | Descriptor: | Engineered scFv | Authors: | Kalyoncu, S, Hyun, J, Pai, J.C, Johnson, J.L, Etzminger, K, Jain, A, Heaner Jr, D, Molares, I.A, Truskett, T.M, Maynard, J.A, Lieberman, R.L. | Deposit date: | 2013-11-12 | Release date: | 2014-03-12 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (3.71 Å) | Cite: | Effects of protein engineering and rational mutagenesis on crystal lattice of single chain antibody fragments. Proteins, 82, 2014
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4NKD
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![BU of 4nkd by Molmil](/molmil-images/mine/4nkd) | Crystal structure of engineered anti-EE scFv antibody fragment | Descriptor: | Engineered scFv | Authors: | Kalyoncu, S, Hyun, J, Pai, J.C, Johnson, J.L, Etzminger, K, Jain, A, Heaner Jr, D, Molares, I.A, Truskett, T.M, Maynard, J.A, Lieberman, R.L. | Deposit date: | 2013-11-12 | Release date: | 2014-03-12 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (3.303 Å) | Cite: | Effects of protein engineering and rational mutagenesis on crystal lattice of single chain antibody fragments. Proteins, 82, 2014
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4NKO
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![BU of 4nko by Molmil](/molmil-images/mine/4nko) | Crystal structure of engineered anti-EE scFv antibody fragment | Descriptor: | Engineered scFv | Authors: | Kalyoncu, S, Hyun, J, Pai, J.C, Johnson, J.L, Etzminger, K, Jain, A, Heaner Jr, D, Molares, I.A, Truskett, T.M, Maynard, J.A, Lieberman, R.L. | Deposit date: | 2013-11-12 | Release date: | 2014-03-12 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (3.496 Å) | Cite: | Effects of protein engineering and rational mutagenesis on crystal lattice of single chain antibody fragments. Proteins, 82, 2014
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7KW7
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![BU of 7kw7 by Molmil](/molmil-images/mine/7kw7) | Atomic cryoEM structure of Hsp90-Hsp70-Hop-GR | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Glucocorticoid receptor, Heat shock 70 kDa protein 1A, ... | Authors: | Wang, R.Y, Noddings, C.M, Kirschke, E, Myasnikov, A, Johnson, J.L, Agard, D.A. | Deposit date: | 2020-11-30 | Release date: | 2021-12-08 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.57 Å) | Cite: | Structure of Hsp90-Hsp70-Hop-GR reveals the Hsp90 client-loading mechanism. Nature, 601, 2022
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8AM0
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![BU of 8am0 by Molmil](/molmil-images/mine/8am0) | Crystal structure of human T1061E PI3Kalpha in complex with its regulatory subunit and the inhibitor GDC-0077 (Inavolisib) | Descriptor: | (2R)-2-[[2-[(4S)-4-[bis(fluoranyl)methyl]-2-oxidanylidene-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]amino]propanamide, 1,2-ETHANEDIOL, CHLORIDE ION, ... | Authors: | Goncalves, M, Johnson, J.L, Roewer, K.M. | Deposit date: | 2022-08-02 | Release date: | 2023-12-13 | Last modified: | 2024-01-03 | Method: | X-RAY DIFFRACTION (2.818 Å) | Cite: | Epinephrine inhibits PI3K alpha via the Hippo kinases. Cell Rep, 42, 2023
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1MJ4
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![BU of 1mj4 by Molmil](/molmil-images/mine/1mj4) | Crystal Structure Analysis of the cytochrome b5 domain of human sulfite oxidase | Descriptor: | GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, ... | Authors: | Rudolph, M.J, Johnson, J.L, Rajagopalan, K.V, Kisker, C. | Deposit date: | 2002-08-26 | Release date: | 2002-09-12 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | The 1.2 A structure of the human sulfite oxidase cytochrome b(5) domain. Acta Crystallogr.,Sect.D, 59, 2003
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6OYW
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![BU of 6oyw by Molmil](/molmil-images/mine/6oyw) | ASK1 kinase domain in complex with Compound 11 | Descriptor: | (19S)-19-methyl-16,17,18,19-tetrahydro-8,4-(azeno)[1,2,4]triazolo[4,3-f][1,6,13]benzoxadiazacyclohexadecin-10(9H)-one, MAGNESIUM ION, Mitogen-activated protein kinase kinase kinase 5 | Authors: | Marcotte, D.J. | Deposit date: | 2019-05-15 | Release date: | 2019-11-27 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.603 Å) | Cite: | Rational Design and Optimization of a Novel Class of Macrocyclic Apoptosis Signal-Regulating Kinase 1 Inhibitors. J.Med.Chem., 62, 2019
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6OYT
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![BU of 6oyt by Molmil](/molmil-images/mine/6oyt) | ASK1 kinase domain in complex with GS-4997 | Descriptor: | 5-(4-cyclopropyl-1H-imidazol-1-yl)-2-fluoro-4-methyl-N-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}benzamide, ACETATE ION, Mitogen-activated protein kinase kinase kinase 5 | Authors: | Marcotte, D.J. | Deposit date: | 2019-05-15 | Release date: | 2019-11-27 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.824 Å) | Cite: | Rational Design and Optimization of a Novel Class of Macrocyclic Apoptosis Signal-Regulating Kinase 1 Inhibitors. J.Med.Chem., 62, 2019
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8FFW
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![BU of 8ffw by Molmil](/molmil-images/mine/8ffw) | Cryo-EM structure of the GR-Hsp90-FKBP51 complex | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, DEXAMETHASONE, Glucocorticoid receptor, ... | Authors: | Noddings, C.M, Agard, D.A. | Deposit date: | 2022-12-10 | Release date: | 2023-11-01 | Last modified: | 2023-12-20 | Method: | ELECTRON MICROSCOPY (3.23 Å) | Cite: | Cryo-EM reveals how Hsp90 and FKBP immunophilins co-regulate the glucocorticoid receptor. Nat.Struct.Mol.Biol., 30, 2023
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8FFV
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![BU of 8ffv by Molmil](/molmil-images/mine/8ffv) | Cryo-EM structure of the GR-Hsp90-FKBP52 complex | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, DEXAMETHASONE, Glucocorticoid receptor, ... | Authors: | Noddings, C.M, Agard, D.A. | Deposit date: | 2022-12-10 | Release date: | 2023-11-01 | Last modified: | 2023-12-20 | Method: | ELECTRON MICROSCOPY (3.01 Å) | Cite: | Cryo-EM reveals how Hsp90 and FKBP immunophilins co-regulate the glucocorticoid receptor. Nat.Struct.Mol.Biol., 30, 2023
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7JXY
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![BU of 7jxy by Molmil](/molmil-images/mine/7jxy) | Structure of TTBK1 kinase domain in complex with Compound 18 | Descriptor: | (3S)-1-[1-(2-aminopyrimidin-4-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-methylpent-1-yn-3-ol, Tau-tubulin kinase 1 | Authors: | Chodaprambil, J.V. | Deposit date: | 2020-08-28 | Release date: | 2021-05-19 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Discovery of Potent and Brain-Penetrant Tau Tubulin Kinase 1 (TTBK1) Inhibitors that Lower Tau Phosphorylation In Vivo. J.Med.Chem., 64, 2021
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7JXX
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![BU of 7jxx by Molmil](/molmil-images/mine/7jxx) | Structure of TTBK1 kinase domain in complex with Compound 3 | Descriptor: | 4-(2-amino-5,6,7,8-tetrahydropyrimido[4',5':3,4]cyclohepta[1,2-b]indol-11-yl)-2-methylbut-3-yn-2-ol, SODIUM ION, Tau-tubulin kinase 1 | Authors: | Chodaprambil, J.V. | Deposit date: | 2020-08-28 | Release date: | 2021-05-19 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Discovery of Potent and Brain-Penetrant Tau Tubulin Kinase 1 (TTBK1) Inhibitors that Lower Tau Phosphorylation In Vivo. J.Med.Chem., 64, 2021
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7KRJ
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![BU of 7krj by Molmil](/molmil-images/mine/7krj) | The GR-Maturation Complex: Glucocorticoid Receptor in complex with Hsp90 and co-chaperone p23 | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, DEXAMETHASONE, Glucocorticoid receptor, ... | Authors: | Noddings, C.M, Wang, Y.-R, Agard, D.A. | Deposit date: | 2020-11-20 | Release date: | 2022-01-12 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (2.56 Å) | Cite: | Structure of Hsp90-p23-GR reveals the Hsp90 client-remodelling mechanism. Nature, 601, 2021
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5CZH
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![BU of 5czh by Molmil](/molmil-images/mine/5czh) | |
5CZI
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![BU of 5czi by Molmil](/molmil-images/mine/5czi) | EGFR L858R MUTANT IN COMPLEX WITH A SHC PEPTIDE SUBSTRATE | Descriptor: | Epidermal growth factor receptor, SHC Peptide substrate | Authors: | Yun, C.H, Eck, M.J. | Deposit date: | 2015-07-31 | Release date: | 2015-09-30 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | EGF-receptor specificity for phosphotyrosine-primed substrates provides signal integration with Src. Nat.Struct.Mol.Biol., 22, 2015
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2J3Q
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![BU of 2j3q by Molmil](/molmil-images/mine/2j3q) | Torpedo acetylcholinesterase complexed with fluorophore thioflavin T | Descriptor: | 2-[4-(DIMETHYLAMINO)PHENYL]-6-HYDROXY-3-METHYL-1,3-BENZOTHIAZOL-3-IUM, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, ... | Authors: | Harel, M, Cusack, B, Johnson, J.L, Silman, I, Sussman, J.L, Rosenberry, T.L. | Deposit date: | 2006-08-23 | Release date: | 2007-09-04 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structure of thioflavin T bound to the peripheral site of Torpedo californica acetylcholinesterase reveals how thioflavin T acts as a sensitive fluorescent reporter of ligand binding to the acylation site. J. Am. Chem. Soc., 130, 2008
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