5DI5
| beta1 t801 loop variant in P3221 | Descriptor: | beta1 t801 loop variant | Authors: | MacDonald, J.T, Kabasakal, B.V, Murray, J.W. | Deposit date: | 2015-08-31 | Release date: | 2016-08-31 | Last modified: | 2016-10-12 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Synthetic beta-solenoid proteins with the fragment-free computational design of a beta-hairpin extension. Proc.Natl.Acad.Sci.USA, 113, 2016
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5DNS
| t1428 loop variant in P3221 | Descriptor: | t1428 beta1 loop design | Authors: | MacDonald, J.T, Kabasakal, B.V, Murray, J.W. | Deposit date: | 2015-09-10 | Release date: | 2016-09-28 | Last modified: | 2016-10-12 | Method: | X-RAY DIFFRACTION (3.561 Å) | Cite: | Synthetic beta-solenoid proteins with the fragment-free computational design of a beta-hairpin extension. Proc.Natl.Acad.Sci.USA, 113, 2016
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5DN0
| t1555 loop variant | Descriptor: | beta1 t1555 loop variant | Authors: | MacDonald, J.T, Kabasakal, B.V, Murray, J.W. | Deposit date: | 2015-09-09 | Release date: | 2016-08-31 | Last modified: | 2016-10-12 | Method: | X-RAY DIFFRACTION (4.4 Å) | Cite: | Synthetic beta-solenoid proteins with the fragment-free computational design of a beta-hairpin extension. Proc.Natl.Acad.Sci.USA, 113, 2016
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8SF8
| Structure of bovine PKA bound to (R)-N-(4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl)-2-amino-4-methylpentanamide | Descriptor: | N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]-D-leucinamide, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha | Authors: | Coker, J.A, Arya, T, Goins, C.M, Maw, J.J, Macdonald, J.D, Stauffer, S.R. | Deposit date: | 2023-04-10 | Release date: | 2024-02-21 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Discovery and Characterization of Selective, First-in-Class Inhibitors of Citron Kinase. J.Med.Chem., 67, 2024
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8Q96
| P301S Tau Filaments from the Brains of Tg2541 Transgenic Mouse Line | Descriptor: | Isoform Tau-E of Microtubule-associated protein tau, Unknown protein | Authors: | Schweighauser, M, Murzin, A.G, Macdonald, J, Lavenir, I, Crowther, R.A, Scheres, S.H.W, Goedert, M. | Deposit date: | 2023-08-19 | Release date: | 2023-10-11 | Last modified: | 2023-10-18 | Method: | ELECTRON MICROSCOPY (3.09 Å) | Cite: | Cryo-EM structures of tau filaments from the brains of mice transgenic for human mutant P301S Tau. Acta Neuropathol Commun, 11, 2023
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7Q4M
| Type II beta-amyloid 42 Filaments from Human Brain | Descriptor: | Amyloid-beta precursor protein, UNKNOWN ATOM OR ION | Authors: | Yang, Y, Arseni, D, Zhang, W, Huang, M, Lovestam, S.K.A, Schweighauser, M, Kotecha, A, Murzin, A.G, Peak-Chew, S.Y, Macdonald, J, Lavenir, I, Garringer, H.J, Gelpi, E, Newell, K.L, Kovacs, G.G, Vidal, R, Ghetti, B, Falcon, B, Scheres, S.H.W, Goedert, M. | Deposit date: | 2021-11-01 | Release date: | 2021-11-24 | Last modified: | 2023-03-08 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Cryo-EM structures of amyloid-beta 42 filaments from human brains. Science, 375, 2022
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7Q4B
| Type I beta-amyloid 42 Filaments from Human Brain | Descriptor: | Amyloid-beta precursor protein, UNKNOWN ATOM OR ION | Authors: | Yang, Y, Arseni, D, Zhang, W, Huang, M, Lovestam, S.K.A, Schweighauser, M, Kotecha, A, Murzin, A.G, Peak-Chew, S.Y, Macdonald, J, Lavenir, I, Garringer, H.J, Gelpi, E, Newell, K.L, Kovacs, G.G, Vidal, R, Ghetti, B, Falcon, B, Scheres, S.H.W, Goedert, M. | Deposit date: | 2021-10-30 | Release date: | 2021-11-24 | Last modified: | 2023-03-08 | Method: | ELECTRON MICROSCOPY (2.5 Å) | Cite: | Cryo-EM structures of amyloid-beta 42 filaments from human brains. Science, 375, 2022
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8BG0
| Amyloid-beta tetrameric filaments with the Arctic mutation (E22G) from Alzheimer's disease brains | ABeta40 | Descriptor: | Amyloid-beta precursor protein | Authors: | Yang, Y, Zhang, W.J, Murzin, A.G, Schweighauser, M, Huang, M, Lovestam, S.K.A, Peak-Chew, S.Y, Macdonald, J, Lavenir, I, Ghetti, B, Graff, C, Kumar, A, Nordber, A, Goedert, M, Scheres, S.H.W. | Deposit date: | 2022-10-27 | Release date: | 2023-01-18 | Last modified: | 2023-02-22 | Method: | ELECTRON MICROSCOPY (1.9 Å) | Cite: | Cryo-EM structures of amyloid-beta filaments with the Arctic mutation (E22G) from human and mouse brains. Acta Neuropathol, 145, 2023
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8BFZ
| Amyloid-beta 42 filaments extracted from the human brain with Arctic mutation (E22G) of Alzheimer's disease | ABeta42 | Descriptor: | Amyloid-beta precursor protein | Authors: | Yang, Y, Zhang, W.J, Murzin, A.G, Schweighauser, M, Huang, M, Lovestam, S.K.A, Peak-Chew, S.Y, Macdonald, J, Lavenir, I, Ghetti, B, Graff, C, Kumar, A, Nordberg, A, Goedert, M, Scheres, S.H.W. | Deposit date: | 2022-10-27 | Release date: | 2023-01-18 | Last modified: | 2024-01-31 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Cryo-EM structures of amyloid-beta filaments with the Arctic mutation (E22G) from human and mouse brains. Acta Neuropathol, 145, 2023
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8BG9
| Murine amyloid-beta filaments with the Arctic mutation (E22G) from APP(NL-G-F) mouse brains | ABeta | Descriptor: | Amyloid-beta protein 40 | Authors: | Yang, Y, Zhang, W.J, Murzin, A.G, Schweighauser, M, Huang, M, Lovestam, S.K.A, Peak-Chew, S.Y, Macdonald, J, Lavenir, I, Ghetti, B, Graff, C, Kumar, A, Nordber, A, Goedert, M, Scheres, S.H.W. | Deposit date: | 2022-10-27 | Release date: | 2023-01-18 | Last modified: | 2023-02-22 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Cryo-EM structures of amyloid-beta filaments with the Arctic mutation (E22G) from human and mouse brains. Acta Neuropathol, 145, 2023
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4YFO
| beta1_ex1 | Descriptor: | beta1_ex1 | Authors: | Murray, J.W, MacDonald, J.T. | Deposit date: | 2015-02-25 | Release date: | 2016-03-16 | Last modified: | 2017-08-30 | Method: | X-RAY DIFFRACTION (3.39 Å) | Cite: | Synthetic beta-solenoid proteins with the fragment-free computational design of a beta-hairpin extension. Proc.Natl.Acad.Sci.USA, 113, 2016
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8Q92
| P301S Tau Filaments from the Brains of PS19 Transgenic Mouse Line | Descriptor: | Microtubule-associated protein tau | Authors: | Schweighauser, M, Murzin, A.G, Macdonald, J, Lavenir, I, Crowther, R.A, Scheres, S.H.W, Goedert, M. | Deposit date: | 2023-08-19 | Release date: | 2023-10-11 | Last modified: | 2023-10-18 | Method: | ELECTRON MICROSCOPY (3.05 Å) | Cite: | Cryo-EM structures of tau filaments from the brains of mice transgenic for human mutant P301S Tau. Acta Neuropathol Commun, 11, 2023
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1OCQ
| COMPLEX OF THE ENDOGLUCANASE CEL5A FROM BACILLUS AGARADHEARANS AT 1.08 ANGSTROM RESOLUTION with cellobio-derived isofagomine | Descriptor: | 5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINE, ENDOGLUCANASE 5A, GLYCEROL, ... | Authors: | Varrot, A, Macdonald, J, Stick, R.V, Withers, S.G, Davies, G.J. | Deposit date: | 2003-02-09 | Release date: | 2003-06-26 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.08 Å) | Cite: | Direct Observation of the Protonation State of an Imino Sugar Glycosidase Inhibitor Upon Binding J.Am.Chem.Soc., 125, 2003
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2BVD
| HOW FAMILY 26 GLYCOSIDE HYDROLASES ORCHESTRATE CATALYSIS ON DIFFERENT POLYSACCHARIDES. STRUCTURE AND ACTIVITY OF A CLOSTRIDIUM THERMOCELLUM LICHENASE, CtLIC26A | Descriptor: | (3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)piperidin-3-yl beta-D-glucopyranoside, ENDOGLUCANASE H | Authors: | Taylor, E.J, Goyal, A, Guerreiro, C.I.P.D, Prates, J.A.M, Money, V.A, Ferry, N, Morland, C, Planas, A, Macdonald, J.A, Stick, R.V, Gilbert, H.J, Fontes, C.M.G.A, Davies, G.J. | Deposit date: | 2005-06-27 | Release date: | 2005-06-30 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | How Family 26 Glycoside Hydrolases Orchestrate Catalysis on Different Polysaccharides: Structure and Activity of a Clostridium Thermocellum Lichenase, Ctlic26A. J.Biol.Chem., 280, 2005
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2BV9
| HOW FAMILY 26 GLYCOSIDE HYDROLASES ORCHESTRATE CATALYSIS ON DIFFERENT POLYSACCHARIDES. STRUCTURE AND ACTIVITY OF A CLOSTRIDIUM THERMOCELLUM LICHENASE, CtLIC26A | Descriptor: | ENDOGLUCANASE H | Authors: | Taylor, E.J, Goyal, A, Guerreiro, C.I.P.D, Prates, J.A.M, Money, V.A, Ferry, N, Morland, C, Planas, A, Macdonald, J.A, Stick, R.V, Gilbert, H.J, Fontes, C.M.G.A, Davies, G.J. | Deposit date: | 2005-06-23 | Release date: | 2005-06-30 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | How Family 26 Glycoside Hydrolases Orchestrate Catalysis on Different Polysaccharides: Structure and Activity of a Clostridium Thermocellum Lichenase, Ctlic26A. J.Biol.Chem., 280, 2005
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5VJA
| Crystal Structure of human zipper-interacting protein kinase (ZIPK, alias DAPK3) in complex with a pyrazolo[3,4-d]pyrimidinone ligand (HS38) | Descriptor: | (2R)-2-{[1-(3-chlorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}propanamide, DIMETHYL SULFOXIDE, Death-associated protein kinase 3, ... | Authors: | Carlson, D.A, Singer, M.R, Sutherland, C, Redondo, C, Alexander, L, Hughes, P.F, Knapp, S, MacDonald, J.A, Haystead, T.A.J. | Deposit date: | 2017-04-19 | Release date: | 2018-08-08 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.46 Å) | Cite: | Targeting Pim Kinases and DAPK3 to Control Hypertension. Cell Chem Biol, 25, 2018
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5N8N
| Contracted sheath of a Pseudomonas aeruginosa type six secretion system consisting of TssB1 and TssC1 | Descriptor: | EvpB family type VI secretion protein, Type VI secretion protein, family | Authors: | Salih, O, He, S, Stach, L, Macdonald, J.T, Planamente, S, Manoli, E, Scheres, S, Filloux, A, Freemont, P.S. | Deposit date: | 2017-02-23 | Release date: | 2018-01-10 | Last modified: | 2018-02-14 | Method: | ELECTRON MICROSCOPY (3.28 Å) | Cite: | Atomic Structure of Type VI Contractile Sheath from Pseudomonas aeruginosa. Structure, 26, 2018
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1OIM
| Family 1 b-glucosidase from Thermotoga maritima | Descriptor: | 1-DEOXYNOJIRIMYCIN, BETA-GLUCOSIDASE A | Authors: | Gloster, T, Zechel, D.L, Boraston, A.B, Boraston, C.M, Macdonald, J.M, Tilbrook, D.M, Stick, R.V, Davies, G.J. | Deposit date: | 2003-06-19 | Release date: | 2003-11-25 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Iminosugar Glycosidase Inhibitors: Structural and Thermodynamic Dissection of the Binding of Isofagomine and 1-Deoxynojirimycin to Beta-Glucosidases J.Am.Chem.Soc., 125, 2003
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1OIF
| Family 1 b-glucosidase from Thermotoga maritima | Descriptor: | 5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINE, BETA-GLUCOSIDASE | Authors: | Gloster, T, Zechel, D, Boraston, A.B, Boraston, C.M, Macdonald, J.M, Tilbrook, D.M, Stick, R.V, Davies, G.J. | Deposit date: | 2003-06-16 | Release date: | 2003-11-25 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Iminosugar Glycosidase Inhibitors: Structural and Thermodynamic Dissection of the Binding of Isofagomine and 1-Deoxynojirimycin to Beta-Glucosidases J.Am.Chem.Soc., 125, 2003
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1OIN
| Family 1 b-glucosidase from Thermotoga maritima | Descriptor: | 2-deoxy-2-fluoro-alpha-D-glucopyranose, BETA-GLUCOSIDASE A | Authors: | Gloster, T, Zechel, D.L, Boraston, A.B, Boraston, C.M, Macdonald, J.M, Tilbrook, D.M, Stick, R.V, Davies, G.J. | Deposit date: | 2003-06-19 | Release date: | 2003-11-25 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Iminosugar Glycosidase Inhibitors: Structural and Thermodynamic Dissection of the Binding of Isofagomine and 1-Deoxynojirimycin to Beta-Glucosidases J.Am.Chem.Soc., 125, 2003
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1OCN
| Mutant D416A of the CELLOBIOHYDROLASE CEL6A FROM HUMICOLA INSOLENS in complex with a cellobio-derived isofagomine at 1.3 angstrom resolution | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINE, CALCIUM ION, ... | Authors: | Varrot, A, Macdonald, J, Stick, R.V, Pell, G, Gilbert, H.J, Davies, G.J. | Deposit date: | 2003-02-09 | Release date: | 2003-05-22 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.31 Å) | Cite: | Distortion of a Cellobio-Derived Isofagomine Highlights the Potential Conformational Itinerary of Inverting Beta-Glucosidases Chem.Commun.(Camb.), 21, 2003
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1OD0
| Family 1 b-glucosidase from Thermotoga maritima | Descriptor: | BETA-GLUCOSIDASE A | Authors: | Gloster, T, Zechel, D.L, Boraston, A.B, Boraston, C.M, Macdonald, J.M, Tilbrook, D.M, Stick, R.V, Davies, G.J. | Deposit date: | 2003-02-12 | Release date: | 2003-03-06 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Iminosugar Glycosidase Inhibitors: Structural and Thermodynamic Dissection of the Binding of Isofagomine and 1-Deoxynojirimycin to Beta-Glucosidases J.Am.Chem.Soc., 125, 2003
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1UZ1
| Family 1 b-glucosidase from Thermotoga maritima in complex with isofagomine lactam | Descriptor: | (3S,4R,5R)-3,4-DIHYDROXY-5-(HYDROXYMETHYL)PIPERIDIN-2-ONE, BETA-GLUCOSIDASE A | Authors: | Gloster, T.M, Macdonald, J, Stick, R.V, Davies, G.J. | Deposit date: | 2004-03-03 | Release date: | 2004-11-23 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Common Inhibition of Both -Glucosidases and -Mannosidases by Isofagomine Lactam Reflects Different Conformational Itineraries for Pyranoside Hydrolysis Chembiochem, 5, 2004
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2WLZ
| Chitinase A from Serratia marcescens ATCC990 in complex with Chitobio- thiazoline. | Descriptor: | 1,4-DIETHYLENE DIOXIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 3AR,5R,6S,7R,7AR-5-HYDROXYMETHYL-2-METHYL-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D]THIAZOLE-6,7-DIOL, ... | Authors: | Taylor, E.J, Dennis, R.J, Macdonald, J.M, Tarling, C.A, Knapp, S, Withers, S.G, Davies, G.J. | Deposit date: | 2009-06-29 | Release date: | 2010-03-16 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Chitinase Inhibition by Chitobiose and Chitotriose Thiazolines. Angew.Chem.Int.Ed.Engl., 49, 2010
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2WLY
| Chitinase A from Serratia marcescens ATCC990 in complex with Chitotrio-thiazoline. | Descriptor: | 1,4-DIETHYLENE DIOXIDE, 2-deoxy-2-(ethanethioylamino)-beta-D-glucopyranose, 3AR,5R,6S,7R,7AR-5-HYDROXYMETHYL-2-METHYL-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D]THIAZOLE-6,7-DIOL, ... | Authors: | Taylor, E.J, Dennis, R.J, Macdonald, J.M, Tarling, C.A, Knapp, S, Withers, S.G, Davies, G.J. | Deposit date: | 2009-06-29 | Release date: | 2010-03-16 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Chitinase inhibition by chitobiose and chitotriose thiazolines. Angew. Chem. Int. Ed. Engl., 49, 2010
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