5DNS
 
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5DN0
 | | t1555 loop variant | | 分子名称: | beta1 t1555 loop variant | | 著者 | MacDonald, J.T, Kabasakal, B.V, Murray, J.W. | | 登録日 | 2015-09-09 | | 公開日 | 2016-08-31 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (4.4 Å) | | 主引用文献 | 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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5DI5
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4YFO
 | | beta1_ex1 | | 分子名称: | beta1_ex1 | | 著者 | Murray, J.W, MacDonald, J.T. | | 登録日 | 2015-02-25 | | 公開日 | 2016-03-16 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (3.39 Å) | | 主引用文献 | 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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5N8N
 | | Contracted sheath of a Pseudomonas aeruginosa type six secretion system consisting of TssB1 and TssC1 | | 分子名称: | EvpB family type VI secretion protein, Type VI secretion protein, family | | 著者 | Salih, O, He, S, Stach, L, Macdonald, J.T, Planamente, S, Manoli, E, Scheres, S, Filloux, A, Freemont, P.S. | | 登録日 | 2017-02-23 | | 公開日 | 2018-01-10 | | 最終更新日 | 2018-02-14 | | 実験手法 | ELECTRON MICROSCOPY (3.28 Å) | | 主引用文献 | Atomic Structure of Type VI Contractile Sheath from Pseudomonas aeruginosa.
Structure, 26, 2018
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1W3J
 | | Family 1 b-glucosidase from Thermotoga maritima in complex with tetrahydrooxazine | | 分子名称: | BETA-GLUCOSIDASE, TETRAHYDROOXAZINE | | 著者 | Gloster, T.M, Macdonald, J.M, Tarling, C.A, Stick, R.V, Withers, S.W, Davies, G.J. | | 登録日 | 2004-07-16 | | 公開日 | 2004-09-08 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structural, Thermodynamic, and Kinetic Analyses of Tetrahydrooxazine-Derived Inhibitors Bound to {Beta}-Glucosidases
J.Biol.Chem., 279, 2004
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7Q4M
 | | Type II beta-amyloid 42 Filaments from Human Brain | | 分子名称: | Amyloid-beta precursor protein, UNKNOWN ATOM OR ION | | 著者 | 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. | | 登録日 | 2021-11-01 | | 公開日 | 2021-11-24 | | 最終更新日 | 2023-03-08 | | 実験手法 | ELECTRON MICROSCOPY (2.8 Å) | | 主引用文献 | 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 | | 分子名称: | Amyloid-beta precursor protein, UNKNOWN ATOM OR ION | | 著者 | 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. | | 登録日 | 2021-10-30 | | 公開日 | 2021-11-24 | | 最終更新日 | 2023-03-08 | | 実験手法 | ELECTRON MICROSCOPY (2.5 Å) | | 主引用文献 | Cryo-EM structures of amyloid-beta 42 filaments from human brains.
Science, 375, 2022
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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 | | 分子名称: | 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 | | 著者 | Coker, J.A, Arya, T, Goins, C.M, Maw, J.J, Macdonald, J.D, Stauffer, S.R. | | 登録日 | 2023-04-10 | | 公開日 | 2024-02-21 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Discovery and Characterization of Selective, First-in-Class Inhibitors of Citron Kinase.
J.Med.Chem., 67, 2024
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1W3K
 | | ENDOGLUCANASE CEL5A FROM BACILLUS AGARADHAERENS IN COMPLEX WITH CELLOBIO DERIVED-TETRAHYDROOXAZINE | | 分子名称: | ENDOGLUCANASE 5A, GLYCEROL, SULFATE ION, ... | | 著者 | Gloster, T.M, Macdonald, J.M, Tarling, C.A, Stick, R.V, Withers, S.W, Davies, G.J. | | 登録日 | 2004-07-16 | | 公開日 | 2004-09-08 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 主引用文献 | Structural, Thermodynamic, and Kinetic Analyses of Tetrahydrooxazine-Derived Inhibitors Bound to {Beta}-Glucosidases
J.Biol.Chem., 279, 2004
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1W3L
 | | ENDOGLUCANASE CEL5A FROM BACILLUS AGARADHAERENS IN COMPLEX WITH CELLOTRI DERIVED-TETRAHYDROOXAZINE | | 分子名称: | ENDOGLUCANASE 5A, GLYCEROL, SULFATE ION, ... | | 著者 | Gloster, T.M, Macdonald, J.M, Tarling, C.A, Stick, R.V, Withers, S.W, Davies, G.J. | | 登録日 | 2004-07-16 | | 公開日 | 2004-09-08 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.04 Å) | | 主引用文献 | Structural, Thermodynamic, and Kinetic Analyses of Tetrahydrooxazine-Derived Inhibitors Bound to {Beta}-Glucosidases
J.Biol.Chem., 279, 2004
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8BG9
 | | Murine amyloid-beta filaments with the Arctic mutation (E22G) from APP(NL-G-F) mouse brains | ABeta | | 分子名称: | Amyloid-beta protein 40 | | 著者 | 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. | | 登録日 | 2022-10-27 | | 公開日 | 2023-01-18 | | 最終更新日 | 2023-02-22 | | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | | 主引用文献 | 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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8BG0
 | | Amyloid-beta tetrameric filaments with the Arctic mutation (E22G) from Alzheimer's disease brains | ABeta40 | | 分子名称: | Amyloid-beta precursor protein | | 著者 | 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. | | 登録日 | 2022-10-27 | | 公開日 | 2023-01-18 | | 最終更新日 | 2023-02-22 | | 実験手法 | ELECTRON MICROSCOPY (1.9 Å) | | 主引用文献 | 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 | | 分子名称: | Amyloid-beta precursor protein | | 著者 | 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. | | 登録日 | 2022-10-27 | | 公開日 | 2023-01-18 | | 最終更新日 | 2024-01-31 | | 実験手法 | ELECTRON MICROSCOPY (2.8 Å) | | 主引用文献 | 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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5VJA
 | | Crystal Structure of human zipper-interacting protein kinase (ZIPK, alias DAPK3) in complex with a pyrazolo[3,4-d]pyrimidinone ligand (HS38) | | 分子名称: | (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, ... | | 著者 | Carlson, D.A, Singer, M.R, Sutherland, C, Redondo, C, Alexander, L, Hughes, P.F, Knapp, S, MacDonald, J.A, Haystead, T.A.J. | | 登録日 | 2017-04-19 | | 公開日 | 2018-08-08 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.46 Å) | | 主引用文献 | Targeting Pim Kinases and DAPK3 to Control Hypertension.
Cell Chem Biol, 25, 2018
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8Q96
 | | P301S Tau Filaments from the Brains of Tg2541 Transgenic Mouse Line | | 分子名称: | Isoform Tau-E of Microtubule-associated protein tau, Unknown protein | | 著者 | Schweighauser, M, Murzin, A.G, Macdonald, J, Lavenir, I, Crowther, R.A, Scheres, S.H.W, Goedert, M. | | 登録日 | 2023-08-19 | | 公開日 | 2023-10-11 | | 最終更新日 | 2023-10-18 | | 実験手法 | ELECTRON MICROSCOPY (3.09 Å) | | 主引用文献 | 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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8Q92
 | | P301S Tau Filaments from the Brains of PS19 Transgenic Mouse Line | | 分子名称: | Microtubule-associated protein tau | | 著者 | Schweighauser, M, Murzin, A.G, Macdonald, J, Lavenir, I, Crowther, R.A, Scheres, S.H.W, Goedert, M. | | 登録日 | 2023-08-19 | | 公開日 | 2023-10-11 | | 最終更新日 | 2023-10-18 | | 実験手法 | ELECTRON MICROSCOPY (3.05 Å) | | 主引用文献 | 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 | | 分子名称: | 5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINE, ENDOGLUCANASE 5A, GLYCEROL, ... | | 著者 | Varrot, A, Macdonald, J, Stick, R.V, Withers, S.G, Davies, G.J. | | 登録日 | 2003-02-09 | | 公開日 | 2003-06-26 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.08 Å) | | 主引用文献 | Direct Observation of the Protonation State of an Imino Sugar Glycosidase Inhibitor Upon Binding
J.Am.Chem.Soc., 125, 2003
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7LMI
 | | SARS-CoV-1 3CLPro in complex with N-(4-(1H-pyrazol-4-yl)phenyl)-2-(1H-benzo[d][1,2,3]triazol-1-yl)-N-(thiophen-3-ylmethyl)acetamide | | 分子名称: | 2-(benzotriazol-1-yl)-~{N}-[4-(1~{H}-pyrazol-4-yl)phenyl]-~{N}-(thiophen-3-ylmethyl)ethanamide, 3C-like proteinase, GLYCEROL | | 著者 | Arya, T, Goins, C.M, Macdonald, J.D, Stauffer, S.R. | | 登録日 | 2021-02-05 | | 公開日 | 2021-08-11 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.707 Å) | | 主引用文献 | Structure-Based Optimization of ML300-Derived, Noncovalent Inhibitors Targeting the Severe Acute Respiratory Syndrome Coronavirus 3CL Protease (SARS-CoV-2 3CL pro ).
J.Med.Chem., 65, 2022
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7LMD
 | | SARS-CoV-2 3CLPro in complex with 2-(benzotriazol-1-yl)-N-[4-(1H-pyrazol-4-yl)phenyl]-N-(3-thienylmethyl)acetamide | | 分子名称: | 2-(benzotriazol-1-yl)-~{N}-[4-(1~{H}-pyrazol-4-yl)phenyl]-~{N}-(thiophen-3-ylmethyl)ethanamide, 3C-like proteinase | | 著者 | Goins, C.M, Arya, T, Macdonald, J.D, Stauffer, S.R. | | 登録日 | 2021-02-05 | | 公開日 | 2021-08-11 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | | 主引用文献 | Structure-Based Optimization of ML300-Derived, Noncovalent Inhibitors Targeting the Severe Acute Respiratory Syndrome Coronavirus 3CL Protease (SARS-CoV-2 3CL pro ).
J.Med.Chem., 65, 2022
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7LME
 | | SARS-CoV-2 3CLPro in complex with N-[4-[[2-(benzotriazol-1-yl)acetyl]-(3-thienylmethyl)amino]phenyl]cyclopropanecarboxamide | | 分子名称: | 3C-like proteinase, ~{N}-[4-[2-(benzotriazol-1-yl)ethanoyl-(thiophen-3-ylmethyl)amino]phenyl]cyclopropanecarboxamide | | 著者 | Goins, C.M, Arya, T, Macdonald, J.D, Stauffer, S.R. | | 登録日 | 2021-02-05 | | 公開日 | 2021-08-11 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structure-Based Optimization of ML300-Derived, Noncovalent Inhibitors Targeting the Severe Acute Respiratory Syndrome Coronavirus 3CL Protease (SARS-CoV-2 3CL pro ).
J.Med.Chem., 65, 2022
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7LMH
 | | SARS-CoV-1 3CLPro in complex with 2-(1H-benzo[d][1,2,3]triazol-1-yl)-N-(4-(pyridin-3-yl)phenyl)-N-(thiophen-3-ylmethyl)acetamide | | 分子名称: | 2-(benzotriazol-1-yl)-~{N}-(4-pyridin-3-ylphenyl)-~{N}-(thiophen-3-ylmethyl)ethanamide, 3C-like proteinase, GLYCEROL | | 著者 | Arya, T, Goins, C.M, Macdonald, J.D, Stauffer, S.R. | | 登録日 | 2021-02-05 | | 公開日 | 2021-08-11 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Structure-Based Optimization of ML300-Derived, Noncovalent Inhibitors Targeting the Severe Acute Respiratory Syndrome Coronavirus 3CL Protease (SARS-CoV-2 3CL pro ).
J.Med.Chem., 65, 2022
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7LMJ
 | | SARS-CoV-1 3CLPro in complex with 2-(1H-benzo[d][1,2,3]triazol-1-yl)-N-(3-chlorobenzyl)-N-(4-(2-oxo-1,2-dihydropyridin-3-yl)phenyl)acetamide | | 分子名称: | 2-(benzotriazol-1-yl)-~{N}-[(3-chlorophenyl)methyl]-~{N}-[4-(2-oxidanylidene-1~{H}-pyridin-3-yl)phenyl]ethanamide, 3C-like proteinase, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Arya, T, Goins, C.M, Macdonald, J.D, Stauffer, S.R. | | 登録日 | 2021-02-05 | | 公開日 | 2021-08-11 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.686 Å) | | 主引用文献 | Structure-Based Optimization of ML300-Derived, Noncovalent Inhibitors Targeting the Severe Acute Respiratory Syndrome Coronavirus 3CL Protease (SARS-CoV-2 3CL pro ).
J.Med.Chem., 65, 2022
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7LMF
 | | SARS-CoV-2 3CLPro in complex with 2-(benzotriazol-1-yl)-N-[4-(1H-imidazol-4-yl)phenyl]-N-(3-thienylmethyl)acetamide | | 分子名称: | 2-(benzotriazol-1-yl)-~{N}-[4-(1~{H}-imidazol-4-yl)phenyl]-~{N}-(thiophen-3-ylmethyl)ethanamide, 3C-like proteinase | | 著者 | Goins, C.M, Arya, T, Macdonald, J.D, Stauffer, S.R. | | 登録日 | 2021-02-05 | | 公開日 | 2021-08-11 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Structure-Based Optimization of ML300-Derived, Noncovalent Inhibitors Targeting the Severe Acute Respiratory Syndrome Coronavirus 3CL Protease (SARS-CoV-2 3CL pro ).
J.Med.Chem., 65, 2022
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7LMG
 | | SARS-CoV-1 3CLPro in complex with N-(4-(1H-imidazol-4-yl)phenyl)-2-(1H-benzo[d][1,2,3]triazol-1-yl)-N-(thiophen-3-ylmethyl)acetamide | | 分子名称: | 2-(benzotriazol-1-yl)-~{N}-[4-(1~{H}-imidazol-4-yl)phenyl]-~{N}-(thiophen-3-ylmethyl)ethanamide, 3C-like proteinase, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Arya, T, Goins, C.M, Macdonald, J.D, Stauffer, S.R. | | 登録日 | 2021-02-05 | | 公開日 | 2021-08-11 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Structure-Based Optimization of ML300-Derived, Noncovalent Inhibitors Targeting the Severe Acute Respiratory Syndrome Coronavirus 3CL Protease (SARS-CoV-2 3CL pro ).
J.Med.Chem., 65, 2022
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