7B7Z
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7B80
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![BU of 7b80 by Molmil](/molmil-images/mine/7b80) | DeAMPylation complex of monomeric FICD and AMPylated BiP (state 2) | 分子名称: | 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, ADENOSINE MONOPHOSPHATE, DI(HYDROXYETHYL)ETHER, ... | 著者 | Perera, L.A, Ron, D. | 登録日 | 2020-12-12 | 公開日 | 2021-07-07 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.87 Å) | 主引用文献 | Structures of a deAMPylation complex rationalise the switch between antagonistic catalytic activities of FICD. Nat Commun, 12, 2021
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6ZYI
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6ZYJ
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![BU of 6zyj by Molmil](/molmil-images/mine/6zyj) | Crystal structure of Hsc70 ATPase domain in complex with ADP and calcium | 分子名称: | ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, ... | 著者 | Yan, Y, Preissler, S, Ron, D. | 登録日 | 2020-08-01 | 公開日 | 2020-12-16 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Calcium depletion challenges endoplasmic reticulum proteostasis by destabilising BiP-substrate complexes. Elife, 9, 2020
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6ZYH
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7A4U
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8QZZ
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![BU of 8qzz by Molmil](/molmil-images/mine/8qzz) | Crystal structure of human eIF2 alpha-gamma complexed with PPP1R15A_420-452 | 分子名称: | Eukaryotic translation initiation factor 2 subunit 1, Eukaryotic translation initiation factor 2 subunit 3, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | 著者 | Yan, Y, Ron, D. | 登録日 | 2023-10-30 | 公開日 | 2024-03-20 | 最終更新日 | 2024-04-10 | 実験手法 | X-RAY DIFFRACTION (3.35 Å) | 主引用文献 | Substrate recruitment via eIF2 gamma enhances catalytic efficiency of a holophosphatase that terminates the integrated stress response. Proc.Natl.Acad.Sci.USA, 121, 2024
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7A4V
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9FS7
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![BU of 9fs7 by Molmil](/molmil-images/mine/9fs7) | Coxsackievirus A16 3C protease in C2 2 21 spacegroup | 分子名称: | Genome polyprotein | 著者 | Fairhead, M, Lithgo, R, MacLean, M, Bowesman-Jones, H, Aschenbrenner, J.C, Balcomb, B.H, Capkin, E, Chandran, A.V, Godoy, A.S, Marples, P.G, Fearon, D, von Delft, F, Koekemoer, L. | 登録日 | 2024-06-20 | 公開日 | 2024-07-10 | 実験手法 | X-RAY DIFFRACTION (1.37 Å) | 主引用文献 | Coxsackievirus A16 3C protease in C2 2 21 spacegroup To Be Published
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9FWC
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![BU of 9fwc by Molmil](/molmil-images/mine/9fwc) | Coxsackievirus B3 3C protease in C121 spacegroup | 分子名称: | Genome polyprotein | 著者 | Fairhead, M, Lithgo, R.M, MacLean, E.M, Bowesman-Jones, H, Aschenbrenner, J.C, Balcomb, B.H, Capkin, E, Chandran, A.V, Godoy, A.S, Marples, P.G, Fearon, D, von Delft, F, Koekemoer, L. | 登録日 | 2024-06-28 | 公開日 | 2024-07-10 | 実験手法 | X-RAY DIFFRACTION (1.34 Å) | 主引用文献 | Coxsackievirus B3 3C protease in C121 spacegroup To Be Published
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4AJG
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![BU of 4ajg by Molmil](/molmil-images/mine/4ajg) | Identification and structural characterization of PDE10 fragment inhibitors | 分子名称: | CAMP AND CAMP-INHIBITED CGMP 3', 5'-CYCLIC PHOSPHODIESTERASE 10A, MAGNESIUM ION, ... | 著者 | Johansson, P, Albert, J.S, Spadola, L, Akerud, T, Back, E, Hillertz, P, Horsefeld, R, Scott, C, Spear, N, Tian, G, Tigerstrom, A, Aharony, D, Geschwindner, S. | 登録日 | 2012-02-16 | 公開日 | 2013-03-06 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Identification and Structural Characterization of Pde10 Fragment Inhibitors To be Published
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4AJF
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![BU of 4ajf by Molmil](/molmil-images/mine/4ajf) | Identification and structural characterization of PDE10 fragment inhibitors | 分子名称: | CAMP AND CAMP-INHIBITED CGMP 3', 5'-CYCLIC PHOSPHODIESTERASE 10A, MAGNESIUM ION, ... | 著者 | Johansson, P, Albert, J.S, Spadola, L, Akerud, T, Back, E, Hillertz, P, Horsefeld, R, Scott, C, Spear, N, Tian, G, Tigerstrom, A, Aharony, D, Geschwindner, S. | 登録日 | 2012-02-16 | 公開日 | 2013-03-06 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Identification and Structural Characterization of Pde10 Fragment Inhibitors To be Published
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2A8H
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![BU of 2a8h by Molmil](/molmil-images/mine/2a8h) | Crystal structure of catalytic domain of TACE with Thiomorpholine Sulfonamide Hydroxamate inhibitor | 分子名称: | 4-({4-[(4-AMINOBUT-2-YNYL)OXY]PHENYL}SULFONYL)-N-HYDROXY-2,2-DIMETHYLTHIOMORPHOLINE-3-CARBOXAMIDE, ADAM 17, ZINC ION | 著者 | Levin, J.I, Chen, J.M, Laakso, L.M, Du, M, Schmid, J, Xu, W, Cummons, T, Xu, J, Jin, G, Barone, D, Skotnicki, J.S. | 登録日 | 2005-07-08 | 公開日 | 2006-02-07 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Acetylenic TACE inhibitors. Part 3: Thiomorpholine sulfonamide hydroxamates. Bioorg.Med.Chem.Lett., 16, 2006
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4AJM
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![BU of 4ajm by Molmil](/molmil-images/mine/4ajm) | Development of a plate-based optical biosensor methodology to identify PDE10 fragment inhibitors | 分子名称: | 3-AMINO-6-FLUORO-2-[4-(2-METHYLPYRIDIN-4-YL)PHENYL]-N-(METHYLSULFONYL)QUINOLINE-4-CARBOXAMIDE, CAMP AND CAMP-INHIBITED CGMP 3', 5'-CYCLIC PHOSPHODIESTERASE 10A, ... | 著者 | Geschwindner, S, Johansson, P, Spadola, L, Akerud, T, Back, E, Hillertz, P, Horsefeld, R, Scott, C, Spear, N, Tian, G, Tigerstrom, A, Aharony, D, Albert, J.S. | 登録日 | 2012-02-16 | 公開日 | 2013-03-06 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Development of a Plate-Based Optical Biosensor Methodology to Identify Pde10 Fragment Inhibitors To be Published
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4AJD
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![BU of 4ajd by Molmil](/molmil-images/mine/4ajd) | Identification and structural characterization of PDE10 fragment inhibitors | 分子名称: | 2-ETHYL-4-METHYL-PHTHALAZIN-1-ONE, CAMP AND CAMP-INHIBITED CGMP 3', 5'-CYCLIC PHOSPHODIESTERASE 10A, ... | 著者 | Johansson, P, Albert, J.S, Spadola, L, Akerud, T, Back, E, Hillertz, P, Horsefeld, R, Scott, C, Spear, N, Tian, G, Tigerstrom, A, Aharony, D, Geschwindner, S. | 登録日 | 2012-02-16 | 公開日 | 2013-03-06 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Identification and Structural Characterization of Pde10 Fragment Inhibitors To be Published
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6S2Y
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![BU of 6s2y by Molmil](/molmil-images/mine/6s2y) | Water-soluble Chlorophyll Protein (WSCP) from Lepidium virginicum with Chlorophyll-b | 分子名称: | CHLOROPHYLL B, Water-soluble chlorophyll protein | 著者 | Agostini, A, Meneghin, E, Gewehr, L, Pedron, D, Palm, D.M, Carbonera, D, Paulsen, H, Jaenicke, E, Collini, E. | 登録日 | 2019-06-23 | 公開日 | 2019-12-18 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | How water-mediated hydrogen bonds affect chlorophyll a/b selectivity in Water-Soluble Chlorophyll Protein. Sci Rep, 9, 2019
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6S2Z
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![BU of 6s2z by Molmil](/molmil-images/mine/6s2z) | Water-soluble Chlorophyll Protein (WSCP) from Brassica oleracea var. Botrytis with Chlorophyll-b | 分子名称: | CHLOROPHYLL B, Water-Soluble Chlorophyll Protein | 著者 | Agostini, A, Meneghin, E, Gewehr, L, Pedron, D, Palm, D.M, Carbonera, D, Paulsen, H, Jaenicke, E, Collini, E. | 登録日 | 2019-06-23 | 公開日 | 2019-12-18 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | How water-mediated hydrogen bonds affect chlorophyll a/b selectivity in Water-Soluble Chlorophyll Protein. Sci Rep, 9, 2019
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6YB7
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![BU of 6yb7 by Molmil](/molmil-images/mine/6yb7) | SARS-CoV-2 main protease with unliganded active site (2019-nCoV, coronavirus disease 2019, COVID-19). | 分子名称: | 3C-like proteinase, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE | 著者 | Owen, C.D, Lukacik, P, Strain-Damerell, C.M, Douangamath, A, Powell, A.J, Fearon, D, Brandao-Neto, J, Crawshaw, A.D, Aragao, D, Williams, M, Flaig, R, Hall, D.R, McAuley, K.E, Mazzorana, M, Stuart, D.I, von Delft, F, Walsh, M.A. | 登録日 | 2020-03-16 | 公開日 | 2020-03-25 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | 主引用文献 | COVID-19 main protease with unliganded active site To Be Published
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6Y84
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![BU of 6y84 by Molmil](/molmil-images/mine/6y84) | SARS-CoV-2 main protease with unliganded active site (2019-nCoV, coronavirus disease 2019, COVID-19) | 分子名称: | 3C-like proteinase nsp5, DIMETHYL SULFOXIDE | 著者 | Owen, C.D, Lukacik, P, Strain-Damerell, C.M, Douangamath, A, Powell, A.J, Fearon, D, Brandao-Neto, J, Crawshaw, A.D, Aragao, D, Williams, M, Flaig, R, Hall, D.R, McAuley, K.E, Mazzorana, M, Stuart, D.I, von Delft, F, Walsh, M.A. | 登録日 | 2020-03-03 | 公開日 | 2020-03-11 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.39 Å) | 主引用文献 | COVID-19 main protease with unliganded active site To Be Published
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8EO7
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![BU of 8eo7 by Molmil](/molmil-images/mine/8eo7) | Crystal structure of metagenomic beta-lactamase LRA-5 Y69Q/V166E mutant at 2.15 Angstrom resolution | 分子名称: | beta-lactamase | 著者 | Power, P, D'Amico Gonzalez, G, Centron, D, Gutkind, G, Handelsman, J, Klinke, S. | 登録日 | 2022-10-02 | 公開日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Playing beta-Lactamase Evolution: Metagenomic Class A beta-Lactamase LRA-5 is an Inactive Enzyme Capable of Rendering an Active beta-Lactamase by Introduction of Y69Q and V166E Substitutions to be published
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8EO6
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![BU of 8eo6 by Molmil](/molmil-images/mine/8eo6) | Crystal structure of metagenomic class A beta-lactamase precursor LRA-5 in complex with ceftazidime at 2.35 Angstrom resolution | 分子名称: | ACYLATED CEFTAZIDIME, LRA-5 | 著者 | Power, P, D'Amico Gonzalez, G, Centron, D, Gutkind, G, Handelsman, J, Klinke, S. | 登録日 | 2022-10-02 | 公開日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Playing beta-Lactamase Evolution: Metagenomic Class A beta-Lactamase LRA-5 is an Inactive Enzyme Capable of Rendering an Active beta-Lactamase by Introduction of Y69Q and V166E Substitutions to be published
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2VA7
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![BU of 2va7 by Molmil](/molmil-images/mine/2va7) | X-ray crystal structure of beta secretase complexed with compound 27 | 分子名称: | (6R)-2-amino-6-[2-(3'-methoxybiphenyl-3-yl)ethyl]-3,6-dimethyl-5,6-dihydropyrimidin-4(3H)-one, BETA-SECRETASE 1 ., IODIDE ION | 著者 | Edwards, P.D, Albert, J.S, Sylvester, M, Aharony, D, Andisik, D, Callaghan, O, Campbell, J.B, Carr, R.A, Chessari, G, Congreve, M, Frederickson, M, Folmer, R.H.A, Geschwindner, S, Koether, G, Kolmodin, K, Krumrine, J, Mauger, R.C, Murray, C.W, Olsson, L.L, Patel, S, Spear, N, Tian, G. | 登録日 | 2007-08-30 | 公開日 | 2007-11-13 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Application of Fragment-Based Lead Generation to the Discovery of Novel, Cyclic Amidine Beta-Secretase Inhibitors with Nanomolar Potency, Cellular Activity, and High Ligand Efficiency. J.Med.Chem., 50, 2007
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2VA5
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![BU of 2va5 by Molmil](/molmil-images/mine/2va5) | X-ray crystal structure of beta secretase complexed with compound 8c | 分子名称: | 2-amino-6-[2-(1H-indol-6-yl)ethyl]pyrimidin-4(3H)-one, BETA-SECRETASE 1 ., IODIDE ION | 著者 | Edwards, P.D, Albert, J.S, Sylvester, M, Aharony, D, Andisik, D, Callaghan, O, Campbell, J.B, Carr, R.A, Chessari, G, Congreve, M, Frederickson, M, Folmer, R.H.A, Geschwindner, S, Koether, G, Kolmodin, K, Krumrine, J, Mauger, R.C, Murray, C.W, Olsson, L, Patel, S, Spear, N, Tian, G. | 登録日 | 2007-08-30 | 公開日 | 2007-11-13 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | 主引用文献 | Application of Fragment-Based Lead Generation to the Discovery of Novel, Cyclic Amidine Beta-Secretase Inhibitors with Nanomolar Potency, Cellular Activity, and High Ligand Efficiency. J.Med.Chem., 50, 2007
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8EO5
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![BU of 8eo5 by Molmil](/molmil-images/mine/8eo5) | Crystal structure of the class A beta-lactamase precursor LRA-5 from an Alaskan soil metagenome at 1.8 Angstrom resolution | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, LRA-5 | 著者 | Power, P, D'Amico Gonzalez, G, Centron, D, Gutkind, G, Handelsman, J, Klinke, S. | 登録日 | 2022-10-02 | 公開日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Playing beta-Lactamase Evolution: Metagenomic Class A beta-Lactamase LRA-5 is an Inactive Enzyme Capable of Rendering an Active beta-Lactamase by Introduction of Y69Q and V166E Substitutions to be published
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2VA6
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![BU of 2va6 by Molmil](/molmil-images/mine/2va6) | X-ray crystal structure of beta secretase complexed with compound 24 | 分子名称: | (6S)-2-amino-6-(3'-methoxybiphenyl-3-yl)-3,6-dimethyl-5,6-dihydropyrimidin-4(3H)-one, BETA SECRETASE 1, IODIDE ION | 著者 | Edwards, P.D, Albert, J.S, Sylvester, M, Aharony, D, Andisik, D, Callaghan, O, Campbell, J.B, Carr, R.A, Chessari, G, Congreve, M, Frederickson, M, Folmer, R.H.A, Geschwindner, S, Koether, G, Kolmodin, K, Krumrine, J, Mauger, R.C, Murray, C.W, Olsson, L.L, Patel, S, Spear, N, Tian, G. | 登録日 | 2007-08-30 | 公開日 | 2007-11-13 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Application of Fragment-Based Lead Generation to the Discovery of Novel, Cyclic Amidine Beta-Secretase Inhibitors with Nanomolar Potency, Cellular Activity, and High Ligand Efficiency. J.Med.Chem., 50, 2007
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