8DGG
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![BU of 8dgg by Molmil](/molmil-images/mine/8dgg) | Structure of glycosylated LAG-3 homodimer | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Silberstein, J.L, Mathews, I.I, Frank, J.A, Chan, K.-W, Fernandez, D, Du, J, Wang, J, Kong, X.-P, Cochran, J.R. | 登録日 | 2022-06-23 | 公開日 | 2022-08-17 | 最終更新日 | 2024-08-07 | 実験手法 | X-RAY DIFFRACTION (3.78 Å) | 主引用文献 | Structural insights reveal interplay between LAG-3 homodimerization, ligand binding, and function. Proc.Natl.Acad.Sci.USA, 121, 2024
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8BS1
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![BU of 8bs1 by Molmil](/molmil-images/mine/8bs1) | Room-temperature structure of SARS-CoV-2 Main protease at atmospheric pressure | 分子名称: | 3C-like proteinase, DIMETHYL SULFOXIDE | 著者 | Lieske, J, Saouane, S, Guenther, S, Reinke, P.Y.A, Rahmani Mashhour, A, Meents, A. | 登録日 | 2022-11-24 | 公開日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | High-pressure macromolecular crystallography to explore the conformational space of proteins To Be Published
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8BS2
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![BU of 8bs2 by Molmil](/molmil-images/mine/8bs2) | Room-temperature structure of SARS-CoV-2 Main protease at 104 MPa helium gas pressure in a sapphire capillary | 分子名称: | 3C-like proteinase, DIMETHYL SULFOXIDE | 著者 | Lieske, J, Saouane, S, Guenther, S, Reinke, P.Y.A, Rahmani Mashhour, A, Meents, A. | 登録日 | 2022-11-24 | 公開日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | High-pressure macromolecular crystallography to explore the conformational space of proteins To Be Published
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8QZ4
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![BU of 8qz4 by Molmil](/molmil-images/mine/8qz4) | Crystal structure of human two pore domain potassium ion channel TREK-2 (K2P10.1) in complex with an activatory nanobody (Nb76) | 分子名称: | BARIUM ION, CHOLESTEROL HEMISUCCINATE, Nanobody 76, ... | 著者 | Rodstrom, K.E.J, Pike, A.C.W, Baronina, A, Ang, J, Bushell, S.R, Chalk, R, Mukhopadhyay, S.M.M, Pardon, E, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Burgess-Brown, N.A, Tucker, S.J, Steyaert, J, Carpenter, E.P, Structural Genomics Consortium (SGC) | 登録日 | 2023-10-26 | 公開日 | 2024-05-29 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | Extracellular modulation of TREK-2 activity with nanobodies provides insight into the mechanisms of K2P channel regulation. Nat Commun, 15, 2024
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6Z96
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![BU of 6z96 by Molmil](/molmil-images/mine/6z96) | [4Fe-4S]-dependent thiouracil desulfidase TudS (DUF523Vcz) soaked with 4-thiouracil (12.65 keV, 7.125 keV (Fe-SAD) and 6.5 keV (S-SAD) data) | 分子名称: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, HYDROSULFURIC ACID, ... | 著者 | Pecqueur, L, Zhou, J, Fontecave, M, Golinelli-Pimpaneau, B. | 登録日 | 2020-06-03 | 公開日 | 2020-09-30 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.327 Å) | 主引用文献 | Structural Evidence for a [4Fe-5S] Intermediate in the Non-Redox Desulfuration of Thiouracil. Angew.Chem.Int.Ed.Engl., 60, 2021
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8QZ1
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![BU of 8qz1 by Molmil](/molmil-images/mine/8qz1) | Crystal structure of human two pore domain potassium ion channel TREK-2 (K2P10.1) in complex with a nanobody (Nb58) | 分子名称: | Isoform B of Potassium channel subfamily K member 10, Nanobody 58, POTASSIUM ION | 著者 | Rodstrom, K.E.J, Pike, A.C.W, Baronina, A, Ang, J, Bushell, S.R, Chalk, R, Mukhopadhyay, S.M.M, Pardon, E, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Burgess-Brown, N.A, Tucker, S.J, Steyaert, J, Carpenter, E.P, Structural Genomics Consortium (SGC) | 登録日 | 2023-10-26 | 公開日 | 2024-05-29 | 実験手法 | X-RAY DIFFRACTION (3.588 Å) | 主引用文献 | Extracellular modulation of TREK-2 activity with nanobodies provides insight into the mechanisms of K2P channel regulation. Nat Commun, 15, 2024
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6ZDJ
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![BU of 6zdj by Molmil](/molmil-images/mine/6zdj) | Structure of the native full-length HIV-1 capsid protein in complex with Cyclophilin A from helical assembly (-13,10) | 分子名称: | Gag protein, Peptidyl-prolyl cis-trans isomerase A | 著者 | Ni, T, Gerard, S, Zhao, G, Ning, J, Zhang, P. | 登録日 | 2020-06-14 | 公開日 | 2020-08-19 | 最終更新日 | 2021-02-10 | 実験手法 | ELECTRON MICROSCOPY (5.8 Å) | 主引用文献 | Intrinsic curvature of the HIV-1 CA hexamer underlies capsid topology and interaction with cyclophilin A. Nat.Struct.Mol.Biol., 27, 2020
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5LIW
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![BU of 5liw by Molmil](/molmil-images/mine/5liw) | Crystal structure of human AKR1B10 complexed with NADP+ and the inhibitor MK319 | 分子名称: | 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | 著者 | Cousido-Siah, A, Ruiz, F.X, Mitschler, A, Fanfrlik, J, Kamlar, M, Vesely, J, Hobza, P, Podjarny, A. | 登録日 | 2016-07-15 | 公開日 | 2016-07-27 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | IDD388 Polyhalogenated Derivatives as Probes for an Improved Structure-Based Selectivity of AKR1B10 Inhibitors. Acs Chem.Biol., 11, 2016
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7LZ4
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![BU of 7lz4 by Molmil](/molmil-images/mine/7lz4) | Crystal structure of A211D mutant of Protein Kinase A RIa subunit, a Carney Complex mutation | 分子名称: | ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, cAMP-dependent protein kinase type I-alpha regulatory subunit, N-terminally processed | 著者 | Del Rio, J, Wu, J, Taylor, S.S. | 登録日 | 2021-03-08 | 公開日 | 2021-05-26 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (4.155 Å) | 主引用文献 | Noncanonical protein kinase A activation by oligomerization of regulatory subunits as revealed by inherited Carney complex mutations. Proc.Natl.Acad.Sci.USA, 118, 2021
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6ZE5
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![BU of 6ze5 by Molmil](/molmil-images/mine/6ze5) | FAD-dependent oxidoreductase from Chaetomium thermophilum in complex with fragment 2-(1H-indol-3-yl)-N-[(1-methyl-1H-pyrrol-2-yl)methyl]ethanamine | 分子名称: | 2-(1H-indol-3-yl)-N-[(1-methyl-1H-pyrrol-2-yl)methyl]ethanamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Svecova, L, Skalova, T, Kolenko, P, Koval, T, Oestergaard, L.H, Dohnalek, J. | 登録日 | 2020-06-16 | 公開日 | 2021-05-26 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | 主引用文献 | Crystallographic fragment screening-based study of a novel FAD-dependent oxidoreductase from Chaetomium thermophilum. Acta Crystallogr D Struct Biol, 77, 2021
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6ZE6
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![BU of 6ze6 by Molmil](/molmil-images/mine/6ze6) | FAD-dependent oxidoreductase from Chaetomium thermophilum in complex with fragment 4-nitrocatechol | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-NITROCATECHOL, ... | 著者 | Svecova, L, Skalova, T, Kolenko, P, Koval, T, Oestergaard, L.H, Dohnalek, J. | 登録日 | 2020-06-16 | 公開日 | 2021-05-26 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.26 Å) | 主引用文献 | Crystallographic fragment screening-based study of a novel FAD-dependent oxidoreductase from Chaetomium thermophilum. Acta Crystallogr D Struct Biol, 77, 2021
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6ZE7
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![BU of 6ze7 by Molmil](/molmil-images/mine/6ze7) | Chaetomium thermophilum FAD-dependent oxidoreductase in complex with 4-nitrophenol | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ... | 著者 | Svecova, L, Skalova, T, Kolenko, P, Koval, T, Oestergaard, L.H, Dohnalek, J. | 登録日 | 2020-06-16 | 公開日 | 2021-05-26 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Crystallographic fragment screening-based study of a novel FAD-dependent oxidoreductase from Chaetomium thermophilum. Acta Crystallogr D Struct Biol, 77, 2021
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6ZE3
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![BU of 6ze3 by Molmil](/molmil-images/mine/6ze3) | FAD-dependent oxidoreductase from Chaetomium thermophilum in complex with fragment (4-methoxycarbonylphenyl)methylazanium | 分子名称: | (4-methoxycarbonylphenyl)methylazanium, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Svecova, L, Skalova, T, Kolenko, P, Koval, T, Oestergaard, L.H, Dohnalek, J. | 登録日 | 2020-06-16 | 公開日 | 2021-05-26 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.22 Å) | 主引用文献 | Crystallographic fragment screening-based study of a novel FAD-dependent oxidoreductase from Chaetomium thermophilum. Acta Crystallogr D Struct Biol, 77, 2021
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6ZE4
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![BU of 6ze4 by Molmil](/molmil-images/mine/6ze4) | FAD-dependent oxidoreductase from Chaetomium thermophilum in complex with fragment 4-oxo-N-[(1S)-1-(pyridin-3-yl)ethyl]-4-(thiophen-2-yl)butanamide | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-oxo-N-[(1S)-1-(pyridin-3-yl)ethyl]-4-(thiophen-2-yl)butanamide, ... | 著者 | Svecova, L, Skalova, T, Kolenko, P, Koval, T, Oestergaard, L.H, Dohnalek, J. | 登録日 | 2020-06-16 | 公開日 | 2021-05-26 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Crystallographic fragment screening-based study of a novel FAD-dependent oxidoreductase from Chaetomium thermophilum. Acta Crystallogr D Struct Biol, 77, 2021
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6ZE2
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![BU of 6ze2 by Molmil](/molmil-images/mine/6ze2) | FAD-dependent oxidoreductase from Chaetomium thermophilum | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, ... | 著者 | Svecova, L, Skalova, T, Kolenko, P, Koval, T, Oestergaard, L.H, Dohnalek, J. | 登録日 | 2020-06-16 | 公開日 | 2021-05-26 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.31 Å) | 主引用文献 | Crystallographic fragment screening-based study of a novel FAD-dependent oxidoreductase from Chaetomium thermophilum. Acta Crystallogr D Struct Biol, 77, 2021
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5M1W
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![BU of 5m1w by Molmil](/molmil-images/mine/5m1w) | Structure of a stable G-hairpin | 分子名称: | DNA (5'-D(*GP*TP*GP*TP*GP*GP*GP*TP*GP*TP*G)-3') | 著者 | Gajarsky, M, Zivkovic, M.L, Stadlbauer, P, Pagano, B, Fiala, R, Amato, J, Tomaska, L, Sponer, J, Plavec, J, Trantirek, L. | 登録日 | 2016-10-11 | 公開日 | 2017-03-01 | 最終更新日 | 2024-05-15 | 実験手法 | SOLUTION NMR | 主引用文献 | Structure of a Stable G-Hairpin. J. Am. Chem. Soc., 139, 2017
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6U38
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![BU of 6u38 by Molmil](/molmil-images/mine/6u38) | PCSK9 in complex with a Fab and compound 8 | 分子名称: | 2-fluoro-4-{[(1R)-1-methyl-6-{[(2S)-oxan-2-yl]methoxy}-1-{2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}benzoic acid, Fab Heavy Chain, Fab Light Chain, ... | 著者 | Lu, J, Soisson, S. | 登録日 | 2019-08-21 | 公開日 | 2019-11-06 | 最終更新日 | 2020-01-29 | 実験手法 | X-RAY DIFFRACTION (2.73 Å) | 主引用文献 | From Screening to Targeted Degradation: Strategies for the Discovery and Optimization of Small Molecule Ligands for PCSK9. Cell Chem Biol, 27, 2020
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6U2N
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![BU of 6u2n by Molmil](/molmil-images/mine/6u2n) | PCSK9 in complex with compound 4 | 分子名称: | 4-{[(1R)-6-methoxy-1-methyl-1-{2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}benzoic acid, Proprotein convertase subtilisin/kexin type 9 | 著者 | Lu, J, Soisson, S. | 登録日 | 2019-08-20 | 公開日 | 2019-11-06 | 最終更新日 | 2020-01-29 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | From Screening to Targeted Degradation: Strategies for the Discovery and Optimization of Small Molecule Ligands for PCSK9. Cell Chem Biol, 27, 2020
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5MLB
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![BU of 5mlb by Molmil](/molmil-images/mine/5mlb) | Crystal structure of human RAS in complex with darpin K27 | 分子名称: | DARPin K27, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | 著者 | Debreczeni, J.E, Guillard, S, Kolasinska-Zwierz, P, Breed, J, Zhang, J, Bery, N, Marwood, R, Tart, J, Overman, R, Stocki, P, Mistry, B, Phillips, C, Rabbitts, T, Jackson, R, Minter, R. | 登録日 | 2016-12-06 | 公開日 | 2017-12-20 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (3.22 Å) | 主引用文献 | INhibition of RAS nucleotide exchange by a DARPin: structural characterisation and effects on downstream signalling by active RAS To Be Published
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2YGD
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![BU of 2ygd by Molmil](/molmil-images/mine/2ygd) | Molecular architectures of the 24meric eye lens chaperone alphaB- crystallin elucidated by a triple hybrid approach | 分子名称: | ALPHA-CRYSTALLIN B CHAIN | 著者 | Braun, N, Zacharias, M, Peschek, J, Kastenmueller, A, Zou, J, Hanzlik, M, Haslbeck, M, Rappsilber, J, Buchner, J, Weinkauf, S. | 登録日 | 2011-04-13 | 公開日 | 2011-12-07 | 最終更新日 | 2024-05-08 | 実験手法 | ELECTRON MICROSCOPY (9.4 Å) | 主引用文献 | Multiple Molecular Architectures of the Eye Lens Chaperone Alpha Beta-Crystallin Elucidated by a Triple Hybrid Approach Proc.Natl.Acad.Sci.USA, 108, 2011
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8SX3
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![BU of 8sx3 by Molmil](/molmil-images/mine/8sx3) | 10E8-GT10.2 immunogen in complex with human Fab 10E8 and mouse Fab W6-10 | 分子名称: | 10E8 Fab heavy chain, 10E8 light chain, 10E8-GT10.2 immunogen, ... | 著者 | Huang, J, Ozorowski, G, Ward, A.B. | 登録日 | 2023-05-19 | 公開日 | 2024-05-22 | 最終更新日 | 2024-06-19 | 実験手法 | ELECTRON MICROSCOPY (4 Å) | 主引用文献 | Vaccination induces broadly neutralizing antibody precursors to HIV gp41. Nat.Immunol., 25, 2024
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6U36
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![BU of 6u36 by Molmil](/molmil-images/mine/6u36) | PCSK9 in complex with a Fab and compound 14 | 分子名称: | 2-fluoro-4-{[(1R)-6-(2-{4-[1-(4-methoxyphenyl)-5-methyl-6-oxo-1,6-dihydropyridazin-3-yl]-1H-1,2,3-triazol-1-yl}ethoxy)-1-methyl-1-{2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}benzoic acid, Fab Heavy Chain, Fab Light Chain, ... | 著者 | Lu, J, Soisson, S. | 登録日 | 2019-08-21 | 公開日 | 2019-11-06 | 最終更新日 | 2020-01-29 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | From Screening to Targeted Degradation: Strategies for the Discovery and Optimization of Small Molecule Ligands for PCSK9. Cell Chem Biol, 27, 2020
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7AA2
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![BU of 7aa2 by Molmil](/molmil-images/mine/7aa2) | Chaetomium thermophilum FAD-dependent oxidoreductase in complex with ABTS | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3-ETHYL-2-[(2Z)-2-(3-ETHYL-6-SULFO-1,3-BENZOTHIAZOL-2(3H)-YLIDENE)HYDRAZINO]-6-SULFO-3H-1,3-BENZOTHIAZOL-1-IUM, ... | 著者 | Svecova, L, Skalova, T, Kolenko, P, Koval, T, Oestergaard, L.H, Dohnalek, J. | 登録日 | 2020-09-03 | 公開日 | 2021-05-26 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Crystallographic fragment screening-based study of a novel FAD-dependent oxidoreductase from Chaetomium thermophilum. Acta Crystallogr D Struct Biol, 77, 2021
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6U3X
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![BU of 6u3x by Molmil](/molmil-images/mine/6u3x) | PCSK9 in complex with compound 2 | 分子名称: | 2-[(1R)-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]-N-(1,3-thiazol-2-yl)acetamide, Proprotein convertase subtilisin/kexin type 9 | 著者 | Lu, J, Soisson, S. | 登録日 | 2019-08-22 | 公開日 | 2019-11-06 | 最終更新日 | 2020-01-29 | 実験手法 | X-RAY DIFFRACTION (2.64 Å) | 主引用文献 | From Screening to Targeted Degradation: Strategies for the Discovery and Optimization of Small Molecule Ligands for PCSK9. Cell Chem Biol, 27, 2020
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6U2P
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![BU of 6u2p by Molmil](/molmil-images/mine/6u2p) | PCSK9 in complex with compound 5 | 分子名称: | 1,2-ETHANEDIOL, 2-fluoro-4-{[(1R)-6-methoxy-1-methyl-1-{2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}benzoic acid, Proprotein convertase subtilisin/kexin type 9 | 著者 | Lu, J, Soisson, S. | 登録日 | 2019-08-20 | 公開日 | 2019-11-06 | 最終更新日 | 2020-01-29 | 実験手法 | X-RAY DIFFRACTION (2.04 Å) | 主引用文献 | From Screening to Targeted Degradation: Strategies for the Discovery and Optimization of Small Molecule Ligands for PCSK9. Cell Chem Biol, 27, 2020
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