7BNT
 
 | | Complex of rice blast (Magnaporthe oryzae) effector protein AVR-PikD with a predicted ancestral HMA domain of Pik-1 from Oryza spp. | | 分子名称: | 1,2-ETHANEDIOL, AVR-Pik protein, Predicted ancestral HMA domain of Pik-1 from Oryza spp. | | 著者 | Bialas, A, Langner, T, Harant, A, Contreras, M.P, Stevenson, C.E.M, Lawson, D.M, Sklenar, J, Kellner, R, Moscou, M.J, Terauchi, R, Banfield, M.J, Kamoun, S. | | 登録日 | 2021-01-22 | | 公開日 | 2021-02-17 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.32 Å) | | 主引用文献 | Two NLR immune receptors acquired high-affinity binding to a fungal effector through convergent evolution of their integrated domain.
Elife, 10, 2021
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8TU5
 | | Bruton's tyrosine kinase in complex with covalent inhibitor compound 27 | | 分子名称: | 1-[(1S,5S,6S)-6-methyl-6-{[(6M,8R)-6-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxy}-2-azabicyclo[3.2.0]heptan-2-yl]propan-1-one, Tyrosine-protein kinase BTK | | 著者 | Metrick, C.M. | | 登録日 | 2023-08-15 | | 公開日 | 2024-06-26 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Discovery and Preclinical Characterization of BIIB129, a Covalent, Selective, and Brain-Penetrant BTK Inhibitor for the Treatment of Multiple Sclerosis.
J.Med.Chem., 67, 2024
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3M8J
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8TU3
 | | Bruton's tyrosine kinase in complex with covalent inhibitor compound 10 | | 分子名称: | 1-[(4R)-4-{[(6P,8S)-6-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxy}azepan-1-yl]propan-1-one, Tyrosine-protein kinase BTK | | 著者 | Metrick, C.M. | | 登録日 | 2023-08-15 | | 公開日 | 2024-06-26 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Discovery and Preclinical Characterization of BIIB129, a Covalent, Selective, and Brain-Penetrant BTK Inhibitor for the Treatment of Multiple Sclerosis.
J.Med.Chem., 67, 2024
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8TU4
 | | Bruton's tyrosine kinase in complex with covalent inhibitor compound 25 | | 分子名称: | N-methyl-N-[(1S,3r)-3-methyl-3-{[(6M,8S)-6-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxy}cyclobutyl]propanamide, Tyrosine-protein kinase BTK | | 著者 | Metrick, C.M. | | 登録日 | 2023-08-15 | | 公開日 | 2024-06-26 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Discovery and Preclinical Characterization of BIIB129, a Covalent, Selective, and Brain-Penetrant BTK Inhibitor for the Treatment of Multiple Sclerosis.
J.Med.Chem., 67, 2024
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6ZMT
 | | SARS-CoV-2 Nsp1 bound to a pre-40S-like ribosome complex | | 分子名称: | 18S ribosomal RNA, 40S ribosomal protein S10, 40S ribosomal protein S11, ... | | 著者 | Thoms, M, Buschauer, R, Ameismeier, M, Denk, T, Kratzat, H, Mackens-Kiani, T, Cheng, J, Berninghausen, O, Becker, T, Beckmann, R. | | 登録日 | 2020-07-03 | | 公開日 | 2020-08-19 | | 最終更新日 | 2024-05-01 | | 実験手法 | ELECTRON MICROSCOPY (3 Å) | | 主引用文献 | Structural basis for translational shutdown and immune evasion by the Nsp1 protein of SARS-CoV-2.
Science, 369, 2020
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6ZP0
 | | Structure of SARS-CoV-2 Spike Protein Trimer (single Arg S1/S2 cleavage site) in Closed State | | 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, Spike glycoprotein | | 著者 | Xiong, X, Qu, K, Scheres, S.H.W, Briggs, J.A.G. | | 登録日 | 2020-07-08 | | 公開日 | 2020-07-22 | | 最終更新日 | 2021-06-02 | | 実験手法 | ELECTRON MICROSCOPY (3 Å) | | 主引用文献 | A thermostable, closed SARS-CoV-2 spike protein trimer.
Nat.Struct.Mol.Biol., 27, 2020
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6HQ7
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6HR2
 | | Crystal structure of PROTAC 2 in complex with the bromodomain of human SMARCA4 and pVHL:ElonginC:ElonginB | | 分子名称: | (2~{S},4~{R})-~{N}-[[2-[2-[4-[[4-[3-azanyl-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]methyl]phenyl]ethoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2~{S})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide, 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ... | | 著者 | Roy, M, Bader, G, Diers, E, Trainor, N, Farnaby, W, Ciulli, A. | | 登録日 | 2018-09-26 | | 公開日 | 2019-06-12 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | | 主引用文献 | BAF complex vulnerabilities in cancer demonstrated via structure-based PROTAC design.
Nat.Chem.Biol., 15, 2019
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8CDK
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6PXP
 | | Human Casein Kinase 1 delta Site 2 mutant (K171E) | | 分子名称: | Casein kinase I isoform delta, SULFATE ION | | 著者 | Yee, L, Philpott, J.M, Tripathi, S.M, Partch, C.L. | | 登録日 | 2019-07-26 | | 公開日 | 2020-02-12 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Casein kinase 1 dynamics underlie substrate selectivity and the PER2 circadian phosphoswitch.
Elife, 9, 2020
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1XLR
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8CDJ
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7U3G
 | | GID4 in complex with compound 67 | | 分子名称: | (1R)-1-phenyl-1,2,3,4-tetrahydroisoquinolin-5-amine, Glucose-induced degradation protein 4 homolog | | 著者 | Chana, C.K, Sicheri, F. | | 登録日 | 2022-02-27 | | 公開日 | 2022-10-05 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.244 Å) | | 主引用文献 | Discovery and Structural Characterization of Small Molecule Binders of the Human CTLH E3 Ligase Subunit GID4.
J.Med.Chem., 65, 2022
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7U3K
 | | GID4 in complex with compound 89 | | 分子名称: | GLYCEROL, Glucose-induced degradation protein 4 homolog, N-butylglycyl-4-tert-butyl-D-phenylalanyl-3-methoxy-N-methyl-L-phenylalaninamide | | 著者 | Chana, C.K, Sicheri, F. | | 登録日 | 2022-02-27 | | 公開日 | 2022-10-05 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.198 Å) | | 主引用文献 | Discovery and Structural Characterization of Small Molecule Binders of the Human CTLH E3 Ligase Subunit GID4.
J.Med.Chem., 65, 2022
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6PZ4
 | | co-crystal structure of BACE with inhibitor AM-6494 | | 分子名称: | Beta-secretase 1, GLYCEROL, IODIDE ION, ... | | 著者 | Huang, X. | | 登録日 | 2019-07-31 | | 公開日 | 2019-10-23 | | 最終更新日 | 2020-03-25 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Discovery of AM-6494: A Potent and Orally Efficacious beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) Inhibitor with in Vivo Selectivity over BACE2.
J.Med.Chem., 63, 2020
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7A5C
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6HW1
 | | ROOM TEMPERATURE STRUCTURE OF LIPASE FROM T. LANUGINOSA AT 2.5 A RESOLUTION IN CHIPX MICROFLUIDIC DEVICE | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Lipase, MAGNESIUM ION, ... | | 著者 | Gavira, J.A, Fernadez-Penas, R, Martinez-Rodriguez, S, Verdugo-Escamilla, C. | | 登録日 | 2018-10-11 | | 公開日 | 2018-10-24 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | A simple and versatile microfluidic device for efficient biomacromolecule crystallization and structural analysis by serial crystallography.
Iucrj, 6, 2019
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6ZOX
 | | Structure of Disulphide-stabilized SARS-CoV-2 Spike Protein Trimer (x2 disulphide-bond mutant, G413C, V987C, single Arg S1/S2 cleavage site) | | 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, Spike glycoprotein | | 著者 | Xiong, X, Qu, K, Scheres, S.H.W, Briggs, J.A.G. | | 登録日 | 2020-07-08 | | 公開日 | 2020-07-22 | | 最終更新日 | 2021-06-02 | | 実験手法 | ELECTRON MICROSCOPY (3 Å) | | 主引用文献 | A thermostable, closed SARS-CoV-2 spike protein trimer.
Nat.Struct.Mol.Biol., 27, 2020
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8TLY
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6ZP2
 | | Structure of SARS-CoV-2 Spike Protein Trimer (K986P, V987P, single Arg S1/S2 cleavage site) in Locked State | | 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, BILIVERDINE IX ALPHA, ... | | 著者 | Xiong, X, Qu, K, Scheres, S.H.W, Briggs, J.A.G. | | 登録日 | 2020-07-08 | | 公開日 | 2020-07-22 | | 最終更新日 | 2022-03-02 | | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | | 主引用文献 | A thermostable, closed SARS-CoV-2 spike protein trimer.
Nat.Struct.Mol.Biol., 27, 2020
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8TUK
 | | Alvinella ASCC1 KH and Phosphodiesterase/Ligase Domain | | 分子名称: | 1,2-ETHANEDIOL, Activating signal cointegrator 1 complex subunit 1, IMIDAZOLE | | 著者 | Tsutakawa, S.E, Tainer, J.A, Arvai, A.S, Chinnam, N.B. | | 登録日 | 2023-08-16 | | 公開日 | 2024-07-10 | | 実験手法 | X-RAY DIFFRACTION (1.15 Å) | | 主引用文献 | ASCC1 structures and bioinformatics reveal a novel helix-clasp-helix RNA-binding motif linked to a two-histidine phosphodiesterase.
J.Biol.Chem., 300, 2024
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6HC6
 | | The structure of BSAP, a zinc aminopeptidase from Bacillus subtilis | | 分子名称: | ACETATE ION, Aminopeptidase YwaD, GLYCEROL, ... | | 著者 | Rogoulenko, E, Lansky, S, Faygenboim, R, Cohen, T, Alhadeff, R, Shoham, Y, Shoham, G. | | 登録日 | 2018-08-14 | | 公開日 | 2019-08-28 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | | 主引用文献 | To be published
To Be Published
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8DMO
 | | Structure of open, inward-facing MsbA from E. coli | | 分子名称: | ATP-binding transport protein MsbA | | 著者 | Liu, C, Lyu, J, Laganowsky, A.D, Zhao, M. | | 登録日 | 2022-07-08 | | 公開日 | 2022-12-14 | | 最終更新日 | 2024-06-12 | | 実験手法 | ELECTRON MICROSCOPY (3.9 Å) | | 主引用文献 | Structural basis for lipid and copper regulation of the ABC transporter MsbA.
Nat Commun, 13, 2022
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8DMM
 | | Structure of the vanadate-trapped MsbA bound to KDL | | 分子名称: | (2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-[(2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-carboxy-2-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-5-[[(3~{R})-3-dodecanoyloxytetradecanoyl]amino]-6-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-3-oxidanyl-5-[[(3~{R})-3-oxidanyltetradecanoyl]amino]-4-[(3~{R})-3-oxidanyltetradecanoyl]oxy-6-phosphonooxy-oxan-2-yl]methoxy]-3-phosphonooxy-4-[(3~{R})-3-tetradecanoyloxytetradecanoyl]oxy-oxan-2-yl]methoxy]-5-oxidanyl-oxan-4-yl]oxy-4,5-bis(oxidanyl)oxane-2-carboxylic acid, ADP ORTHOVANADATE, ATP-binding transport protein MsbA | | 著者 | Liu, C, Lyu, J, Laganowsky, A.D, Zhao, M. | | 登録日 | 2022-07-08 | | 公開日 | 2022-12-14 | | 最終更新日 | 2024-06-12 | | 実験手法 | ELECTRON MICROSCOPY (3.47 Å) | | 主引用文献 | Structural basis for lipid and copper regulation of the ABC transporter MsbA.
Nat Commun, 13, 2022
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