6R6W
 
 | | Structure of recombinant human butyrylcholinesterase in complex with a fluorescent NBD-based probe | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Cholinesterase, ... | | 著者 | Brazzolotto, X, Nachon, F, Knez, D, Gobec, S. | | 登録日 | 2019-03-28 | | 公開日 | 2020-01-15 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.474 Å) | | 主引用文献 | Development of potent reversible selective inhibitors of butyrylcholinesterase as fluorescent probes.
J Enzyme Inhib Med Chem, 35, 2020
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6W06
 | | Bruton's tyrosine kinase in complex with compound 6 | | 分子名称: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 4-~{tert}-butyl-~{N}-[[4-(7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]methyl]benzamide, DIMETHYL SULFOXIDE, ... | | 著者 | Metrick, C.M, Marcotte, D.J. | | 登録日 | 2020-02-29 | | 公開日 | 2020-12-16 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Discovery of BIIB068: A Selective, Potent, Reversible Bruton's Tyrosine Kinase Inhibitor as an Orally Efficacious Agent for Autoimmune Diseases.
J.Med.Chem., 63, 2020
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6R7R
 | | Crystal structure of the glutamate transporter homologue GltTk in complex with D-aspartate | | 分子名称: | D-ASPARTIC ACID, DECYL-BETA-D-MALTOPYRANOSIDE, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Arkhipova, V, Guskov, A, Slotboom, D.J. | | 登録日 | 2019-03-29 | | 公開日 | 2019-04-17 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Binding and transport of D-aspartate by the glutamate transporter homolog Glt Tk .
Elife, 8, 2019
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5KEW
 | | Vibrio parahaemolyticus VtrA/VtrC complex bound to the bile salt taurodeoxycholate | | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, SULFATE ION, ... | | 著者 | Tomchick, D.R, Orth, K, Rivera-Cancel, G. | | 登録日 | 2016-06-10 | | 公開日 | 2016-07-20 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.103 Å) | | 主引用文献 | Bile salt receptor complex activates a pathogenic type III secretion system.
Elife, 5, 2016
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5NO3
 | | RsgA-GDPNP bound to the 30S ribosomal subunit (RsgA assembly intermediate without uS3) | | 分子名称: | 16S ribosomal RNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ... | | 著者 | Lopez-Alonso, J.P, Kaminishi, T, Kikuchi, T, Hirata, Y, Iturrioz, I, Dhimole, N, Schedlbauer, A, Hase, Y, Goto, S, Kurita, D, Muto, A, Zhou, S, Naoe, C, Mills, D.J, Gil-Carton, D, Takemoto, C, Himeno, H, Fucini, P, Connell, S.R. | | 登録日 | 2017-04-10 | | 公開日 | 2017-05-31 | | 最終更新日 | 2024-04-24 | | 実験手法 | ELECTRON MICROSCOPY (5.16 Å) | | 主引用文献 | RsgA couples the maturation state of the 30S ribosomal decoding center to activation of its GTPase pocket.
Nucleic Acids Res., 45, 2017
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5NM5
 | | Tubulin Darpin room-temperature structure in complex with Colchicine determined by serial millisecond crystallography | | 分子名称: | Designed Ankyrin Repeat Protein (DARPIN) D1, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ... | | 著者 | Weinert, T, Olieric, N, James, D, Gashi, D, Nogly, P, Jaeger, K, Steinmetz, M.O, Standfuss, J. | | 登録日 | 2017-04-05 | | 公開日 | 2017-09-27 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Serial millisecond crystallography for routine room-temperature structure determination at synchrotrons.
Nat Commun, 8, 2017
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8FLI
 | | Cryo-EM structure of a group II intron immediately before branching | | 分子名称: | Group II Intron, MAGNESIUM ION, Maturase reverse transcriptase | | 著者 | Haack, D.B, Rudolfs, B.G, Zhang, C, Lyumkis, D, Toor, N. | | 登録日 | 2022-12-21 | | 公開日 | 2023-12-13 | | 最終更新日 | 2024-02-07 | | 実験手法 | ELECTRON MICROSCOPY (3.8 Å) | | 主引用文献 | Structural basis of branching during RNA splicing.
Nat.Struct.Mol.Biol., 31, 2024
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7ZQS
 | | Cryo-EM Structure of Human Transferrin Receptor 1 bound to DNA Aptamer | | 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, DNA (30-MER), ... | | 著者 | Bansia, H, Wang, T, Gutierrez, D, des Georges, A. | | 登録日 | 2022-05-02 | | 公開日 | 2022-08-17 | | 実験手法 | ELECTRON MICROSCOPY (2.54 Å) | | 主引用文献 | Discovery of a Transferrin Receptor 1-Binding Aptamer and Its Application in Cancer Cell Depletion for Adoptive T-Cell Therapy Manufacturing.
J.Am.Chem.Soc., 144, 2022
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7TVF
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6QBA
 | | Crystal Structure of Retinol-Binding Protein 4 (RBP4) in complex with non-retinoid ligand A1120 and engineered binding scaffold | | 分子名称: | 2-[({4-[2-(trifluoromethyl)phenyl]piperidin-1-yl}carbonyl)amino]benzoic acid, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Mlynek, G, Brey, C.U, Djinovic-Carugo, K, Puehringer, D. | | 登録日 | 2018-12-20 | | 公開日 | 2020-06-03 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | A conformation-specific ON-switch for controlling CAR T cells with an orally available drug.
Proc.Natl.Acad.Sci.USA, 117, 2020
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8F6C
 | | E. coli cytochrome bo3 ubiquinol oxidase dimer | | 分子名称: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, COPPER (II) ION, Cytochrome bo(3) ubiquinol oxidase subunit 1, ... | | 著者 | Guo, Y, Karimullina, E, Borek, D, Savchenko, A. | | 登録日 | 2022-11-16 | | 公開日 | 2022-11-30 | | 最終更新日 | 2024-05-22 | | 実験手法 | ELECTRON MICROSCOPY (3.46 Å) | | 主引用文献 | Monomer and dimer structures of cytochrome bo 3 ubiquinol oxidase from Escherichia coli.
Protein Sci., 32, 2023
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7PJQ
 | | Crystal structure of YTHDC1 with compound T96 | | 分子名称: | DI(HYDROXYETHYL)ETHER, SULFATE ION, YTH domain-containing protein 1, ... | | 著者 | Bedi, R.K, Huang, D, Caflisch, A. | | 登録日 | 2021-08-24 | | 公開日 | 2021-10-20 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 主引用文献 | Structure-based design of ligands of the m6A-RNA reader YTHDC1
Eur J Med Chem Rep, 5, 2022
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6NRP
 | | Putative short-chain dehydrogenase/reductase (SDR) from Acinetobacter baumannii | | 分子名称: | 3-oxoacyl-ACP reductase FabG | | 著者 | Cross, E.M, Smith, K.M, Shaw, K.I, Aragao, D, Forwood, J.K. | | 登録日 | 2019-01-23 | | 公開日 | 2019-02-27 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Insights into Acinetobacter baumannii fatty acid synthesis 3-oxoacyl-ACP reductases.
Sci Rep, 11, 2021
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7PJA
 | | Crystal structure of YTHDC1 with compound PSI_DC1_002 | | 分子名称: | 6-methyl-3H-pyridin-2-one, GLYCEROL, SULFATE ION, ... | | 著者 | Bedi, R.K, Huang, D, Caflisch, A. | | 登録日 | 2021-08-23 | | 公開日 | 2021-10-20 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Structure-based design of ligands of the m6A-RNA reader YTHDC1
Eur J Med Chem Rep, 5, 2022
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7PJ7
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6QYK
 | | Structure of MBP-Mcl-1 in complex with compound 7a | | 分子名称: | (2~{R})-2-[6-ethyl-5-(1~{H}-indol-5-yl)thieno[2,3-d]pyrimidin-4-yl]oxypropanoic acid, Maltose/maltodextrin-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | | 著者 | Dokurno, P, Szlavik, Z, Ondi, L, Csekei, M, Paczal, A, Szabo, Z.B, Radics, G, Murray, J, Davidson, J, Chen, I, Davis, B, Hubbard, R.E, Pedder, C, Surgenor, A.E, Smith, J, Robertson, A, LeToumelin-Braizat, G, Cauquil, N, Zarka, M, Demarles, D, Perron-Sierra, F, Geneste, O, Kotschy, A. | | 登録日 | 2019-03-09 | | 公開日 | 2019-08-07 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structure-Guided Discovery of a Selective Mcl-1 Inhibitor with Cellular Activity.
J.Med.Chem., 62, 2019
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6NTX
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8IMZ
 | | Cryo-EM structure of mouse Piezo1-MDFIC complex (composite map) | | 分子名称: | MyoD family inhibitor domain-containing protein, Piezo-type mechanosensitive ion channel component 1 | | 著者 | Zhou, Z, Ma, X, Lin, Y, Cheng, D, Bavi, N, Li, J.V, Sutton, D, Yao, M, Harvey, N, Corry, B, Zhang, Y, Cox, C.D. | | 登録日 | 2023-03-07 | | 公開日 | 2023-08-09 | | 最終更新日 | 2023-08-30 | | 実験手法 | ELECTRON MICROSCOPY (3.66 Å) | | 主引用文献 | MyoD-family inhibitor proteins act as auxiliary subunits of Piezo channels.
Science, 381, 2023
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7AMG
 | | IL-17A in complex with small molecule modulators | | 分子名称: | (3~{R})-4-[4-[[(2~{S})-2-[[2,2-bis(fluoranyl)-2-phenyl-ethanoyl]amino]-3-(2-chlorophenyl)propanoyl]amino]phenyl]-3-[[(2~{S})-3-methyl-2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethanoylamino]butanoyl]amino]butanoic acid, Interleukin-17A | | 著者 | Hakansson, M, Kimbung, R, Logan, D, Walse, U.B, de Groot, M.J, Andrews, M.D, Dack, K.N, Lambert, M. | | 登録日 | 2020-10-08 | | 公開日 | 2022-04-20 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (3.18 Å) | | 主引用文献 | Discovery of an Oral, Rule of 5 Compliant, Interleukin 17A Protein-Protein Interaction Modulator for the Potential Treatment of Psoriasis and Other Inflammatory Diseases.
J.Med.Chem., 65, 2022
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6QYN
 | | Structure of MBP-Mcl-1 in complex with compound 10d | | 分子名称: | (2~{R})-2-[5-(3-chloranyl-2-methyl-4-oxidanyl-phenyl)-6-ethyl-thieno[2,3-d]pyrimidin-4-yl]oxy-3-phenyl-propanoic acid, Maltose/maltodextrin-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | | 著者 | Dokurno, P, Szlavik, Z, Ondi, L, Csekei, M, Paczal, A, Szabo, Z.B, Radics, G, Murray, J, Davidson, J, Chen, I, Davis, B, Hubbard, R.E, Pedder, C, Surgenor, A.E, Smith, J, Robertson, A, LeToumelin-Braizat, G, Cauquil, N, Zarka, M, Demarles, D, Perron-Sierra, F, Geneste, O, Kotschy, A. | | 登録日 | 2019-03-09 | | 公開日 | 2019-08-07 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Structure-Guided Discovery of a Selective Mcl-1 Inhibitor with Cellular Activity.
J.Med.Chem., 62, 2019
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8CTA
 | | Minimal 2:2 Ternary Complex between BI-224436 bound HIV-1 Integrase Catalytic Core Domain Dimer and Carboxy Terminal Domains | | 分子名称: | (2S)-tert-butoxy[4-(2,3-dihydropyrano[4,3,2-de]quinolin-7-yl)-2-methylquinolin-3-yl]acetic acid, 1,2-ETHANEDIOL, Integrase | | 著者 | Gupta, K, Van Duyne, G.D, Eilers, G, Bushman, F.D. | | 登録日 | 2022-05-13 | | 公開日 | 2023-02-22 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.93 Å) | | 主引用文献 | Structure of a HIV-1 IN-Allosteric inhibitor complex at 2.93 angstrom resolution: Routes to inhibitor optimization.
Plos Pathog., 19, 2023
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6PZO
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7GFU
 | | Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with MAT-POS-bbbbc21a-3 (Mpro-x11831) | | 分子名称: | 2-(5-chloro-1-benzofuran-7-yl)-N-(isoquinolin-4-yl)acetamide, 3C-like proteinase, DIMETHYL SULFOXIDE | | 著者 | Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F. | | 登録日 | 2023-08-11 | | 公開日 | 2023-11-08 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
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7GGL
 | | Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with ALP-POS-ce760d3f-8 (Mpro-x12674) | | 分子名称: | (3S)-3-(4-chlorophenyl)-1-(isoquinolin-4-yl)piperidin-2-one, 3C-like proteinase, DIMETHYL SULFOXIDE | | 著者 | Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F. | | 登録日 | 2023-08-11 | | 公開日 | 2023-11-08 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (2.218 Å) | | 主引用文献 | Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
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6PZU
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