8VOV
| Structure of VCP in complex with an ATPase activator and ADP (D2 domains only, hexameric form) | 分子名称: | (3R)-N-[2-(ethylsulfanyl)phenyl]-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)butanamide, ADENOSINE-5'-DIPHOSPHATE, Transitional endoplasmic reticulum ATPase | 著者 | Jones, N.H, Urnivicius, L, Kapoor, T.M. | 登録日 | 2024-01-16 | 公開日 | 2024-06-19 | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | 主引用文献 | Allosteric activation of VCP, an AAA unfoldase, by small molecule mimicry. Proc.Natl.Acad.Sci.USA, 121, 2024
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8VKU
| Structure of VCP in complex with an ATPase activator (D2 domains only, hexameric form) | 分子名称: | (3R)-N-[2-(ethylsulfanyl)phenyl]-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)butanamide, Transitional endoplasmic reticulum ATPase | 著者 | Jones, N.H, Urnivicius, L, Kapoor, T.M. | 登録日 | 2024-01-09 | 公開日 | 2024-06-19 | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | 主引用文献 | Allosteric activation of VCP, an AAA unfoldase, by small molecule mimicry. Proc.Natl.Acad.Sci.USA, 121, 2024
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6TIT
| VSV G_440 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, CALCIUM ION, ... | 著者 | Albertini, A.A, Belot, L, Abouhamdan, A, Gaudin, Y. | 登録日 | 2019-11-22 | 公開日 | 2020-09-02 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | 主引用文献 | Identification of a pH-Sensitive Switch in VSV-G and a Crystal Structure of the G Pre-fusion State Highlight the VSV-G Structural Transition Pathway. Cell Rep, 32, 2020
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6T3W
| Coxsackie B3 2C protein in complex with S-Fluoxetine | 分子名称: | (3S)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine, 2C protein, SODIUM ION, ... | 著者 | El Kazzi, P, Papageorgiou, N, Ferron, F.P, Bauer, L, van Kuppeveld, F, Coutard, B. | 登録日 | 2019-10-11 | 公開日 | 2020-11-18 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | 主引用文献 | Fluoxetine targets an allosteric site in the enterovirus 2C AAA+ ATPase and stabilizes a ring-shaped hexameric complex. Sci Adv, 8, 2022
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6TJN
| Human transthyretin (TTR) complexed with (E)-3-(((4-hydroxybenzylidene)amino)oxy)propanoic acid | 分子名称: | 3-[(~{E})-(4-hydroxyphenyl)methylideneamino]oxypropanoic acid, Transthyretin | 著者 | Ciccone, L, Shepard, W, Nencetti, S, Orlandini, E, Rossello, A. | 登録日 | 2019-11-26 | 公開日 | 2020-12-16 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.702 Å) | 主引用文献 | Monoaryl derivatives as transthyretin fibril formation inhibitors: Design, synthesis, biological evaluation and structural analysis. Bioorg.Med.Chem., 28, 2020
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6T9W
| Crystal structure of formate dehydrogenase FDH2 D222A/Q223R enzyme from Granulicella mallensis MP5ACTX8 in complex with NADP and azide. | 分子名称: | AZIDE ION, Formate dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | 著者 | Robescu, M.S, Rubini, R, Filippini, F, Bergantino, B, Cendron, L. | 登録日 | 2019-10-29 | 公開日 | 2020-08-05 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | From the Amelioration of a NADP+-dependent Formate Dehydrogenase to the Discovery of a New Enzyme: Round Trip from Theory to Practice Chemcatchem, 2020
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6TA5
| OprM-MexA complex from the MexAB-OprM Pseudomonas aeruginosa whole assembly reconstituted in nanodiscs | 分子名称: | Efflux pump membrane transporter, MexA family multidrug efflux RND transporter periplasmic adaptor subunit, Outer membrane protein OprM | 著者 | Glavier, M, Schoehn, G, Taveau, J.C, Phan, G, Daury, L, Lambert, O, Broutin, I. | 登録日 | 2019-10-29 | 公開日 | 2020-09-16 | 最終更新日 | 2024-05-15 | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | 主引用文献 | Antibiotic export by MexB multidrug efflux transporter is allosterically controlled by a MexA-OprM chaperone-like complex. Nat Commun, 11, 2020
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6TB6
| Crystal structure of formate dehydrogenase FDH2 D222S/Q223R enzyme from Granulicella mallensis MP5ACTX8 in complex with NADP and azide. | 分子名称: | AZIDE ION, COBALT (II) ION, Formate dehydrogenase, ... | 著者 | Robescu, M.S, Rubini, R, Filippini, F, Bergantino, B, Cendron, L. | 登録日 | 2019-11-01 | 公開日 | 2020-08-05 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | 主引用文献 | From the Amelioration of a NADP+-dependent Formate Dehydrogenase to the Discovery of a New Enzyme: Round Trip from Theory to Practice Chemcatchem, 2020
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6TJT
| Neuropilin2-b1 domain in a complex with the C-terminal VEGFC peptide | 分子名称: | 1,2-ETHANEDIOL, Neuropilin-2, SULFATE ION, ... | 著者 | Eldrid, C, Yu, L, Yelland, T, Fotinou, C, Djordjevic, S. | 登録日 | 2019-11-26 | 公開日 | 2020-12-16 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.31 Å) | 主引用文献 | NRP2-b1 domain in a complex with the C-terminal VEGFC peptide To Be Published
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6THV
| X-ray structure of the Danio rerio histone deacetylase 6 (HDAC6; catalytic domain 2) in complex with Tubastatin A | 分子名称: | 1,2-ETHANEDIOL, 4-[(2-methyl-3,4-dihydro-1~{H}-pyrido[4,3-b]indol-5-yl)methyl]-~{N}-oxidanyl-benzamide, DI(HYDROXYETHYL)ETHER, ... | 著者 | Barinka, C, Motlova, L, Svoboda, M. | 登録日 | 2019-11-21 | 公開日 | 2020-07-15 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | 主引用文献 | Structural and in Vivo Characterization of Tubastatin A, a Widely Used Histone Deacetylase 6 Inhibitor. Acs Med.Chem.Lett., 11, 2020
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6TKM
| Tankyrase 2 in complex with an inhibitor (OM-1800) | 分子名称: | Tankyrase-2, ZINC ION, ~{N}-[3-[5-(5-ethoxypyridin-2-yl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]-1,5-naphthyridine-4-carboxamide | 著者 | Sowa, S.T, Lehtio, L. | 登録日 | 2019-11-28 | 公開日 | 2020-07-08 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Preclinical Lead Optimization of a 1,2,4-Triazole Based Tankyrase Inhibitor. J.Med.Chem., 63, 2020
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6TKN
| Tankyrase 2 in complex with an inhibitor (OM-1000) | 分子名称: | Tankyrase-2, ZINC ION, ~{N}-[3-[4-(2-chlorophenyl)-5-pyrimidin-4-yl-1,2,4-triazol-3-yl]-1-bicyclo[1.1.1]pentanyl]pyridine-2-carboxamide | 著者 | Sowa, S.T, Lehtio, L. | 登録日 | 2019-11-28 | 公開日 | 2020-07-08 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Preclinical Lead Optimization of a 1,2,4-Triazole Based Tankyrase Inhibitor. J.Med.Chem., 63, 2020
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6TKK
| Neuropilin 1-b1 domain in a complex with the C-terminal VEGFB186 peptide | 分子名称: | 1,2-ETHANEDIOL, ACE-ARG-PRO-GLN-PRO-ARG, Neuropilin-1 | 著者 | Eldrid, C, Yu, L, Yelland, T, Fotinou, C, Djordjevic, S. | 登録日 | 2019-11-28 | 公開日 | 2020-12-16 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.06 Å) | 主引用文献 | Neuropilin 1-b1 domain in a complex with the C-terminal VEGFB186 peptide To Be Published
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6TKP
| Tankyrase 2 in complex with an inhibitor (OM-1900) | 分子名称: | Tankyrase-2, ZINC ION, ~{N}-[3-[4-(2-chlorophenyl)-5-(5-ethoxypyridin-2-yl)-1,2,4-triazol-3-yl]cyclobutyl]-1,5-naphthyridine-4-carboxamide | 著者 | Sowa, S.T, Lehtio, L. | 登録日 | 2019-11-28 | 公開日 | 2020-07-08 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Preclinical Lead Optimization of a 1,2,4-Triazole Based Tankyrase Inhibitor. J.Med.Chem., 63, 2020
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6TN6
| X-ray structure of the endo-beta-1,4-mannanase from Thermotoga petrophila | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | 著者 | da Silva, V.M, Squina, F.M, Sperenca, M, Martin, L, Muniz, J.R.C, Garcia, W, Nicolet, Y. | 登録日 | 2019-12-06 | 公開日 | 2020-04-29 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | High-resolution structure of a modular hyperthermostable endo-beta-1,4-mannanase from Thermotoga petrophila: The ancillary immunoglobulin-like module is a thermostabilizing domain. Biochim Biophys Acta Proteins Proteom, 1868, 2020
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6TLM
| ROR(gamma)t ligand binding domain in complex with allosteric ligand compound 13 (Glenmark) | 分子名称: | 4-[1-[2,6-bis(chloranyl)phenyl]carbonyl-5-methyl-thieno[3,2-c]pyrazol-3-yl]benzoic acid, Nuclear receptor ROR-gamma | 著者 | de Vries, R.M.J.M, Meijer, F.A, Brunsveld, L. | 登録日 | 2019-12-03 | 公開日 | 2020-03-04 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.321 Å) | 主引用文献 | Elucidation of an Allosteric Mode of Action for a Thienopyrazole ROR gamma t Inverse Agonist. Chemmedchem, 15, 2020
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6TT7
| Ovine ATP synthase 1a state | 分子名称: | 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ADENOSINE-5'-DIPHOSPHATE, ATP synthase F(0) complex subunit C1, ... | 著者 | Pinke, G, Zhou, L, Sazanov, L.A. | 登録日 | 2019-12-23 | 公開日 | 2020-09-23 | 最終更新日 | 2024-05-22 | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | 主引用文献 | Cryo-EM structure of the entire mammalian F-type ATP synthase. Nat.Struct.Mol.Biol., 27, 2020
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6TRI
| CI-MOR repressor-antirepressor complex of the temperate bacteriophage TP901-1 from Lactococcus lactis | 分子名称: | CI, MOR, SULFATE ION | 著者 | Rasmussen, K.K, Blackledge, M, Herrmann, T, Jensen, M.R, Lo Leggio, L. | 登録日 | 2019-12-18 | 公開日 | 2020-08-19 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.277 Å) | 主引用文献 | Revealing the mechanism of repressor inactivation during switching of a temperate bacteriophage. Proc.Natl.Acad.Sci.USA, 117, 2020
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6TKR
| Tankyrase 2 in complex with an inhibitor (OM-1704) | 分子名称: | Tankyrase-2, ZINC ION, ~{N}-[3-[5-(5-ethoxypyridin-2-yl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]-1,5-naphthyridine-2-carboxamide | 著者 | Sowa, S.T, Lehtio, L. | 登録日 | 2019-11-28 | 公開日 | 2020-07-08 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | 主引用文献 | Preclinical Lead Optimization of a 1,2,4-Triazole Based Tankyrase Inhibitor. J.Med.Chem., 63, 2020
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6TP8
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6TPK
| Crystal structure of the human oxytocin receptor | 分子名称: | (3~{R},6~{R})-6-[(2~{S})-butan-2-yl]-3-(2,3-dihydro-1~{H}-inden-2-yl)-1-[(1~{R})-1-(2-methyl-1,3-oxazol-4-yl)-2-morpholin-4-yl-2-oxidanylidene-ethyl]piperazine-2,5-dione, CHOLESTEROL, DI(HYDROXYETHYL)ETHER, ... | 著者 | Waltenspuehl, Y, Schoeppe, J, Ehrenmann, J, Kummer, L, Plueckthun, A. | 登録日 | 2019-12-13 | 公開日 | 2020-08-05 | 最終更新日 | 2020-09-02 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | Crystal structure of the human oxytocin receptor. Sci Adv, 6, 2020
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6TRO
| Crystal structure of the T-cell receptor GVY01 bound to HLA A2*01-GVYDGREHTV | 分子名称: | Beta-2-microglobulin, MAGE-A4 peptide (amino acids 230-239), MHC class I antigen, ... | 著者 | Coles, C.H, McMurran, C, Lloyd, A, Hibbert, L, Lupardus, P.J, Cole, D.K, Harper, S. | 登録日 | 2019-12-19 | 公開日 | 2020-06-24 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | T cell receptor interactions with human leukocyte antigen govern indirect peptide selectivity for the cancer testis antigen MAGE-A4. J.Biol.Chem., 295, 2020
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6TPQ
| RNase M5 bound to 50S ribosome with precursor 5S rRNA | 分子名称: | 50S ribosomal protein L10, 50S ribosomal protein L13, 50S ribosomal protein L14, ... | 著者 | Oerum, S, Dendooven, T, Gilet, L, Catala, M, Degut, C, Trinquier, A, Barraud, P, Luisi, B, Condon, C, Tisne, C. | 登録日 | 2019-12-13 | 公開日 | 2020-09-30 | 最終更新日 | 2024-05-22 | 実験手法 | ELECTRON MICROSCOPY (3.07 Å) | 主引用文献 | Structures of B. subtilis Maturation RNases Captured on 50S Ribosome with Pre-rRNAs. Mol.Cell, 80, 2020
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6TSG
| Crystal structure of Peroxisome proliferator-activated receptor gamma (PPARG) in complex with TETRAC | 分子名称: | 3,3',5,5'-TETRAIODOTHYROACETIC ACID, Peroxisome proliferator-activated receptor gamma | 著者 | Chaikuad, A, Gellrich, L, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Merk, D, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2019-12-20 | 公開日 | 2020-07-22 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.98 Å) | 主引用文献 | l-Thyroxin and the Nonclassical Thyroid Hormone TETRAC Are Potent Activators of PPAR gamma. J.Med.Chem., 63, 2020
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6TRN
| Crystal structure of HLA A2*01-AVYDGREHTV | 分子名称: | 1,2-ETHANEDIOL, Beta-2-microglobulin, MAGE-A4 peptide (amino acids 230-239) variant, ... | 著者 | Coles, C.H, McMurran, C, Lloyd, A, Hibbert, L, Lupardus, P.J, Cole, D.K, Harper, S. | 登録日 | 2019-12-19 | 公開日 | 2020-06-24 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | T cell receptor interactions with human leukocyte antigen govern indirect peptide selectivity for the cancer testis antigen MAGE-A4. J.Biol.Chem., 295, 2020
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