7LDL
| Improved Feline Drugs as SARS-CoV-2 Mpro Inhibitors: Structure-Activity Studies & Micellar Solubilization for Enhanced Bioavailability | 分子名称: | 3C-like proteinase, N-[(2S)-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide | 著者 | Khan, M.B, Lu, J, Arutyunova, E, Young, H.S, Lemieux, M.J. | 登録日 | 2021-01-13 | 公開日 | 2021-07-07 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Improved SARS-CoV-2 M pro inhibitors based on feline antiviral drug GC376: Structural enhancements, increased solubility, and micellar studies. Eur.J.Med.Chem., 222, 2021
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5VX6
| Structure of Bacillus subtilis Inhibitor of motility (MotI/DgrA) | 分子名称: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), Uncharacterized protein YpfA | 著者 | Subramanian, S, Dann III, C. | 登録日 | 2017-05-23 | 公開日 | 2017-11-22 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (3.197 Å) | 主引用文献 | MotI (DgrA) acts as a molecular clutch on the flagellar stator protein MotA inBacillus subtilis. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5W1X
| Crystal Structure of Humanpapillomavirus18 (HPV18) Capsid L1 Pentamers Bound to Heparin Oligosaccharides | 分子名称: | 2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-alpha-D-glucopyranose, 2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-alpha-D-glucopyranose, 2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-alpha-D-glucopyranose, ... | 著者 | Chen, X.S, Dasgupta, J. | 登録日 | 2017-06-05 | 公開日 | 2018-12-12 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (3.374 Å) | 主引用文献 | Structural basis of oligosaccharide receptor recognition by human papillomavirus. J. Biol. Chem., 286, 2011
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5UOQ
| CRYSTAL STRUCTURE OF THE PROTOTYPE FOAMY VIRUS INTASOME WITH A 2- PYRIDINONE AMINAL INHIBITOR (COMPOUND 31) | 分子名称: | (3R)-8-[(3-chloro-4-fluorophenyl)methyl]-6-hydroxy-1,5,7-trioxo-1,2',3',5,7,8,9,10-octahydro-2H-spiro[imidazo[5,1-a][2,6]naphthyridine-3,1'-indene]-7'-carbonitrile, GLYCEROL, INTEGRASE, ... | 著者 | Klein, D.J. | 登録日 | 2017-02-01 | 公開日 | 2017-03-29 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.61 Å) | 主引用文献 | Discovery and optimization of 2-pyridinone aminal integrase strand transfer inhibitors for the treatment of HIV. Bioorg. Med. Chem. Lett., 27, 2017
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7LRN
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7MJB
| Crystal Structure of Nanoluc Luciferase Mutant R164Q | 分子名称: | CHLORIDE ION, DECANOIC ACID, DI(HYDROXYETHYL)ETHER, ... | 著者 | Shabalin, I.G, Reza, M.S, Ai, H, Minor, W. | 登録日 | 2021-04-19 | 公開日 | 2021-05-05 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Crystal Structure of Nanoluc Luciferase Mutant R164Q To Be Published
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7X8U
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5T94
| Crystal structure of Kap60 bound to yeast RCC1 (Prp20) | 分子名称: | Guanine nucleotide exchange factor SRM1, Importin subunit alpha | 著者 | Sankhala, R.S, Lokareddy, R.K, Pumroy, R.A, Cingolani, G. | 登録日 | 2016-09-09 | 公開日 | 2017-09-13 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.631 Å) | 主引用文献 | Three-dimensional context rather than NLS amino acid sequence determines importin alpha subtype specificity for RCC1. Nat Commun, 8, 2017
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5TAD
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5TBP
| Crystal Structure of RXR-alpha ligand binding domain complexed with synthetic modulator K8003 | 分子名称: | ACETATE ION, DIMETHYL SULFOXIDE, GLYCEROL, ... | 著者 | Aleshin, A.E, Liddington, R.C, Su, Y, Zhang, X. | 登録日 | 2016-09-12 | 公開日 | 2017-08-09 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Modulation of nongenomic activation of PI3K signalling by tetramerization of N-terminally-cleaved RXR alpha. Nat Commun, 8, 2017
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5TFW
| Crystal structure of 10E8 Fab light chain mutant2 against the MPER region of the HIV-1 Env, in complex with T117v2 epitope scaffold | 分子名称: | 1,2-ETHANEDIOL, 10E8 EPITOPE SCAFFOLD T117V2, Antibody 10E8 FAB HEAVY CHAIN, ... | 著者 | Irimia, A, Wilson, I.A. | 登録日 | 2016-09-26 | 公開日 | 2017-03-08 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.168 Å) | 主引用文献 | Lipid interactions and angle of approach to the HIV-1 viral membrane of broadly neutralizing antibody 10E8: Insights for vaccine and therapeutic design. PLoS Pathog., 13, 2017
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7JPM
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7XGT
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7XGI
| COMT SAH Mg opicapone complex | 分子名称: | Catechol O-methyltransferase, MAGNESIUM ION, Opicapone, ... | 著者 | Takebe, K, Kuwada-Kusunose, T, Suzuki, M, Iijima, H. | 登録日 | 2022-04-04 | 公開日 | 2023-04-12 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structural and Computational Analyses of the Unique Interactions of Opicapone in the Binding Pocket of Catechol O -Methyltransferase: A Crystallographic Study and Fragment Molecular Orbital Analyses. J.Chem.Inf.Model., 63, 2023
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7WSI
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5W1W
| Structure of the HLA-E-VMAPRTLVL/GF4 TCR complex | 分子名称: | Beta-2-microglobulin, GF4 T cell receptor alpha chain, GF4 T cell receptor beta chain, ... | 著者 | Gras, S, Walpole, N, Farenc, C, Rossjohn, J. | 登録日 | 2017-06-05 | 公開日 | 2017-10-04 | 最終更新日 | 2018-01-03 | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | 主引用文献 | A conserved energetic footprint underpins recognition of human leukocyte antigen-E by two distinct alpha beta T cell receptors. J. Biol. Chem., 292, 2017
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5W69
| HLA-C*06:02 presenting ARFNDLRFV | 分子名称: | ALA-ARG-PHE-ASN-ASP-LEU-ARG-PHE-VAL, Beta-2-microglobulin, HLA class I histocompatibility antigen, ... | 著者 | Mobbs, J.I, Vivian, J.P, Rossjohn, J. | 登録日 | 2017-06-16 | 公開日 | 2017-08-23 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | The molecular basis for peptide repertoire selection in the human leucocyte antigen (HLA) C*06:02 molecule. J. Biol. Chem., 292, 2017
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5W54
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5WDU
| HIV-1 Env BG505 SOSIP.664 H72C-H564C trimer in complex with bNAbs PGT122 Fab, 35O22 Fab and NIH45-46 scFv | 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, Envelope glycoprotein gp160, ... | 著者 | Julien, J.-P, Torrents de la Pena, A, Sanders, R.W, Wilson, I.A. | 登録日 | 2017-07-06 | 公開日 | 2018-04-04 | 最終更新日 | 2022-11-30 | 実験手法 | X-RAY DIFFRACTION (7 Å) | 主引用文献 | Improving the Immunogenicity of Native-like HIV-1 Envelope Trimers by Hyperstabilization. Cell Rep, 20, 2017
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5TT7
| Discovery of TAK-659, an Orally Available Investigational Inhibitor of Spleen Tyrosine Kinase (SYK) | 分子名称: | 2-{[(1R,2S)-2-aminocyclohexyl]amino}-4-[(3-methylphenyl)amino]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-5-one, Tyrosine-protein kinase SYK | 著者 | Yano, J, Jennings, A, Lam, B, Hoffman, I.D. | 登録日 | 2016-11-01 | 公開日 | 2016-11-30 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | 主引用文献 | Discovery of TAK-659 an orally available investigational inhibitor of Spleen Tyrosine Kinase (SYK). Bioorg. Med. Chem. Lett., 26, 2016
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5TVC
| Crystal structure of a chimeric acetylcholine binding protein from Aplysia californica (Ac-AChBP) containing loop C from the human alpha 3 nicotinic acetylcholine receptor in complex with (E,2S)-N-methyl-5-(5-phenoxy-3-pyridyl)pent-4-en-2-amine (TI-5312) | 分子名称: | (E,2S)-N-methyl-5-(5-phenoxy-3-pyridyl)pent-4-en-2-amine, PENTAETHYLENE GLYCOL, SULFATE ION, ... | 著者 | Bobango, J, Wu, J, Talley, I.T, Talley, T.T. | 登録日 | 2016-11-08 | 公開日 | 2016-11-30 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.926 Å) | 主引用文献 | Crystal structure of a chimeric acetylcholine binding protein from Aplysia californica (Ac-AChBP) containing loop C from the human alpha 3 nicotinic acetylcholine receptor in complex with (E,2S)-N-methyl-5-(5-phenoxy-3-pyridyl)pent-4-en-2-amine (TI-5312) To Be Published
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7JU6
| Structure of RET protein tyrosine kinase in complex with selpercatinib | 分子名称: | FORMIC ACID, Proto-oncogene tyrosine-protein kinase receptor Ret, Selpercatinib | 著者 | Terzyan, S.S, Shen, T, Wu, J, Mooers, B.H.M. | 登録日 | 2020-08-19 | 公開日 | 2020-11-11 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.06 Å) | 主引用文献 | Structural basis of acquired resistance to selpercatinib and pralsetinib mediated by non-gatekeeper RET mutations. Ann Oncol, 32, 2021
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7UFZ
| Crystal structure of TDP1 complexed with compound XZ768 | 分子名称: | (4-{[(4S)-2-phenylimidazo[1,2-a]pyridin-3-yl]amino}phenyl)phosphonic acid, 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ... | 著者 | Lountos, G.T, Zhao, X.Z, Wang, W, Tropea, J.E, Needle, D, Pommier, Y, Burke, T.R. | 登録日 | 2022-03-23 | 公開日 | 2023-04-12 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.559 Å) | 主引用文献 | Phosphonic acid-containing inhibitors of tyrosyl-DNA phosphodiesterase 1. Front Chem, 10, 2022
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7UFY
| Crystal structure of TDP1 complexed with compound XZ766 | 分子名称: | 1,2-ETHANEDIOL, Tyrosyl-DNA phosphodiesterase 1, [(4-{[(4S)-2,7-diphenylimidazo[1,2-a]pyridin-3-yl]amino}phenyl)methyl]phosphonic acid | 著者 | Lountos, G.T, Zhao, X.Z, Wang, W, Tropea, J.E, Needle, D, Pommier, Y, Burke, T.R. | 登録日 | 2022-03-23 | 公開日 | 2023-04-12 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.584 Å) | 主引用文献 | Phosphonic acid-containing inhibitors of tyrosyl-DNA phosphodiesterase 1. Front Chem, 10, 2022
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5U6P
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