7PQT
 
 | | Apo human Kv3.1 cryo-EM structure | | 分子名称: | POTASSIUM ION, Potassium voltage-gated channel subfamily C member 1 | | 著者 | Botte, M, Huber, S, Bucher, D, Klint, J.K, Rodriguez, D, Tagmose, L, Chami, M, Cheng, R, Hennig, M, Abdul Rhaman, W. | | 登録日 | 2021-09-20 | | 公開日 | 2022-08-17 | | 最終更新日 | 2024-07-17 | | 実験手法 | ELECTRON MICROSCOPY (2.65 Å) | | 主引用文献 | Apo and ligand-bound high resolution Cryo-EM structures of the human Kv3.1 channel reveal a novel binding site for positive modulators.
Pnas Nexus, 1, 2022
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7Q59
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7PQU
 | | Ligand-bound human Kv3.1 cryo-EM structure (Lu AG00563) | | 分子名称: | 1-(4-methylphenyl)sulfonyl-N-(1,3-oxazol-2-ylmethyl)pyrrole-3-carboxamide, POTASSIUM ION, Potassium voltage-gated channel subfamily C member 1 | | 著者 | Botte, M, Huber, S, Bucher, D, Klint, J.K, Rodriguez, D, Tagmose, L, Chami, M, Cheng, R, Hennig, M, Abdul Rhaman, W. | | 登録日 | 2021-09-20 | | 公開日 | 2022-08-17 | | 最終更新日 | 2024-07-17 | | 実験手法 | ELECTRON MICROSCOPY (3.03 Å) | | 主引用文献 | Apo and ligand-bound high resolution Cryo-EM structures of the human Kv3.1 channel reveal a novel binding site for positive modulators.
Pnas Nexus, 1, 2022
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7PXZ
 | | Reduced form of SARS-CoV-2 Main Protease determined by XFEL radiation | | 分子名称: | 3C-like proteinase nsp5, CHLORIDE ION | | 著者 | Schubert, R, Reinke, P, Galchenkova, M, Oberthuer, D, Murillo, G.E.P, Kim, C, Bean, R, Turk, D, Hinrichs, W, Middendorf, P, Round, A, Schmidt, C, Mills, G, Kirkwood, H, Han, H, Koliyadu, J, Bielecki, J, Gelisio, L, Sikorski, M, Kloos, M, Vakilii, M, Yefanov, O.N, Vagovic, P, de-Wijn, R, Letrun, R, Guenther, S, White, T.A, Sato, T, Srinivasan, V, Kim, Y, Chretien, A, Han, S, Brognaro, H, Maracke, J, Knoska, J, Seychell, B.C, Brings, L, Norton-Baker, B, Geng, T, Dore, A.S, Uetrecht, C, Redecke, L, Beck, T, Lorenzen, K, Betzel, C, Mancuso, A.P, Bajt, S, Chapman, H.N, Meents, A, Lane, T.J. | | 登録日 | 2021-10-08 | | 公開日 | 2023-01-18 | | 最終更新日 | 2024-07-31 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | SARS-CoV-2 M pro responds to oxidation by forming disulfide and NOS/SONOS bonds.
Nat Commun, 15, 2024
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7PZQ
 | | Oxidized form of SARS-CoV-2 Main Protease determined by XFEL radiation | | 分子名称: | 3C-like proteinase nsp5, DIMETHYL SULFOXIDE | | 著者 | Schubert, R, Reinke, P, Galchenkova, M, Oberthuer, D, Murillo, G.E.P, Kim, C, Bean, R, Turk, D, Hinrichs, W, Middendorf, P, Round, A, Schmidt, C, Mills, G, Kirkwood, H, Han, H, Koliyadu, J, Bielecki, J, Gelisio, L, Sikorski, M, Kloos, M, Vakilii, M, Yefanov, O.N, Vagovic, P, de-Wijn, R, Letrun, R, Guenther, S, White, T.A, Sato, T, Srinivasan, V, Kim, Y, Chretien, A, Han, S, Brognaro, H, Maracke, J, Knoska, J, Seychell, B.C, Brings, L, Norton-Baker, B, Geng, T, Dore, A.S, Uetrecht, C, Redecke, L, Beck, T, Lorenzen, K, Betzel, C, Mancuso, A.P, Bajt, S, Chapman, H.N, Meents, A, Lane, T.J. | | 登録日 | 2021-10-13 | | 公開日 | 2023-01-25 | | 最終更新日 | 2024-07-31 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | SARS-CoV-2 M pro responds to oxidation by forming disulfide and NOS/SONOS bonds.
Nat Commun, 15, 2024
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6SHO
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6SFJ
 | | Crystal structure of p38 alpha in complex with compound 77 (MCP41) | | 分子名称: | Mitogen-activated protein kinase 14, ~{N}-[5-[[(2~{S})-1-azanyl-4-cyclohexyl-1-oxidanylidene-butan-2-yl]carbamoyl]-2-methyl-phenyl]-1-(2-methylphenyl)pyrazole-4-carboxamide | | 著者 | Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2019-08-01 | | 公開日 | 2019-09-11 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Fast Iterative Synthetic Approach toward Identification of Novel Highly Selective p38 MAP Kinase Inhibitors.
J.Med.Chem., 62, 2019
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7W47
 | | Crystal structure of the gastric proton pump complexed with tegoprazan | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, MAGNESIUM ION, Potassium-transporting ATPase alpha chain 1, ... | | 著者 | Abe, K, Tanaka, S, Morita, M, Yamagishi, T. | | 登録日 | 2021-11-26 | | 公開日 | 2022-01-05 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Structural Basis for Binding of Potassium-Competitive Acid Blockers to the Gastric Proton Pump.
J.Med.Chem., 65, 2022
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3RZY
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6SGK
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3S5Y
 | | Pharmacological Chaperoning in Human alpha-Galactosidase | | 分子名称: | (2R,3S,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Guce, A.I, Clark, N.E, Garman, S.C. | | 登録日 | 2011-05-23 | | 公開日 | 2012-01-04 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.105 Å) | | 主引用文献 | The molecular basis of pharmacological chaperoning in human alpha-galactosidase
Chem.Biol., 18, 2011
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7W48
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7W49
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3S7S
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3S37
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6SIJ
 | | SAD structure of Hen Egg White Lysozyme recovered by continuous rotation data collection and multivariate analysis of Friedel pairs | | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ... | | 著者 | Garcia-Bonete, M.J, Katona, G. | | 登録日 | 2019-08-10 | | 公開日 | 2019-11-06 | | 最終更新日 | 2019-11-13 | | 実験手法 | X-RAY DIFFRACTION (1.61018026 Å) | | 主引用文献 | Bayesian machine learning improves single-wavelength anomalous diffraction phasing.
Acta Crystallogr.,Sect.A, 75, 2019
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3SAO
 | | The Siderocalin Ex-FABP functions through dual ligand specificities | | 分子名称: | (2R)-2-hydroxy-3-(phosphonooxy)propyl tetradecanoate, 2,3-DIHYDROXY-BENZOIC ACID, Extracellular fatty acid-binding protein, ... | | 著者 | Correnti, C, Strong, R.K, Clifton, M.C. | | 登録日 | 2011-06-03 | | 公開日 | 2011-12-28 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Galline Ex-FABP Is an Antibacterial Siderocalin and a Lysophosphatidic Acid Sensor Functioning through Dual Ligand Specificities.
Structure, 19, 2011
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6SD9
 | | Crystal structure of wild-type cMET bound by foretinib | | 分子名称: | CHLORIDE ION, Hepatocyte growth factor receptor, N-(3-fluoro-4-{[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy}phenyl)-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide | | 著者 | Collie, G.W, Phillips, C. | | 登録日 | 2019-07-26 | | 公開日 | 2019-08-14 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Structural and Molecular Insight into Resistance Mechanisms of First Generation cMET Inhibitors.
Acs Med.Chem.Lett., 10, 2019
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6SDC
 | | Crystal structure of D1228V cMET bound by foretinib | | 分子名称: | Hepatocyte growth factor receptor, N-(3-fluoro-4-{[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy}phenyl)-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide | | 著者 | Collie, G.W, Phillips, C. | | 登録日 | 2019-07-26 | | 公開日 | 2019-08-14 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | | 主引用文献 | Structural and Molecular Insight into Resistance Mechanisms of First Generation cMET Inhibitors.
Acs Med.Chem.Lett., 10, 2019
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7PLL
 | | Structure of the murine cortactin C-SH3 domain in complex with a Pyk2 proline-rich ligand | | 分子名称: | Pyk2-PRR2 peptide, Src substrate cortactin | | 著者 | Sokolik, C.G, Samson, A.O, Gil-Henn, H, Chill, J.H. | | 登録日 | 2021-08-31 | | 公開日 | 2022-07-13 | | 最終更新日 | 2024-06-19 | | 実験手法 | SOLUTION NMR | | 主引用文献 | A novel Pyk2-derived peptide inhibits invadopodia-mediated breast cancer metastasis.
Oncogene, 42, 2023
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6SDD
 | | Crystal structure of D1228V cMET bound by BMS-777607 | | 分子名称: | GLYCEROL, Hepatocyte growth factor receptor, N-{4-[(2-amino-3-chloropyridin-4-yl)oxy]-3-fluorophenyl}-4-ethoxy-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide | | 著者 | Collie, G.W, Phillips, C. | | 登録日 | 2019-07-26 | | 公開日 | 2019-08-14 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | | 主引用文献 | Structural and Molecular Insight into Resistance Mechanisms of First Generation cMET Inhibitors.
Acs Med.Chem.Lett., 10, 2019
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6SDE
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6SJU
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7QU1
 | | Machupo virus GP1 glycoprotein in complex with Fab fragment of antibody MAC1 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab MAC1 heavy chain, Fab MAC1 light chain, ... | | 著者 | Ng, W.M, Sahin, M, Krumm, S.A, Seow, J, Zeltina, A, Harlos, K, Paesen, G, Pinschewer, D.D, Doores, K.J, Bowden, T.A. | | 登録日 | 2022-01-17 | | 公開日 | 2022-02-09 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.91 Å) | | 主引用文献 | Contrasting Modes of New World Arenavirus Neutralization by Immunization-Elicited Monoclonal Antibodies.
Mbio, 13, 2022
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7QU2
 | | Junin virus GP1 glycoprotein in complex with Fab fragment of antibody JUN1 | | 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, Fab JUN1 heavy chain, ... | | 著者 | Ng, W.M, Sahin, M, Krumm, S.A, Seow, J, Zeltina, A, Harlos, K, Paesen, G, Pinschewer, D.D, Doores, K.J, Bowden, T.A. | | 登録日 | 2022-01-17 | | 公開日 | 2022-02-09 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Contrasting Modes of New World Arenavirus Neutralization by Immunization-Elicited Monoclonal Antibodies.
Mbio, 13, 2022
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