7WHZ
 
 | | SARS-CoV-2 spike protein in complex with three human neutralizing antibodies | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, IG c1437_light_IGLV1-40_IGLJ1, IG c934_light_IGKV1-5_IGKJ1, ... | | Authors: | Zheng, Q, Li, S, Sun, H, Zheng, Z, Wang, S. | | Deposit date: | 2022-01-01 | | Release date: | 2022-06-22 | | Method: | ELECTRON MICROSCOPY (3.42 Å) | | Cite: | Three SARS-CoV-2 antibodies provide broad and synergistic neutralization against variants of concern, including Omicron.
Cell Rep, 39, 2022
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7WH8
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7WHB
 | | SARS-CoV-2 spike in complex with the ZB8 neutralizing antibody Fab (3U) | | Descriptor: | 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, ... | | Authors: | Zeng, J.W, Ge, J.W, Wang, X.Q. | | Deposit date: | 2021-12-30 | | Release date: | 2023-01-18 | | Last modified: | 2023-09-06 | | Method: | ELECTRON MICROSCOPY (2.67 Å) | | Cite: | SARS-CoV-2 hijacks neutralizing dimeric IgA for nasal infection and injury in Syrian hamsters 1 .
Emerg Microbes Infect, 12, 2023
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7WHD
 | | SARS-CoV-2 spike in complex with the ZB8 neutralizing antibody Fab (2u1d) | | Descriptor: | 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, ... | | Authors: | Zeng, J.W, Wang, X.W, Ge, J.W, Wang, Z.Y. | | Deposit date: | 2021-12-30 | | Release date: | 2023-01-18 | | Last modified: | 2023-09-06 | | Method: | ELECTRON MICROSCOPY (2.65 Å) | | Cite: | SARS-CoV-2 hijacks neutralizing dimeric IgA for nasal infection and injury in Syrian hamsters 1 .
Emerg Microbes Infect, 12, 2023
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7YKJ
 | | Omicron RBDs bound with P3E6 Fab (one up and one down) | | Descriptor: | P3E6 heavy chain, P3E6 light chain, Spike glycoprotein | | Authors: | Tang, B, Dang, S. | | Deposit date: | 2022-07-22 | | Release date: | 2022-12-28 | | Last modified: | 2023-01-18 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Structural insights into broadly neutralizing antibodies elicited by hybrid immunity against SARS-CoV-2.
Emerg Microbes Infect, 12, 2023
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3U6J
 | | Crystal structure of the VEGFR2 kinase domain in complex with a pyrazolone inhibitor | | Descriptor: | N-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]-3-fluorophenyl}-1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamide, Vascular endothelial growth factor receptor 2 | | Authors: | Whittington, D.A, Long, A, Rose, P, Gu, Y, Zhao, H. | | Deposit date: | 2011-10-12 | | Release date: | 2012-02-22 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structure-based design of novel class II c-Met inhibitors: 1. Identification of pyrazolone-based derivatives.
J.Med.Chem., 55, 2012
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3TJC
 | | Co-crystal structure of jak2 with thienopyridine 8 | | Descriptor: | 4-amino-N-methyl-2-[4-(morpholin-4-yl)phenyl]thieno[3,2-c]pyridine-7-carboxamide, Tyrosine-protein kinase JAK2 | | Authors: | Huang, X. | | Deposit date: | 2011-08-24 | | Release date: | 2011-11-30 | | Last modified: | 2011-12-28 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Discovery of potent and highly selective thienopyridine janus kinase 2 inhibitors.
J.Med.Chem., 54, 2011
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3U6I
 | | Crystal structure of c-Met in complex with pyrazolone inhibitor 58a | | Descriptor: | Hepatocyte growth factor receptor, N-{3-fluoro-4-[(7-methoxyquinolin-4-yl)oxy]phenyl}-1-[(2R)-2-hydroxypropyl]-5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamide | | Authors: | Bellon, S.F, Whittington, D.A, Long, A.L. | | Deposit date: | 2011-10-12 | | Release date: | 2012-02-22 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure-based design of novel class II c-Met inhibitors: 1. Identification of pyrazolone-based derivatives.
J.Med.Chem., 55, 2012
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7UFJ
 | | Structure of human MR1-ethylvanillin in complex with human MAIT A-F7 TCR | | Descriptor: | 3-ethoxy-4-hydroxybenzaldehyde, ACETATE ION, Beta-2-microglobulin, ... | | Authors: | Wang, C.J, Rossjohn, J, Le Nours, J. | | Deposit date: | 2022-03-22 | | Release date: | 2022-12-14 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Quantitative affinity measurement of small molecule ligand binding to Major Histocompatibility Complex class-I related protein 1 MR1.
J.Biol.Chem., 298, 2022
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7TQ4
 | | Structure of SARS-CoV-2 3CL protease in complex with the cyclopropane based inhibitor 6c | | Descriptor: | 3C-like proteinase, N~2~-({[(1R,2R)-2-(3-chlorophenyl)cyclopropyl]methoxy}carbonyl)-N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide | | Authors: | Lovell, S, Battaile, K.P, Nguyen, H.N, Chamandi, S.D, Picard, H.R, Madden, T.K, Thruman, H.A, Kim, Y, Groutas, W.C, Chang, K.O. | | Deposit date: | 2022-01-26 | | Release date: | 2022-06-22 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Broad-Spectrum Cyclopropane-Based Inhibitors of Coronavirus 3C-like Proteases: Biochemical, Structural, and Virological Studies.
Acs Pharmacol Transl Sci, 6, 2023
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7TQ2
 | | Structure of SARS-CoV-2 3CL protease in complex with the cyclopropane based inhibitor 1c | | Descriptor: | 3C-like proteinase, N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-({[(1R,2R)-2-phenylcyclopropyl]methoxy}carbonyl)-L-leucinamide | | Authors: | Lovell, S, Kashipathy, M.M, Battaile, K.P, Nguyen, H.N, Chamandi, S.D, Picard, H.R, Madden, T.K, Thruman, H.A, Kim, Y, Groutas, W.C, Chang, K.O. | | Deposit date: | 2022-01-26 | | Release date: | 2022-06-22 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Broad-Spectrum Cyclopropane-Based Inhibitors of Coronavirus 3C-like Proteases: Biochemical, Structural, and Virological Studies.
Acs Pharmacol Transl Sci, 6, 2023
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7TQ3
 | | Structure of SARS-CoV-2 3CL protease in complex with the cyclopropane based inhibitor 5c | | Descriptor: | 3C-like proteinase, N~2~-({[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]methoxy}carbonyl)-N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide | | Authors: | Lovell, S, Battaile, K.P, Nguyen, H.N, Chamandi, S.D, Picard, H.R, Madden, T.K, Thruman, H.A, Kim, Y, Groutas, W.C, Chang, K.O. | | Deposit date: | 2022-01-26 | | Release date: | 2022-06-22 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Broad-Spectrum Cyclopropane-Based Inhibitors of Coronavirus 3C-like Proteases: Biochemical, Structural, and Virological Studies.
Acs Pharmacol Transl Sci, 6, 2023
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7VU8
 | | L7-Tir domain with bound ligand | | Descriptor: | 2',3'- cyclic AMP, Flax rust resistance protein | | Authors: | Tan, Y, Xu, C, Yu, D, Song, W, Wu, B, Schulze-Lefert, P, Chai, J. | | Deposit date: | 2021-11-01 | | Release date: | 2022-06-01 | | Last modified: | 2024-06-26 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | TIR domains of plant immune receptors are 2',3'-cAMP/cGMP synthetases mediating cell death.
Cell, 185, 2022
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3U6H
 | | Crystal structure of c-Met in complex with pyrazolone inhibitor 26 | | Descriptor: | Hepatocyte growth factor receptor, N-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]-3-fluorophenyl}-1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamide | | Authors: | Bellon, S.F, Whittington, D.A, Long, A.L. | | Deposit date: | 2011-10-12 | | Release date: | 2012-02-22 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure-based design of novel class II c-Met inhibitors: 1. Identification of pyrazolone-based derivatives.
J.Med.Chem., 55, 2012
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3V43
 | | Crystal structure of MOZ | | Descriptor: | ACETATE ION, Histone H3.1, Histone acetyltransferase KAT6A, ... | | Authors: | Qiu, Y, Li, F. | | Deposit date: | 2011-12-14 | | Release date: | 2012-06-27 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Combinatorial readout of unmodified H3R2 and acetylated H3K14 by the tandem PHD finger of MOZ reveals a regulatory mechanism for HOXA9 transcription
Genes Dev., 26, 2012
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4L6Q
 | | ROCK2 in complex with benzoxaborole | | Descriptor: | 6-[4-(aminomethyl)-2-fluorophenoxy]-2,1-benzoxaborol-1(3H)-ol, Rho-associated protein kinase 2 | | Authors: | Rock, F, Jarnagin, K. | | Deposit date: | 2013-06-12 | | Release date: | 2013-10-02 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.79 Å) | | Cite: | Linking phenotype to kinase: identification of a novel benzoxaborole hinge-binding motif for kinase inhibition and development of high-potency rho kinase inhibitors.
J.Pharmacol.Exp.Ther., 347, 2013
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3TJD
 | | co-crystal structure of Jak2 with thienopyridine 19 | | Descriptor: | 4-amino-2-[4-(tert-butylsulfamoyl)phenyl]-N-methylthieno[3,2-c]pyridine-7-carboxamide, Tyrosine-protein kinase JAK2 | | Authors: | Huang, X. | | Deposit date: | 2011-08-24 | | Release date: | 2011-11-30 | | Last modified: | 2011-12-28 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Discovery of potent and highly selective thienopyridine janus kinase 2 inhibitors.
J.Med.Chem., 54, 2011
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4I80
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4M36
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7EKI
 | | human alpha 7 nicotinic acetylcholine receptor in apo-form | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, ... | | Authors: | Liu, S, Zhao, Y, Sun, D, Tian, C. | | Deposit date: | 2021-04-05 | | Release date: | 2021-05-19 | | Last modified: | 2021-06-16 | | Method: | ELECTRON MICROSCOPY (3.18 Å) | | Cite: | Structural basis of human alpha 7 nicotinic acetylcholine receptor activation.
Cell Res., 31, 2021
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7EKP
 | | human alpha 7 nicotinic acetylcholine receptor bound to EVP-6124 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 7-chloro-N-(quinuclidin-3-yl)benzo[b]thiophene-2-carboxamide, ... | | Authors: | Liu, S, Zhao, Y, Sun, D, Tian, C. | | Deposit date: | 2021-04-06 | | Release date: | 2021-05-19 | | Last modified: | 2021-06-16 | | Method: | ELECTRON MICROSCOPY (2.85 Å) | | Cite: | Structural basis of human alpha 7 nicotinic acetylcholine receptor activation.
Cell Res., 31, 2021
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7EKT
 | | human alpha 7 nicotinic acetylcholine receptor bound to EVP-6124 and PNU-120596 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 7-chloro-N-(quinuclidin-3-yl)benzo[b]thiophene-2-carboxamide, ... | | Authors: | Liu, S, Zhao, Y, Sun, D, Tian, C. | | Deposit date: | 2021-04-06 | | Release date: | 2021-05-19 | | Last modified: | 2021-06-16 | | Method: | ELECTRON MICROSCOPY (3.02 Å) | | Cite: | Structural basis of human alpha 7 nicotinic acetylcholine receptor activation.
Cell Res., 31, 2021
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6IXL
 | | Crystal structure of isocitrate dehydrogenase from Ostreococcus tauri | | Descriptor: | GLYCEROL, Isocitrate dehydrogenase, SULFATE ION | | Authors: | Zhu, G.P, Tang, W.G, Wang, P. | | Deposit date: | 2018-12-11 | | Release date: | 2019-12-18 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Crystal structures of NAD + -linked isocitrate dehydrogenase from the green alga Ostreococcus tauri and its evolutionary relationship with eukaryotic NADP + -linked homologs.
Arch.Biochem.Biophys., 708, 2021
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6J94
 | | Crystal structure of CYP97A3 | | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, Protein LUTEIN DEFICIENT 5, chloroplastic | | Authors: | Niu, G, Guo, Q, Wang, J, Zhao, S. | | Deposit date: | 2019-01-22 | | Release date: | 2020-01-22 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.401 Å) | | Cite: | Structural basis for plant lutein biosynthesis from alpha-carotene.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6IXN
 | | Crystal structure of isocitrate dehydrogenase from Ostreococcus tauri in complex with NAD+ and citrate | | Descriptor: | CITRATE ANION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | Zhu, G.P, Tang, W.G, Wang, P. | | Deposit date: | 2018-12-11 | | Release date: | 2019-12-18 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Crystal structures of NAD + -linked isocitrate dehydrogenase from the green alga Ostreococcus tauri and its evolutionary relationship with eukaryotic NADP + -linked homologs.
Arch.Biochem.Biophys., 708, 2021
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