4R3M
| Crystal structure of Human Hsp90 with JR9 | Descriptor: | Heat shock protein HSP 90-alpha, N~3~-benzyl-2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]imidazo[1,2-a]pyrazine-3,8-diamine | Authors: | Li, J, Yang, M, Ren, J, Xiong, B, He, J. | Deposit date: | 2014-08-16 | Release date: | 2014-11-05 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Multi-substituted 8-aminoimidazo[1,2-a]pyrazines by Groebke-Blackburn-Bienayme reaction and their Hsp90 inhibitory activity. Org.Biomol.Chem., 13, 2015
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1WAM
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4RX8
| SYK Catalytic Domain Complexed with a Potent Triazine Inhibitor2 | Descriptor: | 3-{[(1R,2S)-2-aminocyclohexyl]amino}-5-(1H-indol-7-ylamino)-1,2,4-triazine-6-carboxamide, GLYCEROL, Tyrosine-protein kinase SYK | Authors: | Lee, C.C. | Deposit date: | 2014-12-09 | Release date: | 2015-03-18 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Discovery and profiling of a selective and efficacious syk inhibitor. J.Med.Chem., 58, 2015
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4RX9
| SYK Catalytic Domain Complexed with a Potent Pyrimidine Inhibitor | Descriptor: | 2-{[(1R,2S)-2-aminocyclohexyl]amino}-4-{[3-(2H-1,2,3-triazol-2-yl)phenyl]amino}pyrimidine-5-carboxamide, GLYCEROL, Tyrosine-protein kinase SYK | Authors: | Lee, C.C. | Deposit date: | 2014-12-09 | Release date: | 2015-03-18 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Discovery and profiling of a selective and efficacious syk inhibitor. J.Med.Chem., 58, 2015
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4RX7
| SYK Catalytic Domain Complexed with a Potent Triazine Inhibitor | Descriptor: | 3-{[(1R,2S)-2-aminocyclohexyl]amino}-5-{[3-(2H-1,2,3-triazol-2-yl)phenyl]amino}-1,2,4-triazine-6-carboxamide, FORMIC ACID, GLYCEROL, ... | Authors: | Lee, C.C. | Deposit date: | 2014-12-09 | Release date: | 2015-03-18 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery and profiling of a selective and efficacious syk inhibitor. J.Med.Chem., 58, 2015
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8JVA
| Cryo-EM structure of the N-terminal domain of Omicron BA.1 in complex with nanobody N235 and S2L20 Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, S2L20 heavy chain, S2L20 light chain, ... | Authors: | Liu, B, Liu, H.H, Han, P, Qi, J.X. | Deposit date: | 2023-06-28 | Release date: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (2.81 Å) | Cite: | Enhanced potency of an IgM-like nanobody targeting conserved epitope in SARS-CoV-2 spike N-terminal domain. Signal Transduct Target Ther, 9, 2024
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6M2N
| SARS-CoV-2 3CL protease (3CL pro) in complex with a novel inhibitor | Descriptor: | 3C-like proteinase, 5,6,7-trihydroxy-2-phenyl-4H-chromen-4-one | Authors: | Su, H.X, Zhao, W.F, Li, M.J, Xie, H, Xu, Y.C. | Deposit date: | 2020-02-28 | Release date: | 2020-04-15 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.198 Å) | Cite: | Anti-SARS-CoV-2 activities in vitro of Shuanghuanglian preparations and bioactive ingredients. Acta Pharmacol.Sin., 41, 2020
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7XOE
| Cryo-EM structure of S glycoprotein encoded by the Covid-19 mRNA vaccine candidate RQ3013 (Prefusion state) | 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,peptide | Authors: | Wu, Z, Yu, Z, Tan, S, Lu, J, Lu, G, Lin, J. | Deposit date: | 2022-05-01 | Release date: | 2024-02-14 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Preclinical evaluation of RQ3013, a broad-spectrum mRNA vaccine against SARS-CoV-2 variants. Sci Bull (Beijing), 68, 2023
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7XOG
| Cryo-EM structure of S glycoprotein encoded by the Covid-19 mRNA vaccine candidate RQ3013 (Postfusion state) | 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,peptide, ... | Authors: | Wu, Z, Yu, Z, Tan, S, Lu, J, Lu, G, Lin, J. | Deposit date: | 2022-05-01 | Release date: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Preclinical evaluation of RQ3013, a broad-spectrum mRNA vaccine against SARS-CoV-2 variants. Sci Bull (Beijing), 68, 2023
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6M2Q
| SARS-CoV-2 3CL protease (3CL pro) apo structure (space group C21) | Descriptor: | 3C-like proteinase | Authors: | Su, H.X, Zhao, W.F, Li, M.J, Xie, H, Xu, Y.C. | Deposit date: | 2020-02-28 | Release date: | 2020-04-15 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Anti-SARS-CoV-2 activities in vitro of Shuanghuanglian preparations and bioactive ingredients. Acta Pharmacol.Sin., 41, 2020
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8J5J
| The crystal structure of bat coronavirus RsYN04 RBD bound to the antibody S43 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, nano antibody S43 | Authors: | Zhao, R.C, Niu, S, Han, P, Qi, J.X, Gao, G.F, Wang, Q.H. | Deposit date: | 2023-04-23 | Release date: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Cross-species recognition of bat coronavirus RsYN04 and cross-reaction of SARS-CoV-2 antibodies against the virus. Zool.Res., 44, 2023
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4RLP
| Human p70s6k1 with ruthenium-based inhibitor FL772 | Descriptor: | CHLORIDE ION, [(amino-kappaN)methanethiolato](3-fluoro-9-methoxypyrido[2,3-a]pyrrolo[3,4-c]carbazole-5,7(6H,12H)-dionato-kappa~2~N,N')(N-methyl-1,4,7-trithiecan-9-amine-kappa~3~S~1~,S~4~,S~7~)ruthenium, p70S6K1 | Authors: | Domsic, J.F, Barber-Rotenberg, J, Salami, J, Qin, J, Marmorstein, R. | Deposit date: | 2014-10-17 | Release date: | 2015-01-21 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.79 Å) | Cite: | Development of Organometallic S6K1 Inhibitors. J.Med.Chem., 58, 2015
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4RLO
| Human p70s6k1 with ruthenium-based inhibitor EM5 | Descriptor: | CHLORIDE ION, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Domsic, J.F, Barber-Rotenberg, J, Salami, J, Qin, J, Marmorstein, R. | Deposit date: | 2014-10-17 | Release date: | 2015-01-21 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.527 Å) | Cite: | Development of Organometallic S6K1 Inhibitors. J.Med.Chem., 58, 2015
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5JRC
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1V0J
| Udp-galactopyranose mutase from Mycobacterium tuberculosis | Descriptor: | BICINE, FLAVIN-ADENINE DINUCLEOTIDE, UDP-GALACTOPYRANOSE MUTASE | Authors: | Beis, K, Naismith, J.H. | Deposit date: | 2004-03-30 | Release date: | 2005-01-26 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Crystal structures of Mycobacteria tuberculosis and Klebsiella pneumoniae UDP-galactopyranose mutase in the oxidised state and Klebsiella pneumoniae UDP-galactopyranose mutase in the (active) reduced state. J. Mol. Biol., 348, 2005
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8IYJ
| Cryo-EM structure of the 48-nm repeat doublet microtubule from mouse sperm | Descriptor: | Cilia and flagella-associated protein 77, Cilia- and flagella-associated protein 107, Cilia- and flagella-associated protein 141, ... | Authors: | Zhou, L.N, Gui, M, Wu, J.P. | Deposit date: | 2023-04-05 | Release date: | 2023-07-05 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Structures of sperm flagellar doublet microtubules expand the genetic spectrum of male infertility. Cell, 186, 2023
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7D9P
| Crystal Structure of Recombinant Human Acetylcholinesterase in Complex with Compound 12 | Descriptor: | (2S)-2-[[4-fluoranyl-1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase | Authors: | Liu, Q.F, Yin, W.C. | Deposit date: | 2020-10-14 | Release date: | 2021-08-25 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Kinetics-Driven Drug Design Strategy for Next-Generation Acetylcholinesterase Inhibitors to Clinical Candidate. J.Med.Chem., 64, 2021
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7D9Q
| Crystal Structure of Recombinant Human Acetylcholinesterase in Complex with Compound 7 | Descriptor: | (2S)-2-[[4-fluoranyl-1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase | Authors: | Liu, Q.F, Yin, W.C. | Deposit date: | 2020-10-14 | Release date: | 2021-08-25 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.66 Å) | Cite: | Kinetics-Driven Drug Design Strategy for Next-Generation Acetylcholinesterase Inhibitors to Clinical Candidate. J.Med.Chem., 64, 2021
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7D9O
| Crystal Structure of Recombinant Human Acetylcholinesterase in Complex with Compound 2 | Descriptor: | (2R)-2-[[4-fluoranyl-1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase | Authors: | Liu, Q.F, Yin, W.C. | Deposit date: | 2020-10-14 | Release date: | 2021-08-25 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Kinetics-Driven Drug Design Strategy for Next-Generation Acetylcholinesterase Inhibitors to Clinical Candidate. J.Med.Chem., 64, 2021
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5JRE
| Crystal structure of NeC3PO in complex with ssDNA. | Descriptor: | 9-METHYL-9H-PURIN-6-AMINE, ADENINE, NEQ131, ... | Authors: | Gan, J, Zhang, J. | Deposit date: | 2016-05-06 | Release date: | 2016-09-28 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural basis for single-stranded RNA recognition and cleavage by C3PO Nucleic Acids Res., 44, 2016
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2BI8
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2BI7
| udp-galactopyranose mutase from Klebsiella pneumoniae oxidised FAD | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, UDP-GALACTOPYRANOSE MUTASE | Authors: | Beis, K, Srikannathasan, V, Naismith, J. | Deposit date: | 2005-01-20 | Release date: | 2005-05-05 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structures of Mycobacteria Tuberculosis and Klebsiella Pneumoniae Udp-Galactopyranose Mutase in the Oxidised State and Klebsiella Pneumoniae Udp-Galactopyranose Mutase in the (Active) Reduced State. J.Mol.Biol., 348, 2005
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2CKG
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6KK7
| Structure of thermal-stabilised(M6) human GLP-1 receptor transmembrane domain | Descriptor: | Glucagon-like peptide 1 receptor,Endolysin,Glucagon-like peptide 1 receptor, N-{4-[(R)-(3,3-dimethylcyclobutyl)({6-[4-(trifluoromethyl)-1H-imidazol-1-yl]pyridin-3-yl}amino)methyl]benzene-1-carbonyl}-beta-alanine | Authors: | Song, G. | Deposit date: | 2019-07-23 | Release date: | 2019-11-13 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Mutagenesis facilitated crystallization of GLP-1R. Iucrj, 6, 2019
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6KK1
| Structure of thermal-stabilised(M8) human GLP-1 receptor transmembrane domain | Descriptor: | Glucagon-like peptide 1 receptor,Endolysin,Glucagon-like peptide 1 receptor, N-{4-[(R)-(3,3-dimethylcyclobutyl)({6-[4-(trifluoromethyl)-1H-imidazol-1-yl]pyridin-3-yl}amino)methyl]benzene-1-carbonyl}-beta-alanine | Authors: | Song, G. | Deposit date: | 2019-07-23 | Release date: | 2019-11-13 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Mutagenesis facilitated crystallization of GLP-1R. Iucrj, 6, 2019
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