6V9C
| Crystal structure of FGFR4 kinase domain in complex with covalent inhibitor | Descriptor: | Fibroblast growth factor receptor 4, N-[(3R,4S)-4-{[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-2-yl]amino}oxolan-3-yl]prop-2-enamide, SULFATE ION | Authors: | Liu, J, Liu, H. | Deposit date: | 2019-12-13 | Release date: | 2020-03-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery of Selective, Covalent FGFR4 Inhibitors with Antitumor Activity in Models of Hepatocellular Carcinoma. Acs Med.Chem.Lett., 11, 2020
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7VKB
| Crystal structure of the a bacterial kinase complex | Descriptor: | DI(HYDROXYETHYL)ETHER, HipA (Persistence to inhibition of murein or DNA biosynthesis), HipA_C domain-containing protein, ... | Authors: | Zhen, X, Ouyang, S.Y. | Deposit date: | 2021-09-29 | Release date: | 2022-06-29 | Last modified: | 2022-08-03 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Molecular mechanism of toxin neutralization in the HipBST toxin-antitoxin system of Legionella pneumophila. Nat Commun, 13, 2022
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7VKC
| Crystal structure of a bacterial Ser/Thr kinase | Descriptor: | HipA_C domain-containing protein | Authors: | Zhen, X, Ouyang, S.Y. | Deposit date: | 2021-09-29 | Release date: | 2022-06-29 | Last modified: | 2022-08-03 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | Molecular mechanism of toxin neutralization in the HipBST toxin-antitoxin system of Legionella pneumophila. Nat Commun, 13, 2022
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5JWA
| the structure of malaria PfNDH2 | Descriptor: | ACETATE ION, FLAVIN-ADENINE DINUCLEOTIDE, FRAGMENT OF TRITON X-100, ... | Authors: | Yu, Y, Yang, Y.Q, Li, X.L, Yu, J, Ge, J.P, Li, J, Rao, Y, Yang, M.J. | Deposit date: | 2016-05-11 | Release date: | 2017-03-22 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.162 Å) | Cite: | Target Elucidation by Cocrystal Structures of NADH-Ubiquinone Oxidoreductase of Plasmodium falciparum (PfNDH2) with Small Molecule To Eliminate Drug-Resistant Malaria J. Med. Chem., 60, 2017
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5JWC
| Structure of NDH2 from plasmodium falciparum in complex with RYL-552 | Descriptor: | 5-fluoro-3-methyl-2-{4-[4-(trifluoromethoxy)benzyl]phenyl}quinolin-4(1H)-one, FLAVIN-ADENINE DINUCLEOTIDE, FRAGMENT OF TRITON X-100, ... | Authors: | Yu, Y. | Deposit date: | 2016-05-12 | Release date: | 2017-03-22 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.051 Å) | Cite: | Target Elucidation by Cocrystal Structures of NADH-Ubiquinone Oxidoreductase of Plasmodium falciparum (PfNDH2) with Small Molecule To Eliminate Drug-Resistant Malaria J. Med. Chem., 60, 2017
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7FC3
| structure of NL63 receptor-binding domain complexed with horse ACE2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme, ... | Authors: | Wang, X.Q, Ge, J.W, Lan, J. | Deposit date: | 2021-07-13 | Release date: | 2021-09-22 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.19 Å) | Cite: | Structural insights into the binding of SARS-CoV-2, SARS-CoV, and hCoV-NL63 spike receptor-binding domain to horse ACE2. Structure, 30, 2022
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7FC5
| Crystal structure of SARS-CoV-2 RBD and horse ACE2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme, Spike protein S1 | Authors: | Wang, X.Q, Lan, J, Ge, J.W. | Deposit date: | 2021-07-13 | Release date: | 2022-06-22 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.894 Å) | Cite: | Structural insights into the binding of SARS-CoV-2, SARS-CoV, and hCoV-NL63 spike receptor-binding domain to horse ACE2. Structure, 30, 2022
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7FC6
| Crystal structure of SARS-CoV RBD and horse ACE2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme, ... | Authors: | Wang, X.Q, Lan, J, Ge, J.W. | Deposit date: | 2021-07-13 | Release date: | 2022-07-13 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.655 Å) | Cite: | Structural insights into the binding of SARS-CoV-2, SARS-CoV, and hCoV-NL63 spike receptor-binding domain to horse ACE2. Structure, 30, 2022
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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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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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8HB9
| Crystal Structure of Human IDH1 R132H Mutant in Complex with NADPH and Compound IHMT-IDH1-053 | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, Isocitrate dehydrogenase [NADP] cytoplasmic, ... | Authors: | Guo, G, Wang, B, Liu, J, Liu, Q. | Deposit date: | 2022-10-27 | Release date: | 2023-05-24 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure-based discovery of IHMT-IDH1-053 as a potent irreversible IDH1 mutant selective inhibitor. Eur.J.Med.Chem., 256, 2023
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7E8M
| Crystal structure of SARS-CoV-2 antibody P2C-1F11 with mutated RBD | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody P2C-1F11 heavy chain, ... | Authors: | Wang, X.Q, Zhang, L.Q, Ge, J.W, Wang, R.K, Lan, J. | Deposit date: | 2021-03-02 | Release date: | 2021-05-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Analysis of SARS-CoV-2 variant mutations reveals neutralization escape mechanisms and the ability to use ACE2 receptors from additional species. Immunity, 54, 2021
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8GWB
| SARS-CoV-2 E-RTC complex with RNA-nsp9 | Descriptor: | Helicase, MANGANESE (II) ION, Non-structural protein 7, ... | Authors: | Yan, L.M, Rao, Z.H, Lou, Z.Y. | Deposit date: | 2022-09-16 | Release date: | 2022-12-07 | Last modified: | 2023-10-25 | Method: | ELECTRON MICROSCOPY (2.75 Å) | Cite: | A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analog inhibitors. Cell, 185, 2022
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8GWE
| SARS-CoV-2 E-RTC complex with RNA-nsp9 and GMPPNP | Descriptor: | Helicase nsp13, MAGNESIUM ION, Non-structural protein 8, ... | Authors: | Yan, L.M, Rao, Z.H, Lou, Z.Y. | Deposit date: | 2022-09-16 | Release date: | 2023-01-11 | Last modified: | 2023-10-25 | Method: | ELECTRON MICROSCOPY (2.66 Å) | Cite: | A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analog inhibitors. Cell, 185, 2022
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8GWF
| A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analogue inhibitors | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, Helicase, Non-structural protein 7, ... | Authors: | Yan, L.Y, Huang, Y.C, Rao, Z.H, Lou, Z.Y. | Deposit date: | 2022-09-17 | Release date: | 2023-01-11 | Method: | ELECTRON MICROSCOPY (3.39 Å) | Cite: | A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analog inhibitors. Cell, 185, 2022
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8GW1
| A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analogue inhibitors | Descriptor: | Helicase, MANGANESE (II) ION, Non-structural protein 7, ... | Authors: | Yan, L, Rao, Z, Lou, Z. | Deposit date: | 2022-09-16 | Release date: | 2023-10-25 | Last modified: | 2024-01-24 | Method: | ELECTRON MICROSCOPY (3.31 Å) | Cite: | A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analog inhibitors. Cell, 185, 2022
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8GWM
| SARS-CoV-2 E-RTC bound with MMP-nsp9 and GMPPNP | Descriptor: | 2'-deoxy-2'-fluoro-2'-methyluridine 5'-(trihydrogen diphosphate), Helicase, Non-structural protein 7, ... | Authors: | Yan, L.M, Rao, Z.H, Lou, Z.Y. | Deposit date: | 2022-09-17 | Release date: | 2024-02-28 | Method: | ELECTRON MICROSCOPY (2.64 Å) | Cite: | A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analog inhibitors. Cell, 185, 2022
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5H4Y
| Crystal structure of human synaptotagmin 5 C2A domain | Descriptor: | ACETATE ION, CALCIUM ION, Synaptotagmin-5 | Authors: | Qiu, X, Gao, Y, Teng, M, Niu, L. | Deposit date: | 2016-11-02 | Release date: | 2016-11-30 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural analysis of Ca(2+)-binding pocket of synaptotagmin 5 C2A domain Int. J. Biol. Macromol., 95, 2017
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5JWB
| Structure of NDH2 from plasmodium falciparum in complex with NADH | Descriptor: | 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, ACETATE ION, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Yu, Y, Li, X.L. | Deposit date: | 2016-05-12 | Release date: | 2017-03-29 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Target Elucidation by Cocrystal Structures of NADH-Ubiquinone Oxidoreductase of Plasmodium falciparum (PfNDH2) with Small Molecule To Eliminate Drug-Resistant Malaria J. Med. Chem., 60, 2017
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7FCC
| IL-1RAcPb TIR domain | Descriptor: | Isoform 4 of Interleukin-1 receptor accessory protein | Authors: | Wang, X, Zhou, J. | Deposit date: | 2021-07-14 | Release date: | 2022-07-20 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.144 Å) | Cite: | Structural basis of the IL-1 receptor TIR domain-mediated IL-1 signaling Iscience, 25, 2022
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7FCJ
| Zebrafish SIGIRR TIR domain mutant - C299S | Descriptor: | SIGIRR protein | Authors: | Wang, X, Zhou, J. | Deposit date: | 2021-07-15 | Release date: | 2022-07-20 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Structural basis of the IL-1 receptor TIR domain-mediated IL-1 signaling Iscience, 25, 2022
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7FCL
| Zebrafish SIGIRR TIR domain | Descriptor: | SIGIRR protein | Authors: | Wang, X, Zhou, J. | Deposit date: | 2021-07-15 | Release date: | 2022-07-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.04 Å) | Cite: | Structural basis of the IL-1 receptor TIR domain-mediated IL-1 signaling Iscience, 25, 2022
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7FCH
| IL-18Rbeta TIR domain | Descriptor: | Interleukin-18 receptor accessory protein | Authors: | Wang, X, Zhou, J. | Deposit date: | 2021-07-14 | Release date: | 2022-07-20 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.883 Å) | Cite: | Structural basis of the IL-1 receptor TIR domain-mediated IL-1 signaling Iscience, 25, 2022
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7FD3
| IL-1RAPL2 TIR domain | Descriptor: | X-linked interleukin-1 receptor accessory protein-like 2 | Authors: | Wang, X, Zhou, J. | Deposit date: | 2021-07-15 | Release date: | 2022-07-20 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.99 Å) | Cite: | Structural basis of the IL-1 receptor TIR domain-mediated IL-1 signaling Iscience, 25, 2022
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7X2M
| Crystal structure of nanobody 1-2C7 with SARS-CoV-2 RBD | Descriptor: | 1-2C7, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-D-mannopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1 | Authors: | Wang, X.Q, Zhang, L.Q, Ren, Y.F, Li, M.X. | Deposit date: | 2022-02-25 | Release date: | 2022-12-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Broadly neutralizing and protective nanobodies against SARS-CoV-2 Omicron subvariants BA.1, BA.2, and BA.4/5 and diverse sarbecoviruses. Nat Commun, 13, 2022
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