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5JWA
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the structure of malaria PfNDH2
分子名称: ACETATE ION, FLAVIN-ADENINE DINUCLEOTIDE, FRAGMENT OF TRITON X-100, ...
著者Yu, Y, Yang, Y.Q, Li, X.L, Yu, J, Ge, J.P, Li, J, Rao, Y, Yang, M.J.
登録日2016-05-11
公開日2017-03-22
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.162 Å)
主引用文献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
7WHB
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SARS-CoV-2 spike in complex with the ZB8 neutralizing antibody Fab (3U)
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, Spike glycoprotein, ...
著者Zeng, J.W, Ge, J.W, Wang, X.Q.
登録日2021-12-30
公開日2023-01-18
最終更新日2023-09-06
実験手法ELECTRON MICROSCOPY (2.67 Å)
主引用文献SARS-CoV-2 hijacks neutralizing dimeric IgA for nasal infection and injury in Syrian hamsters 1 .
Emerg Microbes Infect, 12, 2023
7WHD
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SARS-CoV-2 spike in complex with the ZB8 neutralizing antibody Fab (2u1d)
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, Spike glycoprotein, ...
著者Zeng, J.W, Wang, X.W, Ge, J.W, Wang, Z.Y.
登録日2021-12-30
公開日2023-01-18
最終更新日2023-09-06
実験手法ELECTRON MICROSCOPY (2.65 Å)
主引用文献SARS-CoV-2 hijacks neutralizing dimeric IgA for nasal infection and injury in Syrian hamsters 1 .
Emerg Microbes Infect, 12, 2023
6V9C
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BU of 6v9c by Molmil
Crystal structure of FGFR4 kinase domain in complex with covalent inhibitor
分子名称: 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
著者Liu, J, Liu, H.
登録日2019-12-13
公開日2020-03-25
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery of Selective, Covalent FGFR4 Inhibitors with Antitumor Activity in Models of Hepatocellular Carcinoma.
Acs Med.Chem.Lett., 11, 2020
7E8M
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BU of 7e8m by Molmil
Crystal structure of SARS-CoV-2 antibody P2C-1F11 with mutated RBD
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody P2C-1F11 heavy chain, ...
著者Wang, X.Q, Zhang, L.Q, Ge, J.W, Wang, R.K, Lan, J.
登録日2021-03-02
公開日2021-05-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Analysis of SARS-CoV-2 variant mutations reveals neutralization escape mechanisms and the ability to use ACE2 receptors from additional species.
Immunity, 54, 2021
7FC3
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BU of 7fc3 by Molmil
structure of NL63 receptor-binding domain complexed with horse ACE2
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, Angiotensin-converting enzyme, ...
著者Wang, X.Q, Ge, J.W, Lan, J.
登録日2021-07-13
公開日2021-09-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.19 Å)
主引用文献Structural insights into the binding of SARS-CoV-2, SARS-CoV, and hCoV-NL63 spike receptor-binding domain to horse ACE2.
Structure, 30, 2022
7FC5
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Crystal structure of SARS-CoV-2 RBD and horse ACE2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme, Spike protein S1
著者Wang, X.Q, Lan, J, Ge, J.W.
登録日2021-07-13
公開日2022-06-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.894 Å)
主引用文献Structural insights into the binding of SARS-CoV-2, SARS-CoV, and hCoV-NL63 spike receptor-binding domain to horse ACE2.
Structure, 30, 2022
7FC6
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Crystal structure of SARS-CoV RBD and horse ACE2
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, Angiotensin-converting enzyme, ...
著者Wang, X.Q, Lan, J, Ge, J.W.
登録日2021-07-13
公開日2022-07-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.655 Å)
主引用文献Structural insights into the binding of SARS-CoV-2, SARS-CoV, and hCoV-NL63 spike receptor-binding domain to horse ACE2.
Structure, 30, 2022
5JWC
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BU of 5jwc by Molmil
Structure of NDH2 from plasmodium falciparum in complex with RYL-552
分子名称: 5-fluoro-3-methyl-2-{4-[4-(trifluoromethoxy)benzyl]phenyl}quinolin-4(1H)-one, FLAVIN-ADENINE DINUCLEOTIDE, FRAGMENT OF TRITON X-100, ...
著者Yu, Y.
登録日2016-05-12
公開日2017-03-22
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.051 Å)
主引用文献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
5JWB
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BU of 5jwb by Molmil
Structure of NDH2 from plasmodium falciparum in complex with NADH
分子名称: 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, ACETATE ION, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Yu, Y, Li, X.L.
登録日2016-05-12
公開日2017-03-29
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献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
8HB9
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BU of 8hb9 by Molmil
Crystal Structure of Human IDH1 R132H Mutant in Complex with NADPH and Compound IHMT-IDH1-053
分子名称: DI(HYDROXYETHYL)ETHER, GLYCEROL, Isocitrate dehydrogenase [NADP] cytoplasmic, ...
著者Guo, G, Wang, B, Liu, J, Liu, Q.
登録日2022-10-27
公開日2023-05-24
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure-based discovery of IHMT-IDH1-053 as a potent irreversible IDH1 mutant selective inhibitor.
Eur.J.Med.Chem., 256, 2023
8GWE
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BU of 8gwe by Molmil
SARS-CoV-2 E-RTC complex with RNA-nsp9 and GMPPNP
分子名称: Helicase nsp13, MAGNESIUM ION, Non-structural protein 8, ...
著者Yan, L.M, Rao, Z.H, Lou, Z.Y.
登録日2022-09-16
公開日2023-01-11
最終更新日2023-10-25
実験手法ELECTRON MICROSCOPY (2.66 Å)
主引用文献A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analog inhibitors.
Cell, 185, 2022
8GWB
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BU of 8gwb by Molmil
SARS-CoV-2 E-RTC complex with RNA-nsp9
分子名称: Helicase, MANGANESE (II) ION, Non-structural protein 7, ...
著者Yan, L.M, Rao, Z.H, Lou, Z.Y.
登録日2022-09-16
公開日2022-12-07
最終更新日2023-10-25
実験手法ELECTRON MICROSCOPY (2.75 Å)
主引用文献A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analog inhibitors.
Cell, 185, 2022
8GWF
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BU of 8gwf by Molmil
A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analogue inhibitors
分子名称: GUANOSINE-5'-TRIPHOSPHATE, Helicase, Non-structural protein 7, ...
著者Yan, L.Y, Huang, Y.C, Rao, Z.H, Lou, Z.Y.
登録日2022-09-17
公開日2023-01-11
実験手法ELECTRON MICROSCOPY (3.39 Å)
主引用文献A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analog inhibitors.
Cell, 185, 2022
8GW1
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BU of 8gw1 by Molmil
A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analogue inhibitors
分子名称: Helicase, MANGANESE (II) ION, Non-structural protein 7, ...
著者Yan, L, Rao, Z, Lou, Z.
登録日2022-09-16
公開日2023-10-25
最終更新日2024-01-24
実験手法ELECTRON MICROSCOPY (3.31 Å)
主引用文献A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analog inhibitors.
Cell, 185, 2022
8GWM
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BU of 8gwm by Molmil
SARS-CoV-2 E-RTC bound with MMP-nsp9 and GMPPNP
分子名称: 2'-deoxy-2'-fluoro-2'-methyluridine 5'-(trihydrogen diphosphate), Helicase, Non-structural protein 7, ...
著者Yan, L.M, Rao, Z.H, Lou, Z.Y.
登録日2022-09-17
公開日2024-02-28
実験手法ELECTRON MICROSCOPY (2.64 Å)
主引用文献A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analog inhibitors.
Cell, 185, 2022
7WH8
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BU of 7wh8 by Molmil
SARS-CoV-2 spike in complex with the ZB8 neutralizing antibody Fab (focused refinement on Fab-RBD)
分子名称: Spike glycoprotein, antibody ZB8 heavy chain, antibody ZB8 light chain
著者Zeng, J.W.
登録日2021-12-30
公開日2023-01-18
最終更新日2023-09-06
実験手法ELECTRON MICROSCOPY (3.11 Å)
主引用文献SARS-CoV-2 hijacks neutralizing dimeric IgA for nasal infection and injury in Syrian hamsters 1 .
Emerg Microbes Infect, 12, 2023
7X2L
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BU of 7x2l by Molmil
Crystal structure of nanobody 3-2A2-4 with SARS-CoV-2 RBD
分子名称: Nanobody 3-2A2-4, Spike protein S1, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose
著者Wang, X.Q, Zhang, L.Q, Ren, Y.F, Li, M.X.
登録日2022-02-25
公開日2022-12-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献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
7X2K
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BU of 7x2k by Molmil
Crystal structure of nanobody Nb70 with antibody 1F11 fab and SARS-CoV-2 RBD
分子名称: 1F11-H, 1F11-L, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Wang, X.Q, Zhang, L.Q, Ren, Y.F, Li, M.X.
登録日2022-02-25
公開日2022-12-21
最終更新日2023-06-28
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献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
7X2J
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BU of 7x2j by Molmil
Crystal structure of nanobody Nb70 with SARS-CoV RBD
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Nb70, Spike protein S1
著者Wang, X.Q, Zhang, L.Q, Ren, Y.F, Li, M.X.
登録日2022-02-25
公開日2022-12-21
最終更新日2023-06-28
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献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
7X2M
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BU of 7x2m by Molmil
Crystal structure of nanobody 1-2C7 with SARS-CoV-2 RBD
分子名称: 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
著者Wang, X.Q, Zhang, L.Q, Ren, Y.F, Li, M.X.
登録日2022-02-25
公開日2022-12-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献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
6M71
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BU of 6m71 by Molmil
SARS-Cov-2 RNA-dependent RNA polymerase in complex with cofactors
分子名称: Non-structural protein 7, Non-structural protein 8, RNA-directed RNA polymerase
著者Gao, Y, Yan, L, Huang, Y, Liu, F, Cao, L, Wang, T, Wang, Q, Lou, Z, Rao, Z.
登録日2020-03-16
公開日2020-04-01
最終更新日2021-03-10
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Structure of the RNA-dependent RNA polymerase from COVID-19 virus.
Science, 368, 2020
5H4Y
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BU of 5h4y by Molmil
Crystal structure of human synaptotagmin 5 C2A domain
分子名称: ACETATE ION, CALCIUM ION, Synaptotagmin-5
著者Qiu, X, Gao, Y, Teng, M, Niu, L.
登録日2016-11-02
公開日2016-11-30
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural analysis of Ca(2+)-binding pocket of synaptotagmin 5 C2A domain
Int. J. Biol. Macromol., 95, 2017
7VKC
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BU of 7vkc by Molmil
Crystal structure of a bacterial Ser/Thr kinase
分子名称: HipA_C domain-containing protein
著者Zhen, X, Ouyang, S.Y.
登録日2021-09-29
公開日2022-06-29
最終更新日2022-08-03
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献Molecular mechanism of toxin neutralization in the HipBST toxin-antitoxin system of Legionella pneumophila.
Nat Commun, 13, 2022
7VKB
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BU of 7vkb by Molmil
Crystal structure of the a bacterial kinase complex
分子名称: DI(HYDROXYETHYL)ETHER, HipA (Persistence to inhibition of murein or DNA biosynthesis), HipA_C domain-containing protein, ...
著者Zhen, X, Ouyang, S.Y.
登録日2021-09-29
公開日2022-06-29
最終更新日2022-08-03
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Molecular mechanism of toxin neutralization in the HipBST toxin-antitoxin system of Legionella pneumophila.
Nat Commun, 13, 2022

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