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7C8V
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Structure of sybody SR4 in complex with the SARS-CoV-2 S Receptor Binding domain (RBD)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Spike protein S1, ...
著者Li, T, Yao, H, Cai, H, Qin, W, Li, D.
登録日2020-06-03
公開日2020-06-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献A synthetic nanobody targeting RBD protects hamsters from SARS-CoV-2 infection.
Nat Commun, 12, 2021
7C8W
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BU of 7c8w by Molmil
Structure of sybody MR17 in complex with the SARS-CoV-2 S receptor-binding domain (RBD)
分子名称: GLYCEROL, Spike protein S1, Synthetic nanobody MR17, ...
著者Li, T, Cai, H, Yao, H, Qin, W, Li, D.
登録日2020-06-03
公開日2020-06-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.77 Å)
主引用文献A synthetic nanobody targeting RBD protects hamsters from SARS-CoV-2 infection.
Nat Commun, 12, 2021
8X55
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BA.2.86 Spike Trimer with T356K mutation (3 RBD down)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
著者Yue, C, Liu, P.
登録日2023-11-16
公開日2024-06-26
最終更新日2024-08-14
実験手法ELECTRON MICROSCOPY (3.75 Å)
主引用文献Spike N354 glycosylation augments SARS-CoV-2 fitness for human adaptation through structural plasticity.
Natl Sci Rev, 11, 2024
6NZV
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BU of 6nzv by Molmil
Crystal structure of HCV NS3/4A protease in complex with compound 12
分子名称: (1aR,5S,8S,9S,10R,22aR)-5-tert-butyl-N-[(1R,2R)-2-(difluoromethyl)-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclopropyl]-9-ethyl-14-methoxy-3,6-dioxo-1,1a,3,4,5,6,9,10,18,19,20,21,22,22a-tetradecahydro-8H-7,10-methanocyclopropa[18,19][1,10,3,6]dioxadiazacyclononadecino[11,12-b]quinoxaline-8-carboxamide, HCV NS3/4A protease, SULFATE ION, ...
著者Appleby, T.C, Taylor, J.G.
登録日2019-02-14
公開日2019-07-10
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Discovery of the pan-genotypic hepatitis C virus NS3/4A protease inhibitor voxilaprevir (GS-9857): A component of Vosevi®.
Bioorg.Med.Chem.Lett., 29, 2019
8X4Z
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BA.2.86 Spike Trimer with ins483V mutation (3 RBD down)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
著者Yue, C, Liu, P.
登録日2023-11-16
公開日2024-06-26
最終更新日2024-08-14
実験手法ELECTRON MICROSCOPY (3.49 Å)
主引用文献Spike N354 glycosylation augments SARS-CoV-2 fitness for human adaptation through structural plasticity.
Natl Sci Rev, 11, 2024
8X56
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BA.2.86 Spike Trimer with T356K mutation (1 RBD up)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
著者Yue, C, Liu, P.
登録日2023-11-16
公開日2024-06-26
最終更新日2024-08-14
実験手法ELECTRON MICROSCOPY (3.93 Å)
主引用文献Spike N354 glycosylation augments SARS-CoV-2 fitness for human adaptation through structural plasticity.
Natl Sci Rev, 11, 2024
8X50
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BA.2.86 Spike Trimer with ins483V mutation (1 RBD up)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
著者Yue, C, Liu, P.
登録日2023-11-16
公開日2024-06-26
最終更新日2024-08-14
実験手法ELECTRON MICROSCOPY (3.82 Å)
主引用文献Spike N354 glycosylation augments SARS-CoV-2 fitness for human adaptation through structural plasticity.
Natl Sci Rev, 11, 2024
8X4H
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SARS-CoV-2 JN.1 Spike
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
著者Yue, C, Liu, P.
登録日2023-11-15
公開日2024-07-03
最終更新日2024-08-14
実験手法ELECTRON MICROSCOPY (3.65 Å)
主引用文献Spike N354 glycosylation augments SARS-CoV-2 fitness for human adaptation through structural plasticity.
Natl Sci Rev, 11, 2024
8X5R
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SARS-CoV-2 BA.2.75 Spike with K356T mutation (1 RBD up)
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Yue, C, Liu, P.
登録日2023-11-17
公開日2024-07-03
最終更新日2024-08-14
実験手法ELECTRON MICROSCOPY (3.72 Å)
主引用文献Spike N354 glycosylation augments SARS-CoV-2 fitness for human adaptation through structural plasticity.
Natl Sci Rev, 11, 2024
8XUR
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BA.2.86 Spike Trimer in complex with heparan sulfate
分子名称: 2-O-sulfo-beta-L-altropyranuronic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Yue, C, Liu, P.
登録日2024-01-14
公開日2024-07-03
最終更新日2024-08-14
実験手法ELECTRON MICROSCOPY (3.85 Å)
主引用文献Spike N354 glycosylation augments SARS-CoV-2 fitness for human adaptation through structural plasticity.
Natl Sci Rev, 11, 2024
8XUT
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BU of 8xut by Molmil
XBB.1.5 Spike Trimer in complex with heparan sulfate
分子名称: 2-O-sulfo-beta-L-altropyranuronic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
著者Yue, C, Liu, P, Mao, X.
登録日2024-01-14
公開日2024-07-03
最終更新日2024-08-14
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Spike N354 glycosylation augments SARS-CoV-2 fitness for human adaptation through structural plasticity.
Natl Sci Rev, 11, 2024
8XUU
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BA.2.86-T356K Spike Trimer in complex with heparan sulfate (Local refinement)
分子名称: 2-O-sulfo-beta-L-altropyranuronic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ...
著者Yue, C, Liu, P.
登録日2024-01-14
公開日2024-07-03
最終更新日2024-08-14
実験手法ELECTRON MICROSCOPY (3.69 Å)
主引用文献Spike N354 glycosylation augments SARS-CoV-2 fitness for human adaptation through structural plasticity.
Natl Sci Rev, 11, 2024
8XUS
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BU of 8xus by Molmil
JN.1 Spike Trimer in complex with heparan sulfate
分子名称: 2-O-sulfo-beta-L-altropyranuronic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
著者Yue, C, Liu, P.
登録日2024-01-14
公開日2024-07-03
最終更新日2024-08-14
実験手法ELECTRON MICROSCOPY (3.18 Å)
主引用文献Spike N354 glycosylation augments SARS-CoV-2 fitness for human adaptation through structural plasticity.
Natl Sci Rev, 11, 2024
8X5Q
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BU of 8x5q by Molmil
SARS-CoV-2 BA.2.75 Spike with K356T mutation (3 RBD down)
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Yue, C, Liu, P.
登録日2023-11-17
公開日2024-07-03
最終更新日2024-08-14
実験手法ELECTRON MICROSCOPY (3.47 Å)
主引用文献Spike N354 glycosylation augments SARS-CoV-2 fitness for human adaptation through structural plasticity.
Natl Sci Rev, 11, 2024
4LN0
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BU of 4ln0 by Molmil
Crystal structure of the VGLL4-TEAD4 complex
分子名称: DI(HYDROXYETHYL)ETHER, GLYCEROL, Transcription cofactor vestigial-like protein 4, ...
著者Wang, H, Shi, Z, Zhou, Z.
登録日2013-07-11
公開日2014-02-26
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.896 Å)
主引用文献A Peptide Mimicking VGLL4 Function Acts as a YAP Antagonist Therapy against Gastric Cancer.
Cancer Cell, 25, 2014
7CWS
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BU of 7cws by Molmil
SARS-CoV-2 Spike Proteins Trimer in Complex with FC05 and H014 Fabs Cocktail
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, Heavy Chain of FC05 Fab, ...
著者Wang, L, Wang, X.
登録日2020-08-31
公開日2020-12-16
最終更新日2021-01-13
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Structure-based development of human antibody cocktails against SARS-CoV-2.
Cell Res., 31, 2021
7CAN
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BU of 7can by Molmil
Structure of sybody MR17-K99Y in complex with the SARS-CoV-2 S Receptor-binding domain (RBD)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Spike protein S1, ...
著者Li, T, Yao, H, Cai, H, Qin, W, Li, D.
登録日2020-06-09
公開日2020-06-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.94 Å)
主引用文献A synthetic nanobody targeting RBD protects hamsters from SARS-CoV-2 infection.
Nat Commun, 12, 2021
5WB6
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BU of 5wb6 by Molmil
FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl [(11S)-11-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-6-fluoro-2-oxo-1,3,4,10,11,13-hexahydro-2H-5,9:15,12-di(azeno)-1,13-benzodiazacycloheptadecin-18-yl]carbamate
分子名称: 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ...
著者Sheriff, S.
登録日2017-06-28
公開日2017-08-02
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Macrocyclic factor XIa inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
7CWU
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BU of 7cwu by Molmil
SARS-CoV-2 spike proteins trimer in complex with P17 and FC05 Fabs cocktail
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Wang, X, Wang, N.
登録日2020-08-31
公開日2020-12-16
最終更新日2021-01-13
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structure-based development of human antibody cocktails against SARS-CoV-2.
Cell Res., 31, 2021
3IK3
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BU of 3ik3 by Molmil
AP24534, a Pan-BCR-ABL Inhibitor for Chronic Myeloid Leukemia, Potently Inhibits the T315I Mutant and Overcomes Mutation-Based Resistance
分子名称: 3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzam ide, Proto-oncogene tyrosine-protein kinase ABL1
著者Zhou, T.
登録日2009-08-05
公開日2009-11-03
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献AP24534, a pan-BCR-ABL inhibitor for chronic myeloid leukemia, potently inhibits the T315I mutant and overcomes mutation-based resistance.
Cancer Cell, 16, 2009
5H25
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EED in complex with PRC2 allosteric inhibitor compound 11
分子名称: 5-(2-fluorophenyl)-2,3-dihydroimidazo[2,1-a]isoquinoline, Histone-lysine N-methyltransferase EZH2, Polycomb protein EED
著者Zhao, K, Zhao, M, Luo, X, Zhang, H.
登録日2016-10-14
公開日2017-01-25
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.88 Å)
主引用文献Discovery of First-in-Class, Potent, and Orally Bioavailable Embryonic Ectoderm Development (EED) Inhibitor with Robust Anticancer Efficacy
J. Med. Chem., 60, 2017
6BRR
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BU of 6brr by Molmil
Crystal structure of DNMT3A (R836A)-DNMT3L in complex with DNA containing two CpG sites
分子名称: DNA (25-MER), DNA (cytosine-5)-methyltransferase 3-like, DNA (cytosine-5)-methyltransferase 3A, ...
著者Zhang, Z.M, Song, J.
登録日2017-11-30
公開日2018-01-31
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.97 Å)
主引用文献Structural basis for DNMT3A-mediated de novo DNA methylation.
Nature, 554, 2018
4OCH
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BU of 4och by Molmil
Apo structure of Smr domain of MutS2 from Deinococcus radiodurans
分子名称: Endonuclease MutS2, GLYCEROL
著者Zhang, H, Zhao, Y, Xu, Q, Hua, Y.J.
登録日2014-01-09
公開日2014-06-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.4001 Å)
主引用文献Structural and functional studies of MutS2 from Deinococcus radiodurans.
Dna Repair, 21, 2014
5EOA
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BU of 5eoa by Molmil
Crystal structure of OPTN E50K mutant and TBK1 complex
分子名称: Optineurin, Serine/threonine-protein kinase TBK1
著者Li, F, Xie, X, Liu, J, Pan, L.
登録日2015-11-10
公開日2016-09-28
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.503 Å)
主引用文献Structural insights into the interaction and disease mechanism of neurodegenerative disease-associated optineurin and TBK1 proteins.
Nat Commun, 7, 2016
5EOB
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Crystal structure of CMET in complex with novel inhibitor
分子名称: 6-[bis(fluoranyl)-[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methyl]quinoline, Hepatocyte growth factor receptor
著者Liu, Q, Chen, T, Xu, Y.
登録日2015-11-10
公開日2016-10-19
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Discovery of 6-(difluoro(6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl)quinoline as a highly potent and selective c-Met inhibitor
Eur.J.Med.Chem., 116, 2016

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