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4UT6
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BU of 4ut6 by Molmil
Crystal structure of dengue 2 virus envelope glycoprotein in complex with the Fab fragment of the broadly neutralizing human antibody EDE2 B7
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, BROADLY NEUTRALIZING HUMAN ANTIBODY EDE2, BROADLY NEUTRALIZING HUMAN ANTIBODY EDE2 B7, ...
著者Rouvinski, A, Guardado-Calvo, P, Barba-Spaeth, G, Duquerroy, S, Vaney, M.C, Rey, F.A.
登録日2014-07-18
公開日2015-01-28
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Recognition Determinants of Broadly Neutralizing Human Antibodies Against Dengue Viruses.
Nature, 520, 2015
4UTA
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BU of 4uta by Molmil
Crystal structure of dengue 2 virus envelope glycoprotein in complex with the Fab fragment of the broadly neutralizing human antibody EDE1 C8
分子名称: BROADLY NEUTRALIZING HUMAN ANTIBODY EDE1 C8 HEAVY CHAIN, BROADLY NEUTRALIZING HUMAN ANTIBODY EDE1 C8 LIGHT CHAIN, ENVELOPE GLYCOPROTEIN E, ...
著者Rouvinski, A, Guardado-Calvo, P, Barba-Spaeth, G, Duquerroy, S, Vaney, M.C, Rey, F.A.
登録日2014-07-18
公開日2015-01-28
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Recognition Determinants of Broadly Neutralizing Human Antibodies Against Dengue Viruses.
Nature, 520, 2015
4PLK
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BU of 4plk by Molmil
Hepatitis E Virus E2s domain (Genotype I) in complex with a neutralizing antibody 8G12
分子名称: 8G12 heavy chain, 8G12 light chain, Capsid protein
著者Tang, X.H, Li, S.W, Sivaraman, J.
登録日2014-05-18
公開日2015-04-08
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (4 Å)
主引用文献Structural basis for the neutralization of hepatitis E virus by a cross-genotype antibody
Cell Res., 25, 2015
4PNZ
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BU of 4pnz by Molmil
Human dipeptidyl peptidase IV/CD26 in complex with the long-acting inhibitor Omarigliptin (MK-3102)
分子名称: (2R,3S,5R)-5-[2-(methylsulfonyl)-2,6-dihydropyrrolo[3,4-c]pyrazol-5(4H)-yl]-2-(2,4,5-trifluorophenyl)tetrahydro-2H-pyran-3-amine, 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Scapin, G, Yan, Y.
登録日2014-02-22
公開日2014-04-09
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Omarigliptin (MK-3102): A Novel Long-Acting DPP-4 Inhibitor for Once-Weekly Treatment of Type 2 Diabetes.
J.Med.Chem., 57, 2014
4PLJ
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BU of 4plj by Molmil
Hepatitis E Virus E2s domain (Genotype IV) in complex with a neutralizing antibody 8G12
分子名称: 8G12 heavy chain, 8G12 light chain, Capsid protein
著者Tang, X.H, Li, S.W, Sivaraman, J.
登録日2014-05-18
公開日2015-04-15
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural basis for the neutralization of hepatitis E virus by a cross-genotype antibody
Cell Res., 25, 2015
8ZUB
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BU of 8zub by Molmil
The Crystal structure of mol075 bound to the main protease (3CLpro/Mpro) of SARS-CoV-2
分子名称: 3C-like proteinase, 6-[(6-chloranyl-2-pentyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]pyrimidine-2,4-dione
著者Yan, M, Zhang, H.
登録日2024-06-08
公開日2025-06-11
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Development of pyrimidone derivatives as nonpeptidic and noncovalent 3-chymotrypsin-like protease (3CL pro ) inhibitors with anti-coronavirus activities.
Bioorg.Chem., 154, 2025
8ZUC
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BU of 8zuc by Molmil
The Crystal structure of mol080 bound to the main protease (3CLpro/Mpro) of SARS-CoV-2
分子名称: 3C-like proteinase, 6-[[6-chloranyl-2-(3-methylbutyl)indazol-5-yl]amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]pyrimidine-2,4-dione
著者Yan, M, Zhang, H.
登録日2024-06-08
公開日2025-06-11
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Development of pyrimidone derivatives as nonpeptidic and noncovalent 3-chymotrypsin-like protease (3CL pro ) inhibitors with anti-coronavirus activities.
Bioorg.Chem., 154, 2025
8ZT9
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BU of 8zt9 by Molmil
The Crystal structure of mol066 bound to the main protease (3CLpro/Mpro) of SARS-CoV-2
分子名称: 3C-like proteinase, 6-[(6-chloranyl-2-propan-2-yl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]pyrimidine-2,4-dione, GLYCEROL
著者Yan, M, Zhang, H.
登録日2024-06-06
公開日2025-06-11
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Development of pyrimidone derivatives as nonpeptidic and noncovalent 3-chymotrypsin-like protease (3CL pro ) inhibitors with anti-coronavirus activities.
Bioorg.Chem., 154, 2025
3HIE
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BU of 3hie by Molmil
Structure of the membrane-binding domain of the Sec3 subunit of the Exocyst complex
分子名称: Exocyst complex component SEC3, PHOSPHATE ION
著者Baek, K, Dominguez, R.
登録日2009-05-19
公開日2010-02-23
最終更新日2024-11-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-function study of the N-terminal domain of exocyst subunit Sec3.
J.Biol.Chem., 285, 2010
3K3N
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BU of 3k3n by Molmil
Crystal structure of the catalytic core domain of human PHF8
分子名称: FE (II) ION, PHD finger protein 8
著者Yu, L, Wang, Y, Huang, S, Wang, J, Deng, Z, Wu, W, Gong, W, Chen, Z.
登録日2009-10-03
公開日2010-01-19
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural insights into a novel histone demethylase PHF8
Cell Res., 20, 2010
5GOU
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BU of 5gou by Molmil
Structure of a 16-mer protein nanocage fabricated from its 24-mer analogue by subunit interface redesign
分子名称: Ferritin heavy chain
著者Zhang, S, Zang, J, Wang, W, Wang, H, Zhao, G.
登録日2016-07-29
公開日2017-02-22
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.91 Å)
主引用文献Conversion of the Native 24-mer Ferritin Nanocage into Its Non-Native 16-mer Analogue by Insertion of Extra Amino Acid Residues.
Angew. Chem. Int. Ed. Engl., 55, 2016
6VPX
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BU of 6vpx by Molmil
Nanodisc of full-length HIV-1 Envelope glycoprotein clone AMC011 in complex with one PGT151 Fab and three 10E8 Fabs
分子名称: (2R)-3-(phosphonooxy)propane-1,2-diyl dihexanoate, 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Rantalainen, K, Ward, A.B.W.
登録日2020-02-04
公開日2020-04-22
最終更新日2024-11-20
実験手法ELECTRON MICROSCOPY (5 Å)
主引用文献HIV-1 Envelope and MPER Antibody Structures in Lipid Assemblies.
Cell Rep, 31, 2020
1F6W
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BU of 1f6w by Molmil
STRUCTURE OF THE CATALYTIC DOMAIN OF HUMAN BILE SALT ACTIVATED LIPASE
分子名称: BILE SALT ACTIVATED LIPASE
著者Terzyan, S, Zhang, X.
登録日2000-06-23
公開日2000-10-18
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of the catalytic domain of human bile salt activated lipase.
Protein Sci., 9, 2000
7FAT
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BU of 7fat by Molmil
Structure Determination of the RBD-NB1A7
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, nb_1A7
著者Geng, Y, Shi, Z.Z, Li, X.Y, Wang, L, Sun, Z.C, Zhang, H.W, Chen, X.C.
登録日2021-07-07
公開日2022-05-18
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Structural basis of nanobodies neutralizing SARS-CoV-2 variants
Structure, 30, 2022
5DEP
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BU of 5dep by Molmil
Structure of Pseudomonas aeruginosa LpxA in complex with UDP-GlcNAc
分子名称: Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, PHOSPHATE ION, URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE
著者Smith, E.W, Chen, Y.
登録日2015-08-25
公開日2015-09-16
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Structures of Pseudomonas aeruginosa LpxA Reveal the Basis for Its Substrate Selectivity.
Biochemistry, 54, 2015
5DG3
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BU of 5dg3 by Molmil
Structure of Pseudomonas aeruginosa LpxA in complex with UDP-3-O-(R-3-hydroxydecanoyl)-GlcNAc
分子名称: Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, PHOSPHATE ION, uridine-5'-diphosphate-3-O-(R-3-hydroxydecanoyl)-N-acetyl-D-glucosamine
著者Smith, E.W, Chen, Y.
登録日2015-08-27
公開日2015-09-16
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structures of Pseudomonas aeruginosa LpxA Reveal the Basis for Its Substrate Selectivity.
Biochemistry, 54, 2015
4ZS3
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BU of 4zs3 by Molmil
Structural complex of 5-aminofluorescein bound to the FTO protein
分子名称: 2-OXOGLUTARIC ACID, 5-amino-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid, Alpha-ketoglutarate-dependent dioxygenase FTO, ...
著者Wang, T, Hong, T, Huang, Y, Yang, C.G, Zhou, X.
登録日2015-05-13
公開日2015-11-04
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Fluorescein Derivatives as Bifunctional Molecules for the Simultaneous Inhibiting and Labeling of FTO Protein
J.Am.Chem.Soc., 137, 2015
4ZS2
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BU of 4zs2 by Molmil
Structural complex of FTO/fluorescein
分子名称: 2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-YL)-BENZOIC ACID, 2-OXOGLUTARIC ACID, Alpha-ketoglutarate-dependent dioxygenase FTO, ...
著者Wang, T, Hong, T, Huang, Y, Yang, C.G, Zhou, X.
登録日2015-05-13
公開日2015-11-04
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Fluorescein Derivatives as Bifunctional Molecules for the Simultaneous Inhibiting and Labeling of FTO Protein
J.Am.Chem.Soc., 137, 2015
6L4W
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BU of 6l4w by Molmil
Turning an asparaginyl endopeptidase into a peptide ligase
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Asparaginyl endopeptidase, ...
著者El Sahili, A, Lescar, J.
登録日2019-10-21
公開日2020-10-07
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Turning an Asparaginyl Endopeptidase into a Peptide Ligase
Acs Catalysis, 10, 2020
9Q90
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BU of 9q90 by Molmil
CryoEM structure of bacterial transcription intermediate complex mediated by activator PspF
分子名称: ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, DNA (36-MER), ...
著者Ye, F, Gao, F, Zhang, X.
登録日2025-02-26
公開日2025-04-09
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献CryoEM structure of bacterial transcription intermediate complex mediated by activator PspF
To Be Published
8HPB
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BU of 8hpb by Molmil
NMR Structure of OsCIE1-Ubox S237D mutant
分子名称: U-box domain-containing protein 12
著者Zhang, Y, Yu, C.Z, Lan, W.X.
登録日2022-12-12
公開日2023-12-20
最終更新日2024-06-12
実験手法SOLUTION NMR
主引用文献Release of a ubiquitin brake activates OsCERK1-triggered immunity in rice.
Nature, 629, 2024
8HQB
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BU of 8hqb by Molmil
NMR Structure of OsCIE1-Ubox
分子名称: U-box domain-containing protein 12
著者Zhang, Y, Yu, C.Z, Lan, W.X.
登録日2022-12-13
公開日2023-12-20
最終更新日2024-06-12
実験手法SOLUTION NMR
主引用文献Release of a ubiquitin brake activates OsCERK1-triggered immunity in rice.
Nature, 629, 2024
7RTB
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BU of 7rtb by Molmil
Peptide-19 bound to the Glucagon-Like Peptide-1 Receptor (GLP-1R)
分子名称: Glucagon-like peptide 1 receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Johnson, R.M, Danev, R, Sexton, P.M, Wootten, D.
登録日2021-08-12
公開日2021-10-06
実験手法ELECTRON MICROSCOPY (2.14 Å)
主引用文献Cryo-EM structure of the dual incretin receptor agonist, peptide-19, in complex with the glucagon-like peptide-1 receptor.
Biochem.Biophys.Res.Commun., 578, 2021
6L4Y
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BU of 6l4y by Molmil
Turning an asparaginyl endopeptidase into a peptide ligase
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Asparaginyl endopeptidase, ...
著者El Sahili, A, Lescar, J.
登録日2019-10-21
公開日2020-10-07
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Turning an Asparaginyl Endopeptidase into a Peptide Ligase
Acs Catalysis, 10, 2020
9BKM
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BU of 9bkm by Molmil
DHODH in complex with Ligand 10
分子名称: (2M,6P)-2-(2-chloro-6-fluorophenyl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-7-fluoro-4-(propan-2-yl)isoquinolin-1(2H)-one, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ...
著者Shaffer, P.L.
登録日2024-04-29
公開日2024-07-03
最終更新日2024-07-24
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Discovery of JNJ-74856665: A Novel Isoquinolinone DHODH Inhibitor for the Treatment of AML.
J.Med.Chem., 67, 2024

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件を2025-07-09に公開中

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