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8XFZ
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BU of 8xfz by Molmil
The structure of HLA-A/L1-2
Descriptor: Beta-2-microglobulin, HLA class I heavy chain, Major capsid protein L1
Authors:Zhang, J.N, Yue, C, Liu, J.
Deposit date:2023-12-14
Release date:2024-07-10
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Uncommon P1 Anchor-featured Viral T Cell Epitope Preference within HLA-A*2601 and HLA-A*0101 Individuals.
Immunohorizons, 8, 2024
8XKC
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BU of 8xkc by Molmil
The structure of HLA-A/Pep16
Descriptor: Beta-2-microglobulin, HLA class I heavy chain, Spike protein S1
Authors:Zhang, J.N, Yue, C, Liu, J.
Deposit date:2023-12-23
Release date:2024-07-10
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Uncommon P1 Anchor-featured Viral T Cell Epitope Preference within HLA-A*2601 and HLA-A*0101 Individuals.
Immunohorizons, 8, 2024
4OI7
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BU of 4oi7 by Molmil
RAGE recognizes nucleic acids and promotes inflammatory responses to DNA
Descriptor: 1,2-ETHANEDIOL, 5'-D(*CP*AP*CP*GP*TP*TP*CP*GP*TP*AP*GP*CP*AP*TP*CP*GP*TP*TP*GP*CP*AP*G)-3', 5'-D(*CP*TP*GP*CP*AP*AP*CP*GP*AP*TP*GP*CP*TP*AP*CP*GP*AP*AP*CP*GP*TP*G)-3', ...
Authors:Jin, T, Jiang, J, Xiao, T.
Deposit date:2014-01-19
Release date:2014-04-30
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (3.104 Å)
Cite:RAGE is a nucleic acid receptor that promotes inflammatory responses to DNA.
J.Exp.Med., 210, 2013
4OI8
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BU of 4oi8 by Molmil
RAGE is a nucleic acid receptor that promotes inflammatory responses to DNA.
Descriptor: 5'-D(*CP*CP*AP*TP*GP*AP*CP*TP*GP*TP*AP*GP*GP*AP*AP*AP*CP*TP*CP*TP*AP*GP*A)-3', 5'-D(*CP*TP*CP*TP*AP*GP*AP*GP*TP*TP*TP*CP*CP*TP*AP*CP*AP*GP*TP*CP*AP*TP*G)-3', Advanced glycosylation end product-specific receptor
Authors:Jin, T, Jiang, J, Xiao, T.
Deposit date:2014-01-19
Release date:2014-04-30
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (3.101 Å)
Cite:RAGE is a nucleic acid receptor that promotes inflammatory responses to DNA.
J.Exp.Med., 210, 2013
4F58
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BU of 4f58 by Molmil
Fab structure of a neutralizing antibody L3 from an early subtype A HIV-1 infected patient
Descriptor: Heavy chain of Fab of a neutralizing antibody L3, Light chain of Fab of a neutralizing antibody L3, SULFATE ION
Authors:Pan, R.M, Kong, X.P.
Deposit date:2012-05-12
Release date:2013-03-27
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.488 Å)
Cite:Viral Escape from Neutralizing Antibodies in Early Subtype A HIV-1 Infection Drives an Increase in Autologous Neutralization Breadth.
Plos Pathog., 9, 2013
8UJY
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BU of 8ujy by Molmil
Crystal structure of human WD repeat-containing protein 5 in complex with 4-(3,5-dimethoxybenzyl)-9-(4-fluoro-2-methylphenyl)-7-((2-imino-3-methyl-2,3-dihydro-1H-imidazol-1-yl)methyl)-3,4-dihydrobenzo[f][1,4]oxazepin-5(2H)-one (compound 8)
Descriptor: (9P)-4-[(3,5-dimethoxyphenyl)methyl]-9-(4-fluoro-2-methylphenyl)-7-{[(2E)-2-imino-3-methyl-2,3-dihydro-1H-imidazol-1-yl]methyl}-3,4-dihydro-1,4-benzoxazepin-5(2H)-one, WD repeat-containing protein 5
Authors:Zhao, B, Amporndanai, K, Fesik, S.W.
Deposit date:2023-10-11
Release date:2023-12-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Structure-Based Discovery of Potent, Orally Bioavailable Benzoxazepinone-Based WD Repeat Domain 5 Inhibitors.
J.Med.Chem., 66, 2023
4F57
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BU of 4f57 by Molmil
Fab structure of a neutralizing antibody L1 from an early subtype A HIV-1 infected patient
Descriptor: GLYCEROL, Heavy chain of Fab of a neutralizing antibody L1, Light chain of Fab of a neutralizing antibody L1
Authors:Pan, R.M, Kong, X.P.
Deposit date:2012-05-12
Release date:2013-03-27
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Viral Escape from Neutralizing Antibodies in Early Subtype A HIV-1 Infection Drives an Increase in Autologous Neutralization Breadth.
Plos Pathog., 9, 2013
7U9Y
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BU of 7u9y by Molmil
WDR5 bound to 2-(3,5-dimethoxybenzyl)-7-((2-methyl-1H-imidazol-1-yl)methyl)-5-(1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)-3,4-dihydroisoquinolin-1(2H)-one
Descriptor: (5P)-2-[(3,5-dimethoxyphenyl)methyl]-7-[(2-methyl-1H-imidazol-1-yl)methyl]-5-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-3,4-dihydroisoquinolin-1(2H)-one, BENZAMIDINE, WD repeat-containing protein 5
Authors:Rietz, T.
Deposit date:2022-03-11
Release date:2022-04-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of Potent Orally Bioavailable WD Repeat Domain 5 (WDR5) Inhibitors Using a Pharmacophore-Based Optimization.
J.Med.Chem., 65, 2022
7UAS
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BU of 7uas by Molmil
Discovery of Potent Orally Bioavailable WD Repeat Domain 5 (WDR5) Inhibitors Using a Pharmacophore-Based Optimization
Descriptor: (5P)-2-[(S)-cyclopropyl(4-methylpyridin-2-yl)methyl]-5-[1-ethyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-7-[(2-methyl-1H-imidazol-1-yl)methyl]-3,4-dihydroisoquinolin-1(2H)-one, WD repeat-containing protein 5
Authors:Zhao, B.
Deposit date:2022-03-14
Release date:2022-05-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.808 Å)
Cite:Discovery of Potent Orally Bioavailable WD Repeat Domain 5 (WDR5) Inhibitors Using a Pharmacophore-Based Optimization.
J.Med.Chem., 65, 2022
8GRQ
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BU of 8grq by Molmil
Cryo-EM structure of BRCA1/BARD1 bound to H2AK127-UbcH5c-Ub nucleosome
Descriptor: BRCA1-associated RING domain protein 1, Breast cancer type 1 susceptibility protein, DNA (147-MER), ...
Authors:Ai, H.S, Zebin, T, Zhiheng, D, Jiakun, T, Liying, Z, Jia-Bin, L, Man, P, Liu, L.
Deposit date:2022-09-02
Release date:2023-04-12
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.87 Å)
Cite:Synthetic E2-Ub-nucleosome conjugates for studying nucleosome ubiquitination.
Chem, 2023
8GRM
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BU of 8grm by Molmil
Cryo-EM structure of PRC1 bound to H2AK119-UbcH5b-Ub nucleosome
Descriptor: COMMD3 protein, DNA (144-MER), DNA (145-MER), ...
Authors:Ai, H.S, Zebin, T, Zhihend, D, Jiakun, T, Liying, Z, Jia-Bin, L, Man, P, Liu, L.
Deposit date:2022-09-02
Release date:2023-04-12
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.05 Å)
Cite:Synthetic E2-Ub-nucleosome conjugates for studying nucleosome ubiquitination.
Chem, 2023
7E23
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BU of 7e23 by Molmil
SARS-CoV-2 spike in complex with the CA521 neutralizing antibody Fab (focused refinement on Fab-RBD)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CA521 Heavy Chain, CA521 Light Chain, ...
Authors:Liu, C, Song, D, Dou, C.
Deposit date:2021-02-04
Release date:2021-05-05
Last modified:2024-10-30
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structure and function analysis of a potent human neutralizing antibody CA521 FALA against SARS-CoV-2.
Commun Biol, 4, 2021
6WM1
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BU of 6wm1 by Molmil
Crystal structure of the Grb2 SH2 domain in complex with a tripeptide: Ac-pY-Ac6c-N-phenylpropyl
Descriptor: ACE-PTR-02K-ASN-PRA, CALCIUM ION, CHLORIDE ION, ...
Authors:Martin, S.F, Clements, J.H.
Deposit date:2020-04-20
Release date:2020-09-02
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Some thermodynamic effects of varying nonpolar surfaces in protein-ligand interactions.
Eur.J.Med.Chem., 208, 2020
6WO2
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BU of 6wo2 by Molmil
Crystal Structure of the Grb2 SH2 Domain in Complex with a Tripeptide: Ac-pY-Ac6c-N-isohexyl
Descriptor: ACE-PTR-02K-ASN-U67, CALCIUM ION, Growth factor receptor-bound protein 2, ...
Authors:Martin, S.F, Clements, J.H.
Deposit date:2020-04-24
Release date:2020-09-02
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Some thermodynamic effects of varying nonpolar surfaces in protein-ligand interactions.
Eur.J.Med.Chem., 208, 2020
2ZUW
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BU of 2zuw by Molmil
Crystal structure of Galacto-N-biose/Lacto-N-biose I phosphorylase in complex with GlcNAc and sulfate
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose, GLYCEROL, Lacto-N-biose phosphorylase, ...
Authors:Hidaka, M, Nishimoto, M, Kitaoka, M, Wakagi, T, Shoun, H, Fushinobu, S.
Deposit date:2008-10-28
Release date:2008-12-30
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:The crystal structure of galacto-N-biose/lacto-N-biose I phosphorylase: A large deformation of a tim barrel scaffold
J.Biol.Chem., 284, 2009
2ZUT
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BU of 2zut by Molmil
Crystal structure of Galacto-N-biose/Lacto-N-biose I phosphorylase in complex with GalNAc
Descriptor: 2-acetamido-2-deoxy-alpha-D-galactopyranose, GLYCEROL, Lacto-N-biose phosphorylase, ...
Authors:Hidaka, M, Nishimoto, M, Kitaoka, M, Wakagi, T, Shoun, H, Fushinobu, S.
Deposit date:2008-10-28
Release date:2008-12-30
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The crystal structure of galacto-N-biose/lacto-N-biose I phosphorylase: A large deformation of a tim barrel scaffold
J.Biol.Chem., 284, 2009
2ZUS
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BU of 2zus by Molmil
Crystal structure of Galacto-N-biose/Lacto-N-biose I phosphorylase
Descriptor: Lacto-N-biose phosphorylase, MAGNESIUM ION
Authors:Hidaka, M, Nishimoto, M, Kitaoka, M, Wakagi, T, Shoun, H, Fushinobu, S.
Deposit date:2008-10-28
Release date:2008-12-30
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:The crystal structure of galacto-N-biose/lacto-N-biose I phosphorylase: A large deformation of a tim barrel scaffold
J.Biol.Chem., 284, 2009
2ZUV
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BU of 2zuv by Molmil
Crystal structure of Galacto-N-biose/Lacto-N-biose I phosphorylase in complex with GlcNAc, Ethylene glycol, and nitrate
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-alpha-D-glucopyranose, Lacto-N-biose phosphorylase, ...
Authors:Hidaka, M, Nishimoto, M, Kitaoka, M, Wakagi, T, Shoun, H, Fushinobu, S.
Deposit date:2008-10-28
Release date:2008-12-30
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:The crystal structure of galacto-N-biose/lacto-N-biose I phosphorylase: A large deformation of a tim barrel scaffold
J.Biol.Chem., 284, 2009
2ZUU
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BU of 2zuu by Molmil
Crystal structure of Galacto-N-biose/Lacto-N-biose I phosphorylase in complex with GlcNAc
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose, GLYCEROL, Lacto-N-biose phosphorylase, ...
Authors:Hidaka, M, Nishimoto, M, Kitaoka, M, Wakagi, T, Shoun, H, Fushinobu, S.
Deposit date:2008-10-28
Release date:2008-12-30
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The crystal structure of galacto-N-biose/lacto-N-biose I phosphorylase: A large deformation of a tim barrel scaffold
J.Biol.Chem., 284, 2009
7ZRB
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BU of 7zrb by Molmil
Crystal structure of Beta-catenin Armadillo repeats domain in complex with the inhibitor RS6452
Descriptor: 4-bromanyl-~{N}-(3-pyridin-2-ylphenyl)benzenesulfonamide, Catenin beta-1
Authors:Capelli, D, Pochetti, G, Montanari, R.
Deposit date:2022-05-04
Release date:2023-05-17
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (3.434 Å)
Cite:Novel N -(Heterocyclylphenyl)benzensulfonamide Sharing an Unreported Binding Site with T-Cell Factor 4 at the beta-Catenin Armadillo Repeats Domain as an Anticancer Agent.
Acs Pharmacol Transl Sci, 6, 2023
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数据于2024-10-30公开中

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