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3SE8
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BU of 3se8 by Molmil
Crystal structure of broadly and potently neutralizing antibody VRC03 in complex with HIV-1 gp120
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Kwong, P.D, Zhou, T.
Deposit date:2011-06-10
Release date:2011-08-10
Last modified:2021-04-07
Method:X-RAY DIFFRACTION (1.895 Å)
Cite:Focused evolution of HIV-1 neutralizing antibodies revealed by structures and deep sequencing.
Science, 333, 2011
8HRD
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BU of 8hrd by Molmil
Crystal structure of the receptor binding domain of SARS-CoV-2 Delta variant in complex with IMCAS74 Fab and W14 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, IMCAS74 Fab heavy chain, IMCAS74 Fab light chain, ...
Authors:Zhao, R.C, Wu, L.L, Han, P.
Deposit date:2022-12-15
Release date:2023-12-20
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.86 Å)
Cite:Defining a de novo non-RBM antibody as RBD-8 and its synergistic rescue of immune-evaded antibodies to neutralize Omicron SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
4GVJ
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BU of 4gvj by Molmil
Tyk2 (JH1) in complex with adenosine di-phosphate
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Non-receptor tyrosine-protein kinase TYK2
Authors:Liang, J, Abbema, A.V, Bao, L, Barrett, K, Beresini, M, Berezhkovskiy, L, Blair, W, Chang, C, Driscoll, J, Eigenbrot, C, Ghilardi, N, Gibbons, P, Halladay, J, Johnson, A, Kohli, P.B, Lai, Y, Liimatta, M, Mantik, P, Menghrajani, K, Murray, J, Sambrone, A, Shao, Y, Shia, S, Shin, Y, Smith, J, Sohn, S, Stanley, M, Tsui, V, Ultsch, M, Wu, L, Zhang, B, Magnuson, S.
Deposit date:2012-08-30
Release date:2013-08-14
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Lead identification of novel and selective TYK2 inhibitors.
Eur.J.Med.Chem., 67, 2013
4WVL
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BU of 4wvl by Molmil
Structure-Guided DOT1L Probe Optimization by Label-Free Ligand Displacement
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Histone-lysine N-methyltransferase, ...
Authors:Xu, X, Dhe-Paganon, S, Blacklow, S.
Deposit date:2014-11-06
Release date:2014-12-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Structure-Guided DOT1L Probe Optimization by Label-Free Ligand Displacement.
Acs Chem.Biol., 10, 2015
6KPF
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BU of 6kpf by Molmil
Cryo-EM structure of a class A GPCR with G protein complex
Descriptor: 7-[(6aR,9R,10aR)-1-Hydroxy-9-(hydroxymethyl)-6,6-dimethyl-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chromen-3-yl]- 7-methyloctanenitrile, Cannabinoid receptor 2, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Li, X.T, Hua, T, Wu, L.J, Makriyannis, A, Shen, L, Wang, Y.X, Liu, Z.J.
Deposit date:2019-08-15
Release date:2020-02-12
Last modified:2022-04-27
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Activation and Signaling Mechanism Revealed by Cannabinoid Receptor-GiComplex Structures.
Cell, 180, 2020
6KPG
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BU of 6kpg by Molmil
Cryo-EM structure of CB1-G protein complex
Descriptor: (6~{a}~{R},9~{R},10~{a}~{R})-9-(hydroxymethyl)-3-(8-isothiocyanato-2-methyl-octan-2-yl)-6,6-dimethyl-6~{a},7,8,9,10,10~{a}-hexahydrobenzo[c]chromen-1-ol, Cannabinoid receptor 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Hua, T, Li, X.T, Wu, L.J, Makriyannis, A, Wang, Y.X, Shen, L, Liu, Z.J.
Deposit date:2019-08-15
Release date:2020-02-12
Last modified:2020-03-11
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Activation and Signaling Mechanism Revealed by Cannabinoid Receptor-GiComplex Structures.
Cell, 180, 2020
6KPC
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BU of 6kpc by Molmil
Crystal structure of an agonist bound GPCR
Descriptor: 7-[(6aR,9R,10aR)-1-Hydroxy-9-(hydroxymethyl)-6,6-dimethyl-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chromen-3-yl]- 7-methyloctanenitrile, Cannabinoid receptor 2,Endolysin
Authors:Li, X.T, Hua, T, Wu, L.J, Makriyannis, A, Wu, M, Liu, Z.J.
Deposit date:2019-08-15
Release date:2020-02-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Activation and Signaling Mechanism Revealed by Cannabinoid Receptor-GiComplex Structures.
Cell, 180, 2020
7VAH
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BU of 7vah by Molmil
The crystal structure of COVID-19 main protease in H41A mutation
Descriptor: 3C-like proteinase
Authors:Liu, X, Zhao, Y, Yang, H, Rao, Z.
Deposit date:2021-08-29
Release date:2022-04-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.491 Å)
Cite:Structural basis for replicase polyprotein cleavage and substrate specificity of main protease from SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 119, 2022
4Y21
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BU of 4y21 by Molmil
Crystal Structure of Munc13-1 MUN domain
Descriptor: Protein unc-13 homolog A
Authors:Yang, X.Y, Wang, S, Sheng, Y, Zhang, M, Zou, W.J, Wu, L.J, Kang, L.J, Rizo, J, Zhang, R.G, Xu, T, Ma, C.
Deposit date:2015-02-09
Release date:2015-06-10
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Syntaxin opening by the MUN domain underlies the function of Munc13 in synaptic-vesicle priming.
Nat.Struct.Mol.Biol., 22, 2015
8JHB
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BU of 8jhb by Molmil
FZD6 Gs complex
Descriptor: Frizzled-6, 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, ...
Authors:Xu, F, Zhang, Z.
Deposit date:2023-05-23
Release date:2024-01-17
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:A framework for Frizzled-G protein coupling and implications to the PCP signaling pathways.
Cell Discov, 10, 2024
8JHI
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BU of 8jhi by Molmil
FZD3-Gs complex
Descriptor: Frizzled-3, 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, ...
Authors:Xu, F, Zhang, Z.
Deposit date:2023-05-23
Release date:2024-01-17
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:A framework for Frizzled-G protein coupling and implications to the PCP signaling pathways.
Cell Discov, 10, 2024
8JH7
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BU of 8jh7 by Molmil
FZD6 in inactive state
Descriptor: Frizzled-6,Soluble cytochrome b562, anti-BRIL Fab Heavy chain, anti-BRIL Fab Light chain, ...
Authors:Xu, F, Zhang, Z.
Deposit date:2023-05-22
Release date:2024-01-17
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:A framework for Frizzled-G protein coupling and implications to the PCP signaling pathways.
Cell Discov, 10, 2024
8JHC
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BU of 8jhc by Molmil
FZD3 in inactive state
Descriptor: Frizzled-3,Soluble cytochrome b562, anti-BRIL Fab Heavy chain, anti-BRIL Fab Light chain, ...
Authors:Xu, F, Zhang, Z.
Deposit date:2023-05-23
Release date:2024-01-17
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:A framework for Frizzled-G protein coupling and implications to the PCP signaling pathways.
Cell Discov, 10, 2024
8J9N
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BU of 8j9n by Molmil
Gq bound FZD1 in ligand-free state
Descriptor: Frizzled-1, 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, ...
Authors:Lin, X, Xu, F.
Deposit date:2023-05-04
Release date:2024-01-17
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:A framework for Frizzled-G protein coupling and implications to the PCP signaling pathways.
Cell Discov, 10, 2024
8J9O
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BU of 8j9o by Molmil
Cryo-EM structure of inactive FZD1
Descriptor: Frizzled-1,Soluble cytochrome b562, anti-BRIL Fab Heavy Chain, anti-BRIL Fab Light Chain, ...
Authors:Lin, X, Xu, F.
Deposit date:2023-05-04
Release date:2024-01-17
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:A framework for Frizzled-G protein coupling and implications to the PCP signaling pathways.
Cell Discov, 10, 2024
8KFX
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BU of 8kfx by Molmil
Gi bound CCR8 complex with nonpeptide agonist LMD-009
Descriptor: 8-[[3-(2-methoxyphenoxy)phenyl]methyl]-1-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decan-4-one, C-C chemokine receptor type 8,Fusion protein, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Jiang, S, Lin, X, Wu, L.J, Xu, F.
Deposit date:2023-08-16
Release date:2024-02-07
Last modified:2024-02-14
Method:ELECTRON MICROSCOPY (2.96 Å)
Cite:Unveiling the structural mechanisms of nonpeptide ligand recognition and activation in human chemokine receptor CCR8.
Sci Adv, 10, 2024
8KFZ
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BU of 8kfz by Molmil
Gi bound CCR8 in ligand free state
Descriptor: C-C chemokine receptor type 8,LgBiT fusion protein,Recombinant Human Rhinovirus, 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, ...
Authors:Jiang, S, Lin, X, Wu, L.J, Xu, F.
Deposit date:2023-08-16
Release date:2024-02-07
Last modified:2024-02-14
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Unveiling the structural mechanisms of nonpeptide ligand recognition and activation in human chemokine receptor CCR8.
Sci Adv, 10, 2024
8KFY
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BU of 8kfy by Molmil
Gi bound CCR8 complex with nonpeptide agonist ZK 756326
Descriptor: 2-[2-[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]ethoxy]ethanol, C-C chemokine receptor type 8,Fusion protein, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Jiang, S, Lin, X, Wu, L.J, Xu, F.
Deposit date:2023-08-16
Release date:2024-02-07
Last modified:2024-02-14
Method:ELECTRON MICROSCOPY (3.06 Å)
Cite:Unveiling the structural mechanisms of nonpeptide ligand recognition and activation in human chemokine receptor CCR8.
Sci Adv, 10, 2024
7V97
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BU of 7v97 by Molmil
Arsenic-bound p53 DNA-binding domain mutant V272M
Descriptor: ARSENIC, Cellular tumor antigen p53, ZINC ION
Authors:Lu, M, Xing, Y.F, Wang, Z.Y, Ni, Y, Song, H.X.
Deposit date:2021-08-24
Release date:2022-08-31
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Diverse rescue potencies of p53 mutations to ATO are predetermined by intrinsic mutational properties.
Sci Transl Med, 15, 2023
7P2Z
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BU of 7p2z by Molmil
Crystal structure of human lysosomal acid-alpha-glucosidase, GAA, in complex with cyclosulfamidate 4
Descriptor: (3~{a}~{R},4~{S},5~{S},6~{S},7~{R},7~{a}~{S})-7-(hydroxymethyl)-2,2-bis(oxidanylidene)-3~{a},4,5,6,7,7~{a}-hexahydro-3~{H}-benzo[d][1,2,3]oxathiazole-4,5,6-triol, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Roig-Zamboni, V, Kok, K, Overkleeft, H, Artola, M, Sulzenbacher, G.
Deposit date:2021-07-06
Release date:2022-07-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:1,6- epi-Cyclophellitol Cyclosulfamidate Is a Bona Fide Lysosomal alpha-Glucosidase Stabilizer for the Treatment of Pompe Disease.
J.Am.Chem.Soc., 144, 2022
7P32
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BU of 7p32 by Molmil
Crystal structure of human lysosomal acid-alpha-glucosidase, GAA, in complex with cyclosulfamidate 6
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Roig-Zamboni, V, Kok, K, Overkleeft, H, Artola, M, Sulzenbacher, G.
Deposit date:2021-07-06
Release date:2022-07-13
Last modified:2024-07-31
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:1,6- epi-Cyclophellitol Cyclosulfamidate Is a Bona Fide Lysosomal alpha-Glucosidase Stabilizer for the Treatment of Pompe Disease.
J.Am.Chem.Soc., 144, 2022
5WY0
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BU of 5wy0 by Molmil
Crystal structure of the methyltranferase domain of human HEN1 in complex with AdoMet
Descriptor: S-ADENOSYLMETHIONINE, Small RNA 2'-O-methyltransferase
Authors:Peng, L, Ma, J.B, Wu, L.G, Huang, Y.
Deposit date:2017-01-10
Release date:2018-01-17
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.001 Å)
Cite:Identification of substrates of the small RNA methyltransferase Hen1 in mouse spermatogonial stem cells and analysis of its methyl-transfer domain
J. Biol. Chem., 293, 2018
8GTP
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BU of 8gtp by Molmil
cryo-EM structure of Omicron BA.5 S protein in complex with XGv289
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:Xia, X.Y, Zhang, Y.Y, Chi, X.M, Huang, B.D, Wu, L.S, Zhou, Q.
Deposit date:2022-09-08
Release date:2023-07-12
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Comprehensive structural analysis reveals broad-spectrum neutralizing antibodies against SARS-CoV-2 Omicron variants.
Cell Discov, 9, 2023
8GTO
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BU of 8gto by Molmil
cryo-EM structure of Omicron BA.5 S protein in complex with XGv282
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:Xia, X.Y, Zhang, Y.Y, Chi, X.M, Huang, B.D, Wu, L.S, Zhou, Q.
Deposit date:2022-09-08
Release date:2023-07-12
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Comprehensive structural analysis reveals broad-spectrum neutralizing antibodies against SARS-CoV-2 Omicron variants.
Cell Discov, 9, 2023
8GTQ
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BU of 8gtq by Molmil
cryo-EM structure of Omicron BA.5 S protein in complex with S2L20
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Xia, X.Y, Zhang, Y.Y, Chi, X.M, Huang, B.D, Wu, L.S, Zhou, Q.
Deposit date:2022-09-08
Release date:2023-07-12
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Comprehensive structural analysis reveals broad-spectrum neutralizing antibodies against SARS-CoV-2 Omicron variants.
Cell Discov, 9, 2023

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數據於2024-09-11公開中

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