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8IG5
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BU of 8ig5 by Molmil
Crystal structure of SARS main protease in complex with GC376
Descriptor: 3C-like proteinase nsp5, N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide
Authors:Lin, C, Zhang, J, Li, J.
Deposit date:2023-02-20
Release date:2024-03-06
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Structural Basis for Coronaviral Main Proteases Inhibition by the 3CLpro Inhibitor GC376.
J.Mol.Biol., 436, 2024
8IG9
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BU of 8ig9 by Molmil
Crystal structure of SARS-Cov-2 main protease M49I mutant in complex with GC376
Descriptor: 3C-like proteinase nsp5, N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide
Authors:Zou, X.F, Zhang, J, Li, J.
Deposit date:2023-02-20
Release date:2024-03-06
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Structural Basis for Coronaviral Main Proteases Inhibition by the 3CLpro Inhibitor GC376.
J.Mol.Biol., 436, 2024
8IG8
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BU of 8ig8 by Molmil
Crystal structure of SARS-Cov-2 main protease S46F mutant in complex with GC376
Descriptor: 3C-like proteinase nsp5, N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide
Authors:Zeng, X.Y, Zhang, J, Li, J.
Deposit date:2023-02-20
Release date:2024-03-06
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Structural Basis for Coronaviral Main Proteases Inhibition by the 3CLpro Inhibitor GC376.
J.Mol.Biol., 436, 2024
8IGB
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BU of 8igb by Molmil
Crystal structure of SARS-Cov-2 main protease P132H mutant in complex with GC376
Descriptor: 3C-like proteinase nsp5, N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide
Authors:Li, W.W, Zhang, J, Li, J.
Deposit date:2023-02-20
Release date:2024-03-06
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Structural Basis for Coronaviral Main Proteases Inhibition by the 3CLpro Inhibitor GC376.
J.Mol.Biol., 436, 2024
8KHU
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BU of 8khu by Molmil
Hepatitis B virus core protein Y132A mutant in complex with THPP derivatives 48
Descriptor: (6~{S},7~{R})-6,7-dimethyl-3-(2-oxidanylidenepyrrolidin-1-yl)-~{N}-[3,4,5-tris(fluoranyl)phenyl]-6,7-dihydro-4~{H}-pyrazolo[1,5-a]pyrazine-5-carboxamide, Capsid protein, GLYCEROL, ...
Authors:Zhou, Z, Xu, Z.H.
Deposit date:2023-08-22
Release date:2023-10-25
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of 4,5,6,7-Tetrahydropyrazolo[1.5-a]pyrizine Derivatives as Core Protein Allosteric Modulators (CpAMs) for the Inhibition of Hepatitis B Virus.
J.Med.Chem., 66, 2023
3UEJ
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BU of 3uej by Molmil
Structural and functional characterization of an anesthetic binding site in the second cysteine-rich domain of protein kinase Cdelta
Descriptor: PHOSPHATE ION, Protein kinase C delta type, ZINC ION
Authors:Shanmugasundararaj, S, Stehle, T, Miller, K.W.
Deposit date:2011-10-30
Release date:2012-12-12
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.301 Å)
Cite:Structural and Functional Characterization of an Anesthetic Binding Site in the Second Cysteine-Rich Domain of Protein Kinase Cdelta
Biophys.J., 103, 2012
3UGL
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BU of 3ugl by Molmil
Structural and functional characterization of an anesthetic binding site in the second cysteine-rich domain of protein kinase C delta
Descriptor: PHOSPHATE ION, Proteine kinase C delta type, ZINC ION, ...
Authors:Shanmugasundararaj, S, Stehle, T, Miller, K.W.
Deposit date:2011-11-02
Release date:2012-12-12
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.357 Å)
Cite:Structural and Functional Characterization of an Anesthetic Binding Site in the Second Cysteine-Rich Domain of Protein Kinase Cdelta
Biophys.J., 103, 2012
3UFF
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BU of 3uff by Molmil
Structural and functional characterization of an anesthetic binding site in the second cysteine-rich domain of protein kinase Cdelta
Descriptor: PHOSPHATE ION, Protein kinase C delta type, ZINC ION
Authors:Shanmugasundararaj, S, Stehle, T, Miller, K.W.
Deposit date:2011-11-01
Release date:2012-12-12
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structural and functional characterization of an anesthetic binding site in the second cysteine-rich domain of protein kinase C delta
Biophys.J., 103, 2012
3UGI
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BU of 3ugi by Molmil
Structural and functional characterization of an anesthetic binding site in the second cysteine-rich domain of protein kinase C delta
Descriptor: (methoxymethyl)cyclopropane, PHOSPHATE ION, Protein kinase C delta type, ...
Authors:Shanmugasundararaj, S, Stehle, T, Miller, K.W.
Deposit date:2011-11-02
Release date:2012-12-12
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.361 Å)
Cite:Structural and Functional Characterization of an Anesthetic Binding Site in the Second Cysteine-Rich Domain of Protein Kinase Cdelta
Biophys.J., 103, 2012
3UEY
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BU of 3uey by Molmil
Structural and functional characterization of an anesthetic binding site in the second cysteine-rich domain of protein kinase Cdelta
Descriptor: PHOSPHATE ION, Protein kinase C delta type, ZINC ION
Authors:Shanmugasundararaj, S, Stehle, T, Miller, K.W.
Deposit date:2011-10-31
Release date:2012-12-12
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.301 Å)
Cite:Structural and Functional Characterization of an Anesthetic Binding Site in the Second Cysteine-Rich Domain of Protein Kinase Cdelta
Biophys.J., 103, 2012
3UGD
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BU of 3ugd by Molmil
Structural and functional characterization of an anesthetic binding site in the second cysteine-rich domain of protein kinase C delta
Descriptor: 1,2-ETHANEDIOL, PHOSPHATE ION, Protein kinase C delta type, ...
Authors:Shanmugasundararaj, S, Stehle, T, Miller, K.W.
Deposit date:2011-11-02
Release date:2012-12-12
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structural and functional characterization of an anesthetic binding site in the second cysteine-rich domain of protein kinase C delta
Biophys.J., 103, 2012
8JO4
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BU of 8jo4 by Molmil
Cryo-EM structure of a Legionella effector complexed with actin and ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Actin, alpha skeletal muscle, ...
Authors:Zhou, X.T, Wang, X.F, Tan, J.X, Zhu, Y.Q.
Deposit date:2023-06-07
Release date:2024-05-01
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (3.04 Å)
Cite:Legionella effector LnaB is a phosphoryl AMPylase that impairs phosphosignalling.
Nature, 631, 2024
8JO3
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BU of 8jo3 by Molmil
Cryo-EM structure of a Legionella effector complexed with actin and AMP
Descriptor: ADENOSINE MONOPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Actin, ...
Authors:Zhou, X.T, Wang, X.F, Tan, J.X, Zhu, Y.Q.
Deposit date:2023-06-07
Release date:2024-05-01
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (2.66 Å)
Cite:Legionella effector LnaB is a phosphoryl AMPylase that impairs phosphosignalling.
Nature, 631, 2024
4XU5
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BU of 4xu5 by Molmil
Crystal structure of MvINS bound to a bromine-derived 14C Diacylglycerol (DAG) at 2.1A resolution
Descriptor: (2S)-1-[(13-bromotridecanoyl)oxy]-3-hydroxypropan-2-yl tetradecanoate, DECANE, Uncharacterized protein, ...
Authors:Ren, R.B, Wu, J.P, Yan, C.Y, He, Y, Yan, N.
Deposit date:2015-01-25
Release date:2015-10-14
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:PROTEIN STRUCTURE. Crystal structure of a mycobacterial Insig homolog provides insight into how these sensors monitor sterol levels
Science, 349, 2015
4XU4
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BU of 4xu4 by Molmil
Crystal structure of a mycobacterial Insig homolog MvINS from Mycobacterium vanbaalenii at 1.9A resolution
Descriptor: DECYLAMINE-N,N-DIMETHYL-N-OXIDE, Uncharacterized protein, nonyl beta-D-glucopyranoside
Authors:Ren, R.B, Wu, J.P, Yan, C.Y, He, Y, Yan, N.
Deposit date:2015-01-25
Release date:2015-10-14
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.901 Å)
Cite:PROTEIN STRUCTURE. Crystal structure of a mycobacterial Insig homolog provides insight into how these sensors monitor sterol levels
Science, 349, 2015
4XU6
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BU of 4xu6 by Molmil
Crystal structure of cross-linked MvINS R77C trimer at 1.9A resolution
Descriptor: N-TRIDECANOIC ACID, Uncharacterized protein, octyl beta-D-glucopyranoside
Authors:Ren, R.B, Wu, J.P, Yan, C.Y, He, Y, Yan, N.
Deposit date:2015-01-25
Release date:2015-10-14
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.898 Å)
Cite:PROTEIN STRUCTURE. Crystal structure of a mycobacterial Insig homolog provides insight into how these sensors monitor sterol levels
Science, 349, 2015
8I71
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BU of 8i71 by Molmil
Hepatitis B virus core protein Y132A mutant in complex with Linvencorvir (RG7907), a Hepatitis B Virus (HBV) Core Protein Allosteric Modulator (CpAM)
Descriptor: 3-[(8~{a}~{S})-7-[[5-ethoxycarbonyl-4-(3-fluoranyl-2-methyl-phenyl)-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-3-oxidanylidene-5,6,8,8~{a}-tetrahydro-1~{H}-imidazo[1,5-a]pyrazin-2-yl]-2,2-dimethyl-propanoic acid, CHLORIDE ION, Capsid protein, ...
Authors:Zhou, Z, Xu, Z.H.
Deposit date:2023-01-30
Release date:2023-03-22
Last modified:2023-04-05
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Discovery of Linvencorvir (RG7907), a Hepatitis B Virus Core Protein Allosteric Modulator, for the Treatment of Chronic HBV Infection.
J.Med.Chem., 66, 2023
8SX3
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BU of 8sx3 by Molmil
10E8-GT10.2 immunogen in complex with human Fab 10E8 and mouse Fab W6-10
Descriptor: 10E8 Fab heavy chain, 10E8 light chain, 10E8-GT10.2 immunogen, ...
Authors:Huang, J, Ozorowski, G, Ward, A.B.
Deposit date:2023-05-19
Release date:2024-05-22
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Vaccination induces broadly neutralizing antibody precursors to HIV gp41.
Nat.Immunol., 25, 2024
8TZW
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BU of 8tzw by Molmil
Crystal structure of 10E8-GT4 scaffold in complex with a human 10E8 inferred germline (10E8-iGL1)
Descriptor: 10E8-GT4 epitope scaffold, 10E8-IGL1 Fab Light Chain, 10E8-IGL1 Fab heavy chain
Authors:Irimia, A, Wilson, I.A.
Deposit date:2023-08-28
Release date:2024-06-12
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.66 Å)
Cite:Vaccination induces broadly neutralizing antibody precursors to HIV gp41.
Nat.Immunol., 25, 2024
8U03
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BU of 8u03 by Molmil
Crystal structure of non-glycosylated 10E8-GT10.1 scaffold in complex with a human 10E8 NGS precursor (10E8-NGS-03)
Descriptor: 10E8-GT10.1 epitope scaffold, 10E8-NGS-03 Fab Light Chain, 10E8-NGS-03 Fab heavy chain, ...
Authors:Irimia, A, Wilson, I.A.
Deposit date:2023-08-28
Release date:2024-06-12
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:Vaccination induces broadly neutralizing antibody precursors to HIV gp41.
Nat.Immunol., 25, 2024
8U08
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BU of 8u08 by Molmil
Crystal structure of 10E8-GT11 scaffold in complex with a human 10E8 inferred germline (10E8-iGL1)
Descriptor: 10E8-GT11 epitope scaffold, 10E8-IGL1 heavy chain, 10E8-IGL1 light chain, ...
Authors:Irimia, A, Wilson, I.A.
Deposit date:2023-08-28
Release date:2024-06-12
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Vaccination induces broadly neutralizing antibody precursors to HIV gp41.
Nat.Immunol., 25, 2024
8TZN
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BU of 8tzn by Molmil
Crystal structure of 10E8-GT10.2 HIV-1 MPER scaffold in complex with a non-human primate W3-01 Fab
Descriptor: 10E8-GT10.2 MPER scaffold, W3-01 Fab Heavy Chain, W3-01 Fab Light Chain
Authors:Lee, C.C.D, Wilson, I.A.
Deposit date:2023-08-27
Release date:2024-06-12
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (3.11 Å)
Cite:Vaccination induces broadly neutralizing antibody precursors to HIV gp41.
Nat.Immunol., 25, 2024
8V2E
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BU of 8v2e by Molmil
Crystal structure of B055 scaffold boost immunogen in complex with a mature 10E8 Fab
Descriptor: 10E8 EPITOPE SCAFFOLD B055, 2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody 10E8 FAB HEAVY CHAIN, ...
Authors:Cho, S.Y, Wilson, I.A.
Deposit date:2023-11-22
Release date:2024-06-12
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Vaccination induces broadly neutralizing antibody precursors to HIV gp41.
Nat.Immunol., 25, 2024
8W8D
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BU of 8w8d by Molmil
Structural mechanism of inhibition of the Rho transcription termination factor by Rof
Descriptor: Protein rof, Transcription termination factor Rho
Authors:Zhang, J, Wang, C.
Deposit date:2023-09-01
Release date:2024-05-01
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:A widely conserved protein Rof inhibits transcription termination factor Rho and promotes Salmonella virulence program.
Nat Commun, 15, 2024
8GT6
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BU of 8gt6 by Molmil
human STING With agonist HB3089
Descriptor: 1-[(2E)-4-{5-carbamoyl-2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-7-[3-(morpholin-4-yl)propoxy]-1H-benzimidazol-1-yl}but-2-en-1-yl]-2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-7-methyl-1H-furo[3,2-e]benzimidazole-5-carboxamide, Stimulator of interferon genes protein
Authors:Wang, Z, Yu, X.
Deposit date:2022-09-07
Release date:2022-12-28
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.47 Å)
Cite:Structural insights into a shared mechanism of human STING activation by a potent agonist and an autoimmune disease-associated mutation.
Cell Discov, 8, 2022

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数据于2024-09-25公开中

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