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8RLE
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BU of 8rle by Molmil
SPNS2:sfGFP hetero dimer assembled by Di-Gluebody - sfGFP local refinement
Descriptor: Gluebody GbC4, Gluebody GbEnhancer, Green fluorescent protein
Authors:Yi, G, Ye, M, Mamalis, D, Sauer, D.B, von Delft, F, Davis, B.G, Gilbert, R.J.C.
Deposit date:2024-01-02
Release date:2025-01-15
Method:ELECTRON MICROSCOPY (3.75 Å)
Cite:Di-Gluebodies: Rigid modular nanobody protein assemblies enabling simultaneous determination of high-resolution cryo-EM structures
To Be Published
6MGP
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BU of 6mgp by Molmil
Structure of human 4-1BB / 4-1BBL complex
Descriptor: ACETATE ION, GLYCEROL, Tumor necrosis factor ligand superfamily member 9, ...
Authors:Kimberlin, C.R, Chin, S.M, Roe-Zurz, Z, Xu, A, Yang, Y.
Deposit date:2018-09-14
Release date:2018-11-14
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Structure of the 4-1BB/4-1BBL complex and distinct binding and functional properties of utomilumab and urelumab
Nat Commun, 9, 2018
6MGE
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BU of 6mge by Molmil
Structure of human 4-1BBL
Descriptor: GLYCEROL, PHOSPHATE ION, Tumor necrosis factor ligand superfamily member 9
Authors:Kimberlin, C.R, Chin, S.M, Roe-Zurz, Z, Xu, A, Yang, Y.
Deposit date:2018-09-13
Release date:2018-11-21
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Structure of the 4-1BB/4-1BBL complex and distinct binding and functional properties of utomilumab and urelumab.
Nat Commun, 9, 2018
6MHR
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BU of 6mhr by Molmil
Structure of the human 4-1BB / Urelumab Fab complex
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, MALONATE ION, ...
Authors:Kimberlin, C.R, Chin, S.M, Roe-Zurz, Z, Xu, A, Yang, Y.
Deposit date:2018-09-18
Release date:2018-11-21
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of the 4-1BB/4-1BBL complex and distinct binding and functional properties of utomilumab and urelumab.
Nat Commun, 9, 2018
6MI2
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BU of 6mi2 by Molmil
Structure of the human 4-1BB / Utomilumab Fab complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, SULFATE ION, ...
Authors:Kimberlin, C.R, Chin, S.M, Roe-Zurz, Z, Xu, A, Yang, Y.
Deposit date:2018-09-19
Release date:2018-11-21
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:Structure of the 4-1BB/4-1BBL complex and distinct binding and functional properties of utomilumab and urelumab.
Nat Commun, 9, 2018
8TH1
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BU of 8th1 by Molmil
Crystal Structure of the G3BP1 NTF2-like domain bound to the IDR1 of SARS-CoV-2 nucleocapsid protein D3L mutant
Descriptor: Nucleoprotein, Ras GTPase-activating protein-binding protein 1
Authors:Hughes, M.P, Taylor, J.P, Yang, Z.
Deposit date:2023-07-13
Release date:2023-12-27
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Interaction between host G3BP and viral nucleocapsid protein regulates SARS-CoV-2 replication and pathogenicity.
Cell Rep, 43, 2024
8TH7
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BU of 8th7 by Molmil
Crystal Structure of the G3BP1 NTF2-like domain bound to the Caprin1 peptide
Descriptor: Caprin-1, Ras GTPase-activating protein-binding protein 1
Authors:Hughes, M.P, Taylor, J.P, Yang, Z.
Deposit date:2023-07-14
Release date:2024-03-20
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.88 Å)
Cite:Interaction between host G3BP and viral nucleocapsid protein regulates SARS-CoV-2 replication and pathogenicity.
Cell Rep, 43, 2024
8TH6
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BU of 8th6 by Molmil
Crystal Structure of the G3BP1 NTF2-like domain bound to USP10 peptide
Descriptor: 1,2-ETHANEDIOL, Ras GTPase-activating protein-binding protein 1, Ubiquitin carboxyl-terminal hydrolase 10
Authors:Hughes, M.P, Taylor, J.P, Yang, Z.
Deposit date:2023-07-14
Release date:2024-03-20
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Interaction between host G3BP and viral nucleocapsid protein regulates SARS-CoV-2 replication and pathogenicity.
Cell Rep, 43, 2024
8TH5
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BU of 8th5 by Molmil
Crystal Structure of the G3BP1 NTF2-like domain bound to the IDR1 of SARS-CoV-2 nucleocapsid protein P13L mutant
Descriptor: Nucleoprotein, Ras GTPase-activating protein-binding protein 1
Authors:Hughes, M.P, Taylor, J.P, Yang, Z.
Deposit date:2023-07-13
Release date:2024-03-20
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Interaction between host G3BP and viral nucleocapsid protein regulates SARS-CoV-2 replication and pathogenicity.
Cell Rep, 43, 2024
6O1D
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BU of 6o1d by Molmil
Cryo-EM structure of the centromeric nucleosome with native alpha satellite DNA
Descriptor: DNA (145-MER), Histone H2A type 1-B/E, Histone H2B type 1-J, ...
Authors:Zhou, B.-R.
Deposit date:2019-02-19
Release date:2019-05-22
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.395 Å)
Cite:Atomic resolution cryo-EM structure of a native-like CENP-A nucleosome aided by an antibody fragment.
Nat Commun, 10, 2019
6NCJ
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BU of 6ncj by Molmil
Structure of HIV-1 Integrase with potent 5,6,7,8-Tetrahydro-1,6-naphthyridine Derivatives Allosteric Site Inhibitors
Descriptor: (2~{S})-2-[4-(8-fluoranyl-5-methyl-3,4-dihydro-2~{H}-chromen-6-yl)-2-methyl-6-[[(1~{S},2~{R})-2-phenylcyclopropyl]methyl]-7,8-dihydro-5~{H}-1,6-naphthyridin-3-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid, 1,2-ETHANEDIOL, Integrase, ...
Authors:Nolte, R.T.
Deposit date:2018-12-11
Release date:2019-01-16
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:5,6,7,8-Tetrahydro-1,6-naphthyridine Derivatives as Potent HIV-1-Integrase-Allosteric-Site Inhibitors.
J. Med. Chem., 62, 2019
6OKO
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BU of 6oko by Molmil
Crystal structure of mRIPK3 complexed with N-(3-fluoro-4-{1H-pyrrolo[2,3-b]pyridin-4-yloxy}phenyl)-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide
Descriptor: 1-(4-fluorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxo-1,2-dihydropyridine-3-carboxamide, Receptor-interacting serine/threonine-protein kinase 3
Authors:Pokross, M.E.
Deposit date:2019-04-14
Release date:2019-07-17
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Identification of RIPK3 Type II Inhibitors Using High-Throughput Mechanistic Studies in Hit Triage.
Acs Med.Chem.Lett., 11, 2020
6NO7
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BU of 6no7 by Molmil
Crystal Structure of the full-length wild-type PKA RIa Holoenzyme
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, cAMP-dependent protein kinase catalytic subunit alpha, ...
Authors:Lu, T, Wu, J, Taylor, S.S.
Deposit date:2019-01-15
Release date:2019-07-24
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (3.55 Å)
Cite:Two PKA RI alpha holoenzyme states define ATP as an isoform-specific orthosteric inhibitor that competes with the allosteric activator, cAMP.
Proc.Natl.Acad.Sci.USA, 116, 2019
7YI3
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BU of 7yi3 by Molmil
Cryo-EM structure of Rpd3S in close-state Rpd3S-NCP complex
Descriptor: Chromatin modification-related protein EAF3, Histone deacetylase RPD3, Transcriptional regulatory protein RCO1, ...
Authors:Li, H.T, Yan, C.Y, Guan, H.P, Wang, P.
Deposit date:2022-07-14
Release date:2023-06-14
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Diverse modes of H3K36me3-guided nucleosomal deacetylation by Rpd3S.
Nature, 620, 2023
7YI2
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BU of 7yi2 by Molmil
Cryo-EM structure of Rpd3S in loose-state Rpd3S-NCP complex
Descriptor: Chromatin modification-related protein EAF3, Histone deacetylase RPD3, Transcriptional regulatory protein RCO1, ...
Authors:Li, H.T, Yan, C.Y, Guan, H.P, Wang, P.
Deposit date:2022-07-14
Release date:2023-06-14
Last modified:2025-06-18
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Diverse modes of H3K36me3-guided nucleosomal deacetylation by Rpd3S.
Nature, 620, 2023
7YI1
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BU of 7yi1 by Molmil
Cryo-EM structure of Eaf3 CHD bound to H3K36me3 nucleosome
Descriptor: Chromatin modification-related protein EAF3, Histone H2A, Histone H2B 1.1, ...
Authors:Li, H.T, Yan, C.Y, Guan, H.P, Wang, P.
Deposit date:2022-07-14
Release date:2023-06-14
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Diverse modes of H3K36me3-guided nucleosomal deacetylation by Rpd3S.
Nature, 620, 2023
7YI0
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BU of 7yi0 by Molmil
Cryo-EM structure of Rpd3S complex
Descriptor: Chromatin modification-related protein EAF3, Histone deacetylase RPD3, Transcriptional regulatory protein RCO1, ...
Authors:Li, H.T, Yan, C.Y, Guan, H.P, Wang, P.
Deposit date:2022-07-14
Release date:2023-06-14
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Diverse modes of H3K36me3-guided nucleosomal deacetylation by Rpd3S.
Nature, 620, 2023
5UPW
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BU of 5upw by Molmil
CryoEM Structure Refinement by Integrating NMR Chemical Shifts with Molecular Dynamics Simulations
Descriptor: Gag polyprotein
Authors:Perilla, J.R.
Deposit date:2017-02-04
Release date:2017-03-01
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (5 Å)
Cite:CryoEM Structure Refinement by Integrating NMR Chemical Shifts with Molecular Dynamics Simulations.
J Phys Chem B, 121, 2017
8BSM
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BU of 8bsm by Molmil
Human GLS in complex with compound 18
Descriptor: 2-phenyl-~{N}-[5-[[(3~{R})-1-[5-(2-phenylethanoylamino)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]ethanamide, Glutaminase kidney isoform, mitochondrial 65 kDa chain, ...
Authors:Debreczeni, J.E.
Deposit date:2022-11-25
Release date:2023-01-18
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.782 Å)
Cite:Discovery of a Thiadiazole-Pyridazine-Based Allosteric Glutaminase 1 Inhibitor Series That Demonstrates Oral Bioavailability and Activity in Tumor Xenograft Models.
J Med Chem, 62, 2019
8BSK
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BU of 8bsk by Molmil
Human GLS in complex with compound 3
Descriptor: Glutaminase kidney isoform, mitochondrial 65 kDa chain, N,N'-[sulfanediylbis(ethane-2,1-diyl-1,3,4-thiadiazole-5,2-diyl)]bis(2-phenylacetamide), ...
Authors:Debreczeni, J.E.
Deposit date:2022-11-25
Release date:2023-01-18
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery of a Thiadiazole-Pyridazine-Based Allosteric Glutaminase 1 Inhibitor Series That Demonstrates Oral Bioavailability and Activity in Tumor Xenograft Models.
J Med Chem, 62, 2019
8BSL
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BU of 8bsl by Molmil
Human GLS in complex with compound 12
Descriptor: Glutaminase kidney isoform, mitochondrial, ~{N}-[5-[[(3~{R})-1-(5-azanyl-1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]-2-phenyl-ethanamide
Authors:Debreczeni, J.E.
Deposit date:2022-11-25
Release date:2023-01-18
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Discovery of a Thiadiazole-Pyridazine-Based Allosteric Glutaminase 1 Inhibitor Series That Demonstrates Oral Bioavailability and Activity in Tumor Xenograft Models.
J Med Chem, 62, 2019
8BSN
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BU of 8bsn by Molmil
Human GLS in complex with compound 27
Descriptor: (2~{S})-2-methoxy-2-phenyl-~{N}-[5-[[(3~{R})-1-pyridazin-3-ylpyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]ethanamide, Glutaminase kidney isoform, mitochondrial 65 kDa chain, ...
Authors:Debreczeni, J.E.
Deposit date:2022-11-25
Release date:2023-01-18
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.494 Å)
Cite:Discovery of a Thiadiazole-Pyridazine-Based Allosteric Glutaminase 1 Inhibitor Series That Demonstrates Oral Bioavailability and Activity in Tumor Xenograft Models.
J Med Chem, 62, 2019
7YI5
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BU of 7yi5 by Molmil
Cryo-EM structure of Rpd3S complex bound to H3K36me3 nucleosome in loose state
Descriptor: Chromatin modification-related protein EAF3, Histone H2A, Histone H2B 1.1, ...
Authors:Li, H.T, Yan, C.Y, Guan, H.P, Wang, P.
Deposit date:2022-07-14
Release date:2023-06-14
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (3.96 Å)
Cite:Diverse modes of H3K36me3-guided nucleosomal deacetylation by Rpd3S.
Nature, 620, 2023
7YI4
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BU of 7yi4 by Molmil
Cryo-EM structure of Rpd3S complex bound to H3K36me3 nucleosome in close state
Descriptor: Chromatin modification-related protein EAF3, Histone H2A, Histone H2B 1.1, ...
Authors:Li, H.T, Yan, C.Y, Guan, H.P, Wang, P.
Deposit date:2022-07-14
Release date:2023-06-14
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (3.96 Å)
Cite:Diverse modes of H3K36me3-guided nucleosomal deacetylation by Rpd3S.
Nature, 620, 2023
5WCU
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BU of 5wcu by Molmil
Crystal structure of 167 bp nucleosome bound to the globular domain of linker histone H5
Descriptor: DNA (167-MER), Histone H2A, Histone H2B, ...
Authors:Jiang, J.S, Zhou, B.R.
Deposit date:2017-07-02
Release date:2018-10-31
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (5.53 Å)
Cite:Revisit of Reconstituted 30-nm Nucleosome Arrays Reveals an Ensemble of Dynamic Structures.
J. Mol. Biol., 430, 2018

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