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8QYX
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BU of 8qyx by Molmil
Human 60S ribosomal subunit
Descriptor: 1,4-DIAMINOBUTANE, 28S rRNA, 5.8S rRNA, ...
Authors:Wiechert, F, Schacherl, M, Sprink, T.
Deposit date:2023-10-26
Release date:2024-12-11
Last modified:2025-01-22
Method:ELECTRON MICROSCOPY (1.78 Å)
Cite:Visualizing the modification landscape of the human 60S ribosomal subunit at close to atomic resolution.
Nucleic Acids Res., 53, 2025
8HQY
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BU of 8hqy by Molmil
Cryo-EM structure of SSX1 bound to the H2AK119Ub nucleosome at a resolution of 3.05 angstrom
Descriptor: DNA (136-MER), DNA (137-MER), Histone H2A type 1-B/E, ...
Authors:Zebin, T, Ai, H.S, Ziyu, X, GuoChao, C, Man, P, Liu, L.
Deposit date:2022-12-14
Release date:2023-09-27
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (3.05 Å)
Cite:Synovial sarcoma X breakpoint 1 protein uses a cryptic groove to selectively recognize H2AK119Ub nucleosomes.
Nat.Struct.Mol.Biol., 31, 2024
6ZS3
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BU of 6zs3 by Molmil
Crystal structure of the fifth bromodomain of human protein polybromo-1 in complex with 2-(6-amino-5-(piperazin-1-yl)pyridazin-3-yl)phenol
Descriptor: 1,2-ETHANEDIOL, 2-(6-azanyl-5-piperazin-4-ium-1-yl-pyridazin-3-yl)phenol, Protein polybromo-1
Authors:Preuss, F, Joerger, A.C, Wanior, M, Kraemer, A, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2020-07-15
Release date:2020-10-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Pan-SMARCA/PB1 Bromodomain Inhibitors and Their Role in Regulating Adipogenesis.
J.Med.Chem., 63, 2020
8PZ9
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BU of 8pz9 by Molmil
Crystal structure of VDR in complex with D-Bishomo-1a,25-dihydroxyvitamin D3 Analog 55
Descriptor: (1~{R},3~{R})-5-[(2~{E})-2-[(4~{a}~{R},5~{R},9~{a}~{S})-4~{a}-methyl-5-[(2~{R})-6-methyl-6-oxidanyl-heptan-2-yl]-3,4,5,8,9,9~{a}-hexahydro-2~{H}-benzo[7]annulen-1-ylidene]ethylidene]-2-methylidene-cyclohexane-1,3-diol, Nuclear receptor coactivator 2, Vitamin D3 receptor A
Authors:Rochel, N.
Deposit date:2023-07-27
Release date:2023-08-30
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.74 Å)
Cite:Design, synthesis, and biological activity of D-bishomo-1 alpha ,25-dihydroxyvitamin D 3 analogs and their crystal structures with the vitamin D nuclear receptor.
Eur.J.Med.Chem., 271, 2024
5YWV
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BU of 5ywv by Molmil
Crystal structure of TREX1 in complex with a inosine contained ssDNA
Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, INOSINE CONTAINED SSDNA, ...
Authors:Hsiao, Y.Y.
Deposit date:2017-11-30
Release date:2018-05-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis for overhang excision and terminal unwinding of DNA duplexes by TREX1
PLoS Biol., 16, 2018
9JGC
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BU of 9jgc by Molmil
Crystal structure of Nep1 in complex with adenosine from Pyrococcus horikoshii OT3
Descriptor: 1,2-ETHANEDIOL, ADENOSINE, CHLORIDE ION, ...
Authors:Saha, S, Kanaujia, S.P.
Deposit date:2024-09-06
Release date:2025-03-12
Last modified:2025-05-21
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Structural analysis of the ribosome assembly factor Nep1, an N1-specific pseudouridine methyltransferase, reveals mechanistic insights.
Febs J., 292, 2025
7CTR
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BU of 7ctr by Molmil
Closed form of PET-degrading cutinase Cut190 with thermostability-improving mutations of S226P/R228S/Q138A/D250C-E296C/Q123H/N202H
Descriptor: 1,4-DIETHYLENE DIOXIDE, Alpha/beta hydrolase family protein
Authors:Emori, M, Numoto, N, Senga, A, Bekker, G.J, Kamiya, N, Ito, N, Kawai, F, Oda, M.
Deposit date:2020-08-20
Release date:2021-02-03
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Structural basis of mutants of PET-degrading enzyme from Saccharomonospora viridis AHK190 with high activity and thermal stability.
Proteins, 89, 2021
6RV4
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BU of 6rv4 by Molmil
Crystal structure of the human two pore domain potassium ion channel TASK-1 (K2P3.1) in a closed conformation with a bound inhibitor BAY 2341237
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CHOLESTEROL HEMISUCCINATE, POTASSIUM ION, ...
Authors:Rodstrom, K.E.J, Pike, A.C.W, Zhang, W, Quigley, A, Speedman, D, Mukhopadhyay, S.M.M, Shrestha, L, Chalk, R, Venkaya, S, Bushell, S.R, Tessitore, A, Burgess-Brown, N, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Carpenter, E.P, Structural Genomics Consortium (SGC)
Deposit date:2019-05-30
Release date:2019-08-07
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:A lower X-gate in TASK channels traps inhibitors within the vestibule.
Nature, 582, 2020
9DHA
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BU of 9dha by Molmil
State-7-Post-1 of the motor domain from full-length human dynein-1 in 5mM AMPPNP with 5mM Mg2+
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Cytoplasmic dynein 1 heavy chain 1, ...
Authors:Chai, P, Zhang, K.
Deposit date:2024-09-03
Release date:2025-04-23
Last modified:2025-08-20
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:The mechanochemical cycle of reactive full-length human dynein 1.
Nat.Struct.Mol.Biol., 32, 2025
9JGD
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BU of 9jgd by Molmil
Crystal structure of Nep1 in complex with 5'-methylthioadenosine from Pyrococcus horikoshii OT3
Descriptor: 1,2-ETHANEDIOL, 5'-DEOXY-5'-METHYLTHIOADENOSINE, ACETATE ION, ...
Authors:Saha, S, Kanaujia, S.P.
Deposit date:2024-09-06
Release date:2025-03-12
Last modified:2025-05-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural analysis of the ribosome assembly factor Nep1, an N1-specific pseudouridine methyltransferase, reveals mechanistic insights.
Febs J., 292, 2025
8Q59
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BU of 8q59 by Molmil
Crystal structure of metal-dependent class II sulfofructose phosphate aldolase from Yersinia aldovae in complex with sulfofructose phosphate (YaSqiA-Zn-SFP)
Descriptor: (3~{S},4~{S})-2,3,4-tris(oxidanyl)-5-oxidanylidene-6-phosphonooxy-hexane-1-sulfonic acid, SODIUM ION, Tagatose-1,6-bisphosphate aldolase kbaY, ...
Authors:Sharma, M, Davies, G.J.
Deposit date:2023-08-08
Release date:2023-10-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Defining the molecular architecture, metal dependence, and distribution of metal-dependent class II sulfofructose-1-phosphate aldolases.
J.Biol.Chem., 299, 2023
5LOH
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BU of 5loh by Molmil
Kinase domain of human Greatwall
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, STAUROSPORINE, ...
Authors:Rajasekaran, M.B, Pearl, L.H, Oliver, A.W.
Deposit date:2016-08-09
Release date:2016-09-07
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:A first generation inhibitor of human Greatwall kinase, enabled by structural and functional characterisation of a minimal kinase domain construct.
Oncotarget, 7, 2016
9DH5
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BU of 9dh5 by Molmil
State-1 of the motor domain from full-length human dynein-1 in 5mM AMPPNP with 5mM Mg2+
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Cytoplasmic dynein 1 heavy chain 1, ...
Authors:Chai, P, Zhang, K.
Deposit date:2024-09-03
Release date:2025-04-23
Last modified:2025-08-20
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:The mechanochemical cycle of reactive full-length human dynein 1.
Nat.Struct.Mol.Biol., 32, 2025
9DF2
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BU of 9df2 by Molmil
EGFR Exon20 insertion mutant ASV bound with (S)-3-((3-chloro-2-methoxyphenyl)amino)-2-(3-((tetrahydrofuran-2-yl)methoxy)pyridin-4-yl)-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one
Descriptor: 1,2-ETHANEDIOL, 3-[(3-chloranyl-2-methoxy-phenyl)amino]-2-[3-[[(2S)-oxolan-2-yl]methoxy]pyridin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one, CHLORIDE ION, ...
Authors:Hilbert, B.J.
Deposit date:2024-08-29
Release date:2025-05-14
Last modified:2025-07-23
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:STX-721, a Covalent EGFR/HER2 Exon 20 Inhibitor, Utilizes Exon 20-Mutant Dynamic Protein States and Achieves Unique Mutant Selectivity Across Human Cancer Models.
Clin.Cancer Res., 31, 2025
9DF3
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BU of 9df3 by Molmil
EGFR Exon20 insertion mutant SVD bound with (S)-3-((3-chloro-2-methoxyphenyl)amino)-2-(3-((tetrahydrofuran-2-yl)methoxy)pyridin-4-yl)-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one
Descriptor: 1,2-ETHANEDIOL, 3-[(3-chloranyl-2-methoxy-phenyl)amino]-2-[3-[[(2S)-oxolan-2-yl]methoxy]pyridin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one, Epidermal growth factor receptor, ...
Authors:Hilbert, B.J, Brooijmans, N, Pagliarini, R.A, Milgram, B.C.
Deposit date:2024-08-29
Release date:2025-05-14
Last modified:2025-07-23
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:STX-721, a Covalent EGFR/HER2 Exon 20 Inhibitor, Utilizes Exon 20-Mutant Dynamic Protein States and Achieves Unique Mutant Selectivity Across Human Cancer Models.
Clin.Cancer Res., 31, 2025
5MD7
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BU of 5md7 by Molmil
The structure of the mature HIV-1 CA hexameric lattice with curvature parameters: tilt=11, twist=-12
Descriptor: Capsid protein p24
Authors:Mattei, S, Glass, B, Hagen, W.J.H, Kraeusslich, H.-G, Briggs, J.A.G.
Deposit date:2016-11-10
Release date:2016-12-28
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (8.4 Å)
Cite:The structure and flexibility of conical HIV-1 capsids determined within intact virions.
Science, 354, 2016
5MD9
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BU of 5md9 by Molmil
The structure of the mature HIV-1 CA hexameric lattice with curvature parameters: tilt=17, twist=6
Descriptor: Capsid protein p24 C-terminal domain, Capsid protein p24 N-terminal domain
Authors:Mattei, S, Glass, B, Hagen, W.J.H, Kraeusslich, H.-G, Briggs, J.A.G.
Deposit date:2016-11-10
Release date:2016-12-28
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (8 Å)
Cite:The structure and flexibility of conical HIV-1 capsids determined within intact virions.
Science, 354, 2016
8SBT
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BU of 8sbt by Molmil
Structure of human Hsp90-alpha bound to purine inhibitor PU-H36
Descriptor: 9-(pent-4-yn-1-yl)-8-[(2,4,6-trimethylphenyl)sulfanyl]-9H-purin-6-amine, Heat shock protein HSP 90-alpha, MAGNESIUM ION
Authors:Que, N.S, Gewirth, D.T.
Deposit date:2023-04-04
Release date:2024-10-09
Last modified:2025-02-19
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Selective Inhibition of hsp90 Paralogs: Uncovering the Role of Helix 1 in Grp94-Selective Ligand Binding.
Proteins, 93, 2025
5MD3
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BU of 5md3 by Molmil
The structure of the mature HIV-1 CA hexameric lattice with curvature parameters: tilt=11, twist=12
Descriptor: Capsid protein p24
Authors:Mattei, S, Glass, B, Hagen, W.J.H, Kraeusslich, H.-G, Briggs, J.A.G.
Deposit date:2016-11-10
Release date:2016-12-28
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (8.5 Å)
Cite:The structure and flexibility of conical HIV-1 capsids determined within intact virions.
Science, 354, 2016
5MDE
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BU of 5mde by Molmil
The structure of the mature HIV-1 CA hexameric lattice with curvature parameters: tilt=23, twist=0
Descriptor: Capsid protein p24 C-terminal domain, Capsid protein p24 N-terminal domain
Authors:Mattei, S, Glass, B, Hagen, W.J.H, Kraeusslich, H.-G, Briggs, J.A.G.
Deposit date:2016-11-10
Release date:2016-12-28
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (8.4 Å)
Cite:The structure and flexibility of conical HIV-1 capsids determined within intact virions.
Science, 354, 2016
9E7E
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BU of 9e7e by Molmil
Crystal structure of HIV-1 RRE SLII A31CG39C mutant in complex with Fab BL3-6
Descriptor: BL3-6 Fab heavy chain, BL3-6 Fab light chain, Rev Response Element SLII A31C/G39C
Authors:Ojha, M, Koirala, D.
Deposit date:2024-11-01
Release date:2025-05-28
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Crystal structure of HIV-1 RRE SLII A31CG39C mutant in complex with Fab BL3-6
To Be Published
8S6M
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BU of 8s6m by Molmil
SARS-CoV-2 BQ.1.1 RBD bound to the S2V29 and the S2H97 Fab fragments
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Errico, J.M, Park, Y.J, Rietz, T, Czudnochowski, N, Nix, J.C, Cameroni, E, Corti, D, Snell, G, Marco, A.D, Pinto, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID), Veesler, D.
Deposit date:2024-02-28
Release date:2024-10-23
Last modified:2024-12-25
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:A potent pan-sarbecovirus neutralizing antibody resilient to epitope diversification.
Cell, 187, 2024
9GQL
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BU of 9gql by Molmil
Human MTH1 in complex with stanozolol
Descriptor: GLYCEROL, Oxidized purine nucleoside triphosphate hydrolase, SULFATE ION, ...
Authors:Scaletti Hutchinson, E, Gustafsson Westergren, R, Stenmark, P.
Deposit date:2024-09-09
Release date:2025-08-13
Last modified:2025-09-10
Method:X-RAY DIFFRACTION (1.401 Å)
Cite:The anabolic steroid stanozolol is a potent inhibitor of human MutT homolog 1.
Febs Lett., 2025
135L
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BU of 135l by Molmil
X-RAY STRUCTURE OF MONOCLINIC TURKEY EGG LYSOZYME AT 1.3 ANGSTROMS RESOLUTION
Descriptor: TURKEY EGG WHITE LYSOZYME
Authors:Harata, K.
Deposit date:1993-06-10
Release date:1993-10-31
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:X-ray structure of monoclinic turkey egg lysozyme at 1.3 A resolution.
Acta Crystallogr.,Sect.D, 49, 1993
5MDA
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BU of 5mda by Molmil
The structure of the mature HIV-1 CA hexameric lattice with curvature parameters: tilt=17, twist=0
Descriptor: Gag protein
Authors:Mattei, S, Glass, B, Hagen, W.J.H, Kraeusslich, H.-G, Briggs, J.A.G.
Deposit date:2016-11-10
Release date:2016-12-28
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (8.4 Å)
Cite:The structure and flexibility of conical HIV-1 capsids determined within intact virions.
Science, 354, 2016

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數據於2025-10-15公開中

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