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9B9H
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BU of 9b9h by Molmil
Crystal structure of the ternary complex of DCAF1 and WDR5 with PROTAC, OICR-40333
Descriptor: DDB1- and CUL4-associated factor 1, N-{(1P)-5'-({(17E)-18-[(3P)-4-{[(1S)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]carbamoyl}-3-(4-chloro-2-fluorophenyl)-1H-pyrrol-2-yl]-16-oxo-3,6,9,12-tetraoxa-15-azaoctadec-17-en-1-yl}carbamoyl)-2'-fluoro-4-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl][1,1'-biphenyl]-3-yl}-6-oxo-4-(trifluoromethyl)-1,6-dihydropyridine-3-carboxamide, WD repeat-containing protein 5
Authors:Mabanglo, M.F, Wilson, B.J, Alvarez, H.G, Hoffer, L, Al-awar, R, Vedadi, M.
Deposit date:2024-04-02
Release date:2024-11-06
Last modified:2024-12-04
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Crystal structures of DCAF1-PROTAC-WDR5 ternary complexes provide insight into DCAF1 substrate specificity.
Nat Commun, 15, 2024
9B9W
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BU of 9b9w by Molmil
Crystal structure of the ternary complex of DCAF1 and WDR5 with PROTAC, OICR-40792
Descriptor: (4P)-N-[(1R)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]-4-(4-chloro-2-fluorophenyl)-5-[(25E)-1-{(1P)-6-fluoro-3'-[4-fluoro-2-(trifluoromethyl)benzamido]-4'-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl][1,1'-biphenyl]-3-yl}-1,24-dioxo-5,8,11,14,17,20-hexaoxa-2,23-diazahexacos-25-en-26-yl]-1H-pyrrole-3-carboxamide, DDB1- and CUL4-associated factor 1, WD repeat-containing protein 5
Authors:Mabanglo, M.F, Wilson, B.J, Mamai, A, Hoffer, L, Al-awar, R, Vedadi, M.
Deposit date:2024-04-03
Release date:2024-11-06
Last modified:2024-12-04
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Crystal structures of DCAF1-PROTAC-WDR5 ternary complexes provide insight into DCAF1 substrate specificity.
Nat Commun, 15, 2024
9B9T
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BU of 9b9t by Molmil
Crystal structure of the ternary complex of DCAF1 and WDR5 with PROTAC, OICR-40407
Descriptor: DDB1- and CUL4-associated factor 1, N-{(1P)-5'-[(17-{(4P)-4-[(2P)-4-{[(1R)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]carbamoyl}-3-(4-chloro-2-fluorophenyl)-1H-pyrrol-2-yl]-1H-pyrazol-1-yl}-16-oxo-3,6,9,12-tetraoxa-15-azaheptadecan-1-yl)carbamoyl]-2'-fluoro-4-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl][1,1'-biphenyl]-3-yl}-6-oxo-4-(trifluoromethyl)-1,6-dihydropyridine-3-carboxamide, WD repeat-containing protein 5
Authors:Mabanglo, M.F, Wilson, B.J, Krausser, C, Hoffer, L, Al-awar, R, Vedadi, M.
Deposit date:2024-04-03
Release date:2024-11-06
Last modified:2024-12-04
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal structures of DCAF1-PROTAC-WDR5 ternary complexes provide insight into DCAF1 substrate specificity.
Nat Commun, 15, 2024
9BA2
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BU of 9ba2 by Molmil
Crystal structure of the binary complex of DCAF1 and WDR5
Descriptor: DDB1- and CUL4-associated factor 1, IMIDAZOLE, WD repeat-containing protein 5
Authors:Mabanglo, M.F, Wilson, B.J, Srivastava, S, Al-awar, R, Vedadi, M.
Deposit date:2024-04-03
Release date:2024-11-06
Last modified:2024-12-04
Method:X-RAY DIFFRACTION (2.97 Å)
Cite:Crystal structures of DCAF1-PROTAC-WDR5 ternary complexes provide insight into DCAF1 substrate specificity.
Nat Commun, 15, 2024
1YYN
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BU of 1yyn by Molmil
A common binding site for disialyllactose and a tri-peptide in the C-fragment of tetanus neurotoxin
Descriptor: N-acetyl-alpha-neuraminic acid-(2-8)-N-acetyl-alpha-neuraminic acid-(2-3)-alpha-D-galactopyranose-(1-4)-beta-D-glucopyranose, Tetanus toxin
Authors:Seetharaman, J, Eswaramoorthy, S, Kumaran, D, Swaminathan, S.
Deposit date:2005-02-25
Release date:2005-03-15
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Common binding site for disialyllactose and tri-peptide in C-fragment of tetanus neurotoxin
Proteins, 61, 2005
6TWM
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BU of 6twm by Molmil
Product bound structure of the Ectoine utilization protein EutE (DoeB) from Ruegeria pomeroyi
Descriptor: 2,4-DIAMINOBUTYRIC ACID, ACETATE ION, N-acetyl-L-2,4-diaminobutyric acid deacetylase, ...
Authors:Mais, C.-N, Altegoer, F, Bange, G.
Deposit date:2020-01-13
Release date:2020-05-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Degradation of the microbial stress protectants and chemical chaperones ectoine and hydroxyectoine by a bacterial hydrolase-deacetylase complex.
J.Biol.Chem., 295, 2020
6UH7
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BU of 6uh7 by Molmil
EV-A71 strain 11316 complexed with MADAL compound 30
Descriptor: SPHINGOSINE, VP1, VP2, ...
Authors:Lee, H, Hafenstein, S.
Deposit date:2019-09-26
Release date:2019-12-18
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (2.87 Å)
Cite:Scaffold Simplification Strategy Leads to a Novel Generation of Dual Human Immunodeficiency Virus and Enterovirus-A71 Entry Inhibitors.
J.Med.Chem., 63, 2020
2AFJ
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BU of 2afj by Molmil
SPRY domain-containing SOCS box protein 2 (SSB-2)
Descriptor: gene rich cluster, C9 gene
Authors:Masters, S.L, Yao, S, Willson, T.A, Zhang, J.G, Palmer, K.R, Smith, B.J, Babon, J.J, Nicola, N.A, Norton, R.S, Nicholson, S.E.
Deposit date:2005-07-26
Release date:2006-01-03
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:The SPRY domain of SSB-2 adopts a novel fold that presents conserved Par-4-binding residues
Nat.Struct.Mol.Biol., 13, 2006
3DRG
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BU of 3drg by Molmil
Lactococcal OppA complexed with bradykinin in the closed conformation
Descriptor: Bradykinin, CHLORIDE ION, Oligopeptide-binding protein oppA
Authors:Berntsson, R.P.-A, Doeven, M.K, Duurkens, R.H, Sengupta, D, Marrink, S.-J, Thunnissen, A.-M, Poolman, B, Slotboom, D.-J.
Deposit date:2008-07-11
Release date:2009-03-31
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The structural basis for peptide selection by the transport receptor OppA
Embo J., 28, 2009
1UNC
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BU of 1unc by Molmil
Solution structure of the human villin C-terminal headpiece subdomain
Descriptor: VILLIN 1
Authors:Vermeulen, W, Van Troys, M, Vanhaesebrouck, P, Verschueren, M, Fant, F, Ampe, C, Martins, J, Borremans, F.
Deposit date:2003-09-09
Release date:2004-07-15
Last modified:2024-11-13
Method:SOLUTION NMR
Cite:Solution Structures of the C-Terminal Headpiece Subdomains of Human Villin and Advillin, Evaluation of Headpiece F-Actin-Binding Requirements
Protein Sci., 13, 2004
2AFX
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BU of 2afx by Molmil
Crystal structure of human glutaminyl cyclase in complex with 1-benzylimidazole
Descriptor: 1-BENZYL-1H-IMIDAZOLE, Glutaminyl-peptide cyclotransferase, SULFATE ION, ...
Authors:Huang, K.F, Liu, Y.L, Cheng, W.J, Ko, T.P, Wang, A.H.J.
Deposit date:2005-07-26
Release date:2005-08-23
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Crystal structures of human glutaminyl cyclase, an enzyme responsible for protein N-terminal pyroglutamate formation
Proc.Natl.Acad.Sci.Usa, 102, 2005
9B65
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BU of 9b65 by Molmil
Biased agonist bound CB1-Gi structure
Descriptor: Cannabinoid receptor 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:Rangari, V.A, O'Brien, E.S, Kobilka, B.K, Krishna Kumar, K, Majumdar, S.
Deposit date:2024-03-23
Release date:2025-03-05
Last modified:2025-04-16
Method:ELECTRON MICROSCOPY (3.03 Å)
Cite:A cryptic pocket in CB1 drives peripheral and functional selectivity.
Nature, 640, 2025
3DL8
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BU of 3dl8 by Molmil
Structure of the complex of aquifex aeolicus SecYEG and bacillus subtilis SecA
Descriptor: Preprotein translocase subunit secY, Protein translocase subunit secA, Protein-export membrane protein secG, ...
Authors:Nam, Y, Zimmer, J, Rapoport, T.A.
Deposit date:2008-06-26
Release date:2008-12-02
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (7.5 Å)
Cite:Structure of a complex of the ATPase SecA and the protein-translocation channel.
Nature, 455, 2008
9B54
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BU of 9b54 by Molmil
Biased agonist bound CB1-Gi structure
Descriptor: Cannabinoid receptor 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:Rangari, V.A, O'Brien, E.S, Kobilka, B.K, Krishna Kumar, K, Majumdar, S.
Deposit date:2024-03-22
Release date:2025-03-05
Last modified:2025-04-16
Method:ELECTRON MICROSCOPY (2.86 Å)
Cite:A cryptic pocket in CB1 drives peripheral and functional selectivity.
Nature, 640, 2025
9B1Y
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BU of 9b1y by Molmil
WT strain WT mycobacterial ribosome
Descriptor: 16S rRNA, 23S rRNA, 23S rRNA fragment, ...
Authors:Chen, Y, Young, I.D, Fraser, J.S, Javid, B.
Deposit date:2024-03-14
Release date:2025-03-26
Method:ELECTRON MICROSCOPY (2.47 Å)
Cite:Ribosomal RNA methylation by GidB is a capacitor for discrimination of mischarged tRNA
To be published
9B5Y
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BU of 9b5y by Molmil
Cryo-EM structure of the LAPTH-bound PTH1R in complex with Gq
Descriptor: 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, Guanine nucleotide-binding protein G(q), ...
Authors:Zhang, X, Liu, H, Zhang, C, Vilardaga, J.-P.
Deposit date:2024-03-22
Release date:2025-03-19
Last modified:2025-06-04
Method:ELECTRON MICROSCOPY (3.49 Å)
Cite:Allosteric mechanism in the distinctive coupling of G q and G s to the parathyroid hormone type 1 receptor.
Proc.Natl.Acad.Sci.USA, 122, 2025
3DRK
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BU of 3drk by Molmil
Crystal structure of Lactococcal OppA co-crystallized with Neuropeptide S in an open conformation
Descriptor: Neuropeptide S, Oligopeptide-binding protein oppA
Authors:Berntsson, R.P.-A, Doeven, M.K, Duurkens, R.H, Sengupta, D, Marrink, S.-J, Thunnissen, A.-M, Poolman, B, Slotboom, D.-J.
Deposit date:2008-07-11
Release date:2009-03-31
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The structural basis for peptide selection by the transport receptor OppA
Embo J., 28, 2009
9BLW
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BU of 9blw by Molmil
Human amylin1 Receptor in complex with Gs and Cagrilintide backbone (non-acylated)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Cagrilintide backbone (non-acylated), Calcitonin receptor, ...
Authors:Cao, J, Belousoff, M.J, Sexton, P.M, Wootten, D.L.
Deposit date:2024-05-01
Release date:2025-04-16
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Human amylin1 Receptor in complex with Gs and Cagrilintide backbone (non-acylated)
To Be Published
9BLC
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BU of 9blc by Molmil
Human Calcitonin Receptor in Complex with Gs and Cagrilintide Backbone (non-acylated) in CT-like conformation
Descriptor: Cagrilintide backbone (non-acylated), Calcitonin receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Cao, J, Belousoff, M.J, Wootten, D.L, Sexton, P.M.
Deposit date:2024-04-30
Release date:2025-04-16
Last modified:2025-05-28
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Human Calcitonin Receptor in Complex with Gs and Cagrilintide Backbone (non-acylated) in CT-like conformation
To Be Published
9BUE
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BU of 9bue by Molmil
Human calcitonin Receptor in complex with Gs and cagrilintide in the CT-like conformation (repeat)
Descriptor: Cagrilintide, Calcitonin receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Cao, J, Belousoff, M.J, Johnson, R.M, Sexton, P.M, Wootten, D.L.
Deposit date:2024-05-16
Release date:2025-04-16
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Human Amylin1 Receptor in complex with Gs and cagrilintide
To Be Published
9BTW
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BU of 9btw by Molmil
Human Amylin3 Receptor in complex with Gs and cagrilintide
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Cagrilintide, Calcitonin receptor, ...
Authors:Cao, J, Belousoff, M.J, Johnson, R.M, Sexton, P.M, Wootten, D.L.
Deposit date:2024-05-15
Release date:2025-04-16
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Human Amylin3 Receptor in complex with Gs and cagrilintide
To Be Published
3DIN
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BU of 3din by Molmil
Crystal structure of the protein-translocation complex formed by the SecY channel and the SecA ATPase
Descriptor: ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, MAGNESIUM ION, ...
Authors:Zimmer, J, Nam, Y, Rapoport, T.A.
Deposit date:2008-06-20
Release date:2008-10-07
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (4.5 Å)
Cite:Structure of a complex of the ATPase SecA and the protein-translocation channel.
Nature, 455, 2008
9BLB
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BU of 9blb by Molmil
Human Calcitonin Receptor in Complex with Gs and Cagrilintide Backbone (non-acylated) in bypass conformation
Descriptor: Cagrilintide backbone (non-acylated), Calcitonin receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Cao, J, Belousoff, M.J, Wootten, D.L, Sexton, P.M.
Deposit date:2024-04-30
Release date:2025-04-16
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Human Calcitonin Receptor in Complex with Gs and Cagrilintide Backbone (non-acylated) in bypass conformation
To Be Published
9BUB
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BU of 9bub by Molmil
Human calcitonin Receptor in complex with Gs and cagrilintide in the bypass conformation
Descriptor: (2S)-2-{[(1R)-1-hydroxyhexadecyl]oxy}-3-{[(1R)-1-hydroxyoctadecyl]oxy}propyl 2-(trimethylammonio)ethyl phosphate, Cagrilintide, Calcitonin receptor, ...
Authors:Cao, J, Belousoff, M.J, Johnson, R.M, Sexton, P.M, Wootten, D.L.
Deposit date:2024-05-16
Release date:2025-04-23
Last modified:2025-04-30
Method:ELECTRON MICROSCOPY (2.3 Å)
Cite:Structural and dynamic features of cagrilintide binding to calcitonin and amylin receptors.
Nat Commun, 16, 2025
6U61
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BU of 6u61 by Molmil
BRD2-BD1 in complex with the cyclic peptide 3.1_3
Descriptor: Bromodomain-containing protein 2, ZINC ION, cyclic peptide 3.1_3
Authors:Patel, K, Walshe, J.L, Walport, L.J, Mackay, J.P.
Deposit date:2019-08-28
Release date:2020-08-19
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Cyclic peptides can engage a single binding pocket through highly divergent modes.
Proc.Natl.Acad.Sci.USA, 117, 2020

238582

数据于2025-07-09公开中

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