5NVV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5nvv by Molmil](/molmil-images/mine/5nvv) | pVHL:EloB:EloC in complex with (2S,4R)-4-hydroxy-1-((S)-2-(2-hydroxyacetamido)-3,3-dimethylbutanoyl)-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide (ligand 3) | Descriptor: | (2~{S},4~{R})-1-[(2~{S})-3,3-dimethyl-2-(2-oxidanylethanoylamino)butanoyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ... | Authors: | Gadd, M.S, Soares, P, Galdeano, C, Ciulli, A. | Deposit date: | 2017-05-04 | Release date: | 2017-09-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Group-Based Optimization of Potent and Cell-Active Inhibitors of the von Hippel-Lindau (VHL) E3 Ubiquitin Ligase: Structure-Activity Relationships Leading to the Chemical Probe (2S,4R)-1-((S)-2-(1-Cyanocyclopropanecarboxamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide (VH298). J. Med. Chem., 61, 2018
|
|
5NW2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5nw2 by Molmil](/molmil-images/mine/5nw2) | pVHL:EloB:EloC in complex with (2S,4R)-1-((S)-3,3-dimethyl-2-(oxetane-3-carboxamido)butanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide (ligand 19) | Descriptor: | (2~{S},4~{R})-1-[(2~{S})-3,3-dimethyl-2-(oxetan-3-ylcarbonylamino)butanoyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ... | Authors: | Gadd, M.S, Soares, P, Ciulli, A. | Deposit date: | 2017-05-04 | Release date: | 2017-09-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Group-Based Optimization of Potent and Cell-Active Inhibitors of the von Hippel-Lindau (VHL) E3 Ubiquitin Ligase: Structure-Activity Relationships Leading to the Chemical Probe (2S,4R)-1-((S)-2-(1-Cyanocyclopropanecarboxamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide (VH298). J. Med. Chem., 61, 2018
|
|
6UKU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6uku by Molmil](/molmil-images/mine/6uku) | STING C-terminal Domain Complexed with Non-cyclic Dinucleotide Compound 3 | Descriptor: | 4,4'-[propane-1,3-diylbis(6-methoxy-1-benzothiene-5,2-diyl)]bis(4-oxobutanoic acid), fusion protein of Ubiquitin-like protein SMT3 and Stimulator of interferon protein c-terminal domain | Authors: | Lesburg, C.A. | Deposit date: | 2019-10-06 | Release date: | 2020-08-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | An orally available non-nucleotide STING agonist with antitumor activity. Science, 369, 2020
|
|
6UL0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ul0 by Molmil](/molmil-images/mine/6ul0) | STING C-terminal Domain Complexed with Non-cyclic Dinucleotide Compound 4 | Descriptor: | 4-{5-[(1Z)-3-{[2-(3-carboxypropanoyl)-6-methoxy-1-benzothiophen-5-yl]oxy}prop-1-en-1-yl]-6-methoxy-1-benzothiophen-2-yl}-4-oxobutanoic acid, fusion protein of Ubiquitin-like protein SMT3 and Stimulator of interferon protein c-terminal domain | Authors: | Lesburg, C.A. | Deposit date: | 2019-10-06 | Release date: | 2020-08-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | An orally available non-nucleotide STING agonist with antitumor activity. Science, 369, 2020
|
|
6UKV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ukv by Molmil](/molmil-images/mine/6ukv) | STING C-terminal Domain Complexed with Non-cyclic Dinucleotide Compound 9 | Descriptor: | 4-[6-(3-{[2-(3-carboxypropanoyl)-6-methoxy-1-benzothiophen-5-yl]oxy}propoxy)-5-methoxy-1-benzothiophen-2-yl]-4-oxobutanoic acid, fusion protein of Ubiquitin-like protein SMT3 and Stimulator of interferon protein c-terminal domain | Authors: | Lesburg, C.A. | Deposit date: | 2019-10-06 | Release date: | 2020-08-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | An orally available non-nucleotide STING agonist with antitumor activity. Science, 369, 2020
|
|
5O6T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5o6t by Molmil](/molmil-images/mine/5o6t) | BIRC4 RING in complex with dimeric ubiquitin variant | Descriptor: | 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase XIAP, Polyubiquitin-B, ... | Authors: | Gabrielsen, M, Buetow, L, Huang, D.T. | Deposit date: | 2017-06-07 | Release date: | 2017-11-01 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | A General Strategy for Discovery of Inhibitors and Activators of RING and U-box E3 Ligases with Ubiquitin Variants. Mol. Cell, 68, 2017
|
|
5OE7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5oe7 by Molmil](/molmil-images/mine/5oe7) | |
5WFI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5wfi by Molmil](/molmil-images/mine/5wfi) | |
6UKX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ukx by Molmil](/molmil-images/mine/6ukx) | STING C-terminal Domain Complexed with Non-cyclic Dinucleotide Compound 11 | Descriptor: | 4,4'-{propane-1,3-diylbis[oxy(5-methoxy-1-benzothiene-6,2-diyl)]}bis(4-oxobutanoic acid), fusion protein of Ubiquitin-like protein SMT3 and Stimulator of interferon protein c-terminal domain | Authors: | Lesburg, C.A. | Deposit date: | 2019-10-06 | Release date: | 2020-08-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | An orally available non-nucleotide STING agonist with antitumor activity. Science, 369, 2020
|
|
6UKZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ukz by Molmil](/molmil-images/mine/6ukz) | STING C-terminal Domain Complexed with Non-cyclic Dinucleotide Compound 6 | Descriptor: | 4-[5-(2-{[2-(3-carboxypropanoyl)-4-fluoro-6-methoxy-1-benzothiophen-5-yl]oxy}ethoxy)-6-methoxy-1-benzothiophen-2-yl]-4-oxobutanoic acid, fusion protein of Ubiquitin-like protein SMT3 and Stimulator of interferon protein c-terminal domain | Authors: | Lesburg, C.A. | Deposit date: | 2019-10-06 | Release date: | 2020-08-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | An orally available non-nucleotide STING agonist with antitumor activity. Science, 369, 2020
|
|
6UKY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6uky by Molmil](/molmil-images/mine/6uky) | STING C-terminal Domain Complexed with Non-cyclic Dinucleotide Compound 12 | Descriptor: | 4-(6-{3-[2-(3-carboxypropanoyl)-6-methoxy-1-benzothiophen-4-yl]propyl}-5-methoxy-1-benzothiophen-2-yl)-4-oxobutanoic acid, fusion protein of Ubiquitin-like protein SMT3 and Stimulator of interferon protein c-terminal domain | Authors: | Lesburg, C.A. | Deposit date: | 2019-10-06 | Release date: | 2020-08-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | An orally available non-nucleotide STING agonist with antitumor activity. Science, 369, 2020
|
|
6UKW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ukw by Molmil](/molmil-images/mine/6ukw) | STING C-terminal Domain Complexed with Non-cyclic Dinucleotide Compound 10 | Descriptor: | 4-[6-(3-{[2-(3-carboxypropanoyl)-4-fluoro-6-methoxy-1-benzothiophen-5-yl]oxy}propoxy)-5-methoxy-1-benzothiophen-2-yl]-4-oxobutanoic acid, fusion protein of Ubiquitin-like protein SMT3 and Stimulator of interferon protein c-terminal domain | Authors: | Lesburg, C.A. | Deposit date: | 2019-10-06 | Release date: | 2020-08-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | An orally available non-nucleotide STING agonist with antitumor activity. Science, 369, 2020
|
|
5W8U
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5w8u by Molmil](/molmil-images/mine/5w8u) | Crystal structure of MERS-CoV papain-like protease in complex with the C-terminal domain of human ISG15 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ORF1ab, Ubiquitin-like protein ISG15, ... | Authors: | Daczkowski, C.M, Goodwin, O.Y, Dzimianski, J.D, Pegan, S.D. | Deposit date: | 2017-06-22 | Release date: | 2017-09-27 | Last modified: | 2024-04-24 | Method: | X-RAY DIFFRACTION (2.411 Å) | Cite: | Structurally Guided Removal of DeISGylase Biochemical Activity from Papain-Like Protease Originating from Middle East Respiratory Syndrome Coronavirus. J. Virol., 91, 2017
|
|
5OHN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ohn by Molmil](/molmil-images/mine/5ohn) | |
6TUV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6tuv by Molmil](/molmil-images/mine/6tuv) | |
6UD0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ud0 by Molmil](/molmil-images/mine/6ud0) | Solution-state NMR structural ensemble of human Tsg101 UEV in complex with K63-linked diubiquitin | Descriptor: | Tumor susceptibility gene 101 protein, Ubiquitin | Authors: | Strickland, M, Watanabe, S, Bonn, S.M, Camara, C.M, Fushman, D, Carter, C.A, Tjandra, N. | Deposit date: | 2019-09-18 | Release date: | 2021-03-17 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Tsg101/ESCRT-I Recruitment Regulated by the Dual Binding Modes of K63-Linked Diubiquitin Structure, 2021
|
|
5W8T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5w8t by Molmil](/molmil-images/mine/5w8t) | Crystal structure of MERS-CoV papain-like protease in complex with the C-terminal domain of human ISG15 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ORF1ab, Ubiquitin-like protein ISG15, ... | Authors: | Daczkowski, C.M, Goodwin, O.Y, Dzimianski, J.V, Farhat, J.J, Pegan, S.D. | Deposit date: | 2017-06-22 | Release date: | 2017-09-27 | Last modified: | 2024-04-24 | Method: | X-RAY DIFFRACTION (2.758 Å) | Cite: | Structurally Guided Removal of DeISGylase Biochemical Activity from Papain-Like Protease Originating from Middle East Respiratory Syndrome Coronavirus. J. Virol., 91, 2017
|
|
6SIS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6sis by Molmil](/molmil-images/mine/6sis) | Crystal structure of macrocyclic PROTAC 1 in complex with the second bromodomain of human Brd4 and pVHL:ElonginC:ElonginB | Descriptor: | Bromodomain-containing protein 4, Elongin-B, Elongin-C, ... | Authors: | Hughes, S.J, Testa, A, Ciulli, A. | Deposit date: | 2019-08-10 | Release date: | 2019-12-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Structure-Based Design of a Macrocyclic PROTAC. Angew.Chem.Int.Ed.Engl., 59, 2020
|
|
6VAF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6vaf by Molmil](/molmil-images/mine/6vaf) | |
5V1Z
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5v1z by Molmil](/molmil-images/mine/5v1z) | Crystal structure of the RPN13 PRU-RPN2 (932-953)-ubiquitin complex | Descriptor: | 26S proteasome non-ATPase regulatory subunit 1, Proteasomal ubiquitin receptor ADRM1, Ubiquitin | Authors: | Hemmis, C.W, VanderLinden, R.T, Yao, T, Robinson, H, Hill, C.P. | Deposit date: | 2017-03-02 | Release date: | 2017-05-03 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure and energetics of pairwise interactions between proteasome subunits RPN2, RPN13, and ubiquitin clarify a substrate recruitment mechanism. J. Biol. Chem., 292, 2017
|
|
6UPU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6upu by Molmil](/molmil-images/mine/6upu) | |
6TNF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6tnf by Molmil](/molmil-images/mine/6tnf) | Structure of monoubiquitinated FANCD2 in complex with FANCI and DNA | Descriptor: | DNA (33-MER), FANCD2, Fanconi anemia complementation group I, ... | Authors: | Alcon, P, Shakeel, S, Passmore, L.A. | Deposit date: | 2019-12-07 | Release date: | 2020-02-19 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | FANCD2-FANCI is a clamp stabilized on DNA by monoubiquitination of FANCD2 during DNA repair. Nat.Struct.Mol.Biol., 27, 2020
|
|
5NVX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5nvx by Molmil](/molmil-images/mine/5nvx) | pVHL:EloB:EloC in complex with (2S,4R)-1-((S)-2-(1-fluorocyclopropanecarboxamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide (ligand 10) | Descriptor: | Elongin-B, Elongin-C, N-[(1-fluorocyclopropyl)carbonyl]-3-methyl-L-valyl-(4R)-4-hydroxy-N-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-L-prolinamide, ... | Authors: | Gadd, M.S, Soares, P, Galdeano, C, Ciulli, A. | Deposit date: | 2017-05-04 | Release date: | 2017-09-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Group-Based Optimization of Potent and Cell-Active Inhibitors of the von Hippel-Lindau (VHL) E3 Ubiquitin Ligase: Structure-Activity Relationships Leading to the Chemical Probe (2S,4R)-1-((S)-2-(1-Cyanocyclopropanecarboxamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide (VH298). J. Med. Chem., 61, 2018
|
|
6UYI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6uyi by Molmil](/molmil-images/mine/6uyi) | hRpn13:hRpn2:K48-diubiquitin | Descriptor: | 26S proteasome non-ATPase regulatory subunit 1, Proteasomal ubiquitin receptor ADRM1, Ubiquitin | Authors: | Lu, X, Walters, K.J. | Deposit date: | 2019-11-13 | Release date: | 2020-03-11 | Last modified: | 2022-03-16 | Method: | SOLUTION NMR | Cite: | An Extended Conformation for K48 Ubiquitin Chains Revealed by the hRpn2:Rpn13:K48-Diubiquitin Structure. Structure, 28, 2020
|
|
5WVO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5wvo by Molmil](/molmil-images/mine/5wvo) | Crystal structure of DNMT1 RFTS domain in complex with K18/K23 mono-ubiquitylated histone H3 | Descriptor: | DNA (cytosine-5)-methyltransferase 1, Histone H3.1, Ubiquitin, ... | Authors: | Ishiyama, S, Nishiyama, A, Nakanishi, M, Arita, K. | Deposit date: | 2016-12-28 | Release date: | 2017-11-15 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.997 Å) | Cite: | Structure of the Dnmt1 Reader Module Complexed with a Unique Two-Mono-Ubiquitin Mark on Histone H3 Reveals the Basis for DNA Methylation Maintenance Mol. Cell, 68, 2017
|
|