8CZW
| Structure of SARS-CoV-2 3CL protease in complex with the cyclopropane based inhibitor 15d | Descriptor: | 3C-like proteinase, TETRAETHYLENE GLYCOL, [(1~{S},2~{R})-2-cyclohexylcyclopropyl]methyl ~{N}-[(2~{S})-1-[[(1~{R},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate, ... | Authors: | Machen, A.J, Lovell, S, Battaile, K.P, Nguyen, H.N, Chamandi, S.D, Picard, H.R, Madden, T.K, Thruman, H.A, Kim, Y, Groutas, W.C, Chang, K.O. | Deposit date: | 2022-05-25 | Release date: | 2022-06-22 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Broad-Spectrum Cyclopropane-Based Inhibitors of Coronavirus 3C-like Proteases: Biochemical, Structural, and Virological Studies. Acs Pharmacol Transl Sci, 6, 2023
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4GUP
| Structure of MHC-class I related molecule MR1 | Descriptor: | 2-amino-4-oxo-3,4-dihydropteridine-6-carbaldehyde, Beta-2-microglobulin, CHLORIDE ION, ... | Authors: | Patel, O, Le Nours, J, Rossjohn, J. | Deposit date: | 2012-08-29 | Release date: | 2012-10-17 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | MR1 presents microbial vitamin B metabolites to MAIT cells Nature, 491, 2012
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8GZ9
| Cryo-EM structure of Abeta2 fibril polymorph2 | Descriptor: | peptide self-assembled antimicrobial fibrils | Authors: | Xia, W.C, Zhang, M.M, Liu, C. | Deposit date: | 2022-09-26 | Release date: | 2023-09-20 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (2.62 Å) | Cite: | Engineering of antimicrobial peptide fibrils with feedback degradation of bacterial-secreted enzymes. Chem Sci, 14, 2023
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8GZ8
| Cryo-EM structure of Abeta2 fibril polymorph1 | Descriptor: | peptide self-assembled antimicrobial fibrils | Authors: | Xia, W.C, Zhang, M.M, Liu, C. | Deposit date: | 2022-09-26 | Release date: | 2023-09-20 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (2.35 Å) | Cite: | Engineering of antimicrobial peptide fibrils with feedback degradation of bacterial-secreted enzymes. Chem Sci, 14, 2023
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8GDA
| Cryo-EM Structure of the Prostaglandin E2 Receptor 4 Coupled to G Protein | Descriptor: | (2S,5R)-5-[(1E,3S)-4,4-difluoro-3-hydroxy-4-phenylbut-1-en-1-yl]-1-[6-(1H-tetrazol-5-yl)hexyl]pyrrolidin-2-ol, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ... | Authors: | Shenming, H, Mengyao, X, Lei, L, Jiangqian, M, Sheng, C, Jinpeng, S. | Deposit date: | 2023-03-03 | Release date: | 2024-01-10 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Single hormone or synthetic agonist induces G s /G i coupling selectivity of EP receptors via distinct binding modes and propagating paths. Proc.Natl.Acad.Sci.USA, 120, 2023
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8GDB
| Cryo-EM Structure of the Prostaglandin E2 Receptor 4 Coupled to G Protein | Descriptor: | (Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxo-cyclopentyl]hept-5-enoic acid, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ... | Authors: | Shenming, H, Mengyao, X, Lei, L, Jianqiang, M, Jinpeng, S. | Deposit date: | 2023-03-03 | Release date: | 2024-01-10 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Single hormone or synthetic agonist induces G s /G i coupling selectivity of EP receptors via distinct binding modes and propagating paths. Proc.Natl.Acad.Sci.USA, 120, 2023
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8GDC
| Cryo-EM Structure of the Prostaglandin E2 Receptor 3 Coupled to G Protein | Descriptor: | (Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxo-cyclopentyl]hept-5-enoic acid, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ... | Authors: | Shenming, H, Mengyao, X, Lei, L, Yang, D, Shiyi, G, Jinpeng, S. | Deposit date: | 2023-03-03 | Release date: | 2024-01-10 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Single hormone or synthetic agonist induces G s /G i coupling selectivity of EP receptors via distinct binding modes and propagating paths. Proc.Natl.Acad.Sci.USA, 120, 2023
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8GD9
| Cryo-EM Structure of the Prostaglandin E2 Receptor 4 Coupled to G Protein | Descriptor: | 4-({2-[(1R,2R,3R,5S)-3,5-dihydroxy-2-{(3S)-3-hydroxy-4-[3-(methoxymethyl)phenyl]butyl}cyclopentyl]ethyl}sulfanyl)butanoic acid, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ... | Authors: | Shenming, H, Mengyao, X, Lei, L, Yang, D, Sheng, C, Jinpeng, S. | Deposit date: | 2023-03-03 | Release date: | 2024-01-10 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Single hormone or synthetic agonist induces G s /G i coupling selectivity of EP receptors via distinct binding modes and propagating paths. Proc.Natl.Acad.Sci.USA, 120, 2023
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4FLH
| Crystal structure of human PI3K-gamma in complex with AMG511 | Descriptor: | 4-(2-[(5-fluoro-6-methoxypyridin-3-yl)amino]-5-{(1R)-1-[4-(methylsulfonyl)piperazin-1-yl]ethyl}pyridin-3-yl)-6-methyl-1,3,5-triazin-2-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | Authors: | Whittington, D.A, Tang, J, Yakowec, P. | Deposit date: | 2012-06-14 | Release date: | 2012-08-29 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Selective Class I Phosphoinositide 3-Kinase Inhibitors: Optimization of a Series of Pyridyltriazines Leading to the Identification of a Clinical Candidate, AMG 511. J.Med.Chem., 55, 2012
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6U9K
| MLL1 SET N3861I/Q3867L bound to inhibitor 18 (TC-5153) | Descriptor: | 5'-([(3S)-3-amino-3-carboxypropyl]{[1-(3,3-diphenylpropyl)azetidin-3-yl]methyl}amino)-5'-deoxyadenosine, GLYCEROL, Histone-lysine N-methyltransferase, ... | Authors: | Petrunak, E.M, Stuckey, J.A. | Deposit date: | 2019-09-09 | Release date: | 2020-07-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of Potent Small-Molecule Inhibitors of MLL Methyltransferase. Acs Med.Chem.Lett., 11, 2020
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8G3C
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8G3E
| Crystal structure of human WDR5 in complex with (1M)-N-[(3,5-difluoro[1,1'-biphenyl]-4-yl)methyl]-6-methyl-4-oxo-1-(pyridin-3-yl)-1,4-dihydropyridazine-3-carboxamide (compound 2, WDR5-MYC inhibitor) | Descriptor: | (1M)-N-[(3,5-difluoro[1,1'-biphenyl]-4-yl)methyl]-6-methyl-4-oxo-1-(pyridin-3-yl)-1,4-dihydropyridazine-3-carboxamide, WD repeat-containing protein 5 | Authors: | Zhao, M. | Deposit date: | 2023-02-07 | Release date: | 2023-06-28 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.33 Å) | Cite: | Discovery and Structure-Based Design of Inhibitors of the WD Repeat-Containing Protein 5 (WDR5)-MYC Interaction. J.Med.Chem., 66, 2023
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6VG7
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6E7H
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6VGA
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6VGB
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6EXE
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6EXC
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6VX3
| NaChBac in GDN | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, BH1501 protein | Authors: | Yan, N, Gao, S. | Deposit date: | 2020-02-21 | Release date: | 2020-06-24 | Last modified: | 2020-07-08 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Employing NaChBac for cryo-EM analysis of toxin action on voltage-gated Na+channels in nanodisc. Proc.Natl.Acad.Sci.USA, 117, 2020
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6EXA
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6EXD
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6W9U
| Structure of human MAIT A-F7 TCR in complex with patient MR1-R9H-Ac-6-FP | Descriptor: | 1-[[6-(1-$l^{1}-oxidanylethyl)-4-$l^{3}-oxidanylidene-2,3,6,8~{a}-tetrahydropteridin-2-yl]-$l^{2}-azanyl]ethanone, Beta-2-microglobulin, CHLORIDE ION, ... | Authors: | Awad, W, Rossjohn, J. | Deposit date: | 2020-03-23 | Release date: | 2020-08-05 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Absence of mucosal-associated invariant T cells in a person with a homozygous point mutation in MR1 . Sci Immunol, 5, 2020
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6VXO
| NaChBac-Nav1.7VSDII chimera in nanodisc | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, NaChBac-Nav1.7VSDII chimera | Authors: | Yan, N, Gao, S. | Deposit date: | 2020-02-22 | Release date: | 2020-06-24 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Employing NaChBac for cryo-EM analysis of toxin action on voltage-gated Na+channels in nanodisc. Proc.Natl.Acad.Sci.USA, 117, 2020
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6VWX
| NaChBac in lipid nanodisc | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, BH1501 protein, SODIUM ION | Authors: | Yan, N, Gao, S. | Deposit date: | 2020-02-20 | Release date: | 2020-06-24 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Employing NaChBac for cryo-EM analysis of toxin action on voltage-gated Na+channels in nanodisc. Proc.Natl.Acad.Sci.USA, 117, 2020
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6EXB
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