8FID
| Crystal Structure of Erwinia tracheiphila CYP114 in complex with ent-kaurenoic acid (Crystal Form 2) | Descriptor: | (8alpha,9beta,10alpha,13alpha)-kaur-16-en-18-oic acid, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Stewart Jr, C.E, Nagel, R. | Deposit date: | 2022-12-16 | Release date: | 2023-07-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Dual factors required for cytochrome-P450-mediated hydrocarbon ring contraction in bacterial gibberellin phytohormone biosynthesis. Proc.Natl.Acad.Sci.USA, 120, 2023
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8FY7
| SARS-CoV-2 main protease in complex with covalent inhibitor | Descriptor: | 3C-like proteinase nsp5, 4-methoxy-N-[(2S)-4-methyl-1-oxo-1-({(2S)-1-[(3S)-2-oxopyrrolidin-3-yl]but-3-en-2-yl}amino)pentan-2-yl]-1H-indole-2-carboxamide | Authors: | Fried, W, Chen, X.S. | Deposit date: | 2023-01-25 | Release date: | 2023-08-30 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Alkyne as a Latent Warhead to Covalently Target SARS-CoV-2 Main Protease. J.Med.Chem., 66, 2023
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8FAI
| Cryo-EM structure of the Agrobacterium T-pilus | Descriptor: | (7Z,19R,22S,25R)-22,25,26-trihydroxy-16,22-dioxo-17,21,23-trioxa-22lambda~5~-phosphahexacos-7-en-19-yl (9Z)-octadec-9-enoate, Protein virB2 | Authors: | Kreida, S, Narita, A, Johnson, M.D, Tocheva, E.I, Das, A, Jensen, G.J, Ghosal, D. | Deposit date: | 2022-11-27 | Release date: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Cryo-EM structure of the Agrobacterium tumefaciens T4SS-associated T-pilus reveals stoichiometric protein-phospholipid assembly. Structure, 31, 2023
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8GT6
| human STING With agonist HB3089 | Descriptor: | 1-[(2E)-4-{5-carbamoyl-2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-7-[3-(morpholin-4-yl)propoxy]-1H-benzimidazol-1-yl}but-2-en-1-yl]-2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-7-methyl-1H-furo[3,2-e]benzimidazole-5-carboxamide, Stimulator of interferon genes protein | Authors: | Wang, Z, Yu, X. | Deposit date: | 2022-09-07 | Release date: | 2022-12-28 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.47 Å) | Cite: | Structural insights into a shared mechanism of human STING activation by a potent agonist and an autoimmune disease-associated mutation. Cell Discov, 8, 2022
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8FIC
| Crystal Structure of Erwinia tracheiphila CYP114 in complex with ent-kaurenoic acid (Crystal Form 1) | Descriptor: | (8alpha,9beta,10alpha,13alpha)-kaur-16-en-18-oic acid, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Stewart Jr, C.E, Nagel, R. | Deposit date: | 2022-12-16 | Release date: | 2023-07-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Dual factors required for cytochrome-P450-mediated hydrocarbon ring contraction in bacterial gibberellin phytohormone biosynthesis. Proc.Natl.Acad.Sci.USA, 120, 2023
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8GK3
| Cytochrome P450 3A7 in complex with Dehydroepiandrosterone sulfate | Descriptor: | 17-oxoandrost-5-en-3beta-yl hydrogen sulfate, Cytochrome P450 3A7, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Liu, J, Scott, E.E. | Deposit date: | 2023-03-16 | Release date: | 2023-07-26 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Human cytochrome P450 3A7 binding four copies of its native substrate dehydroepiandrosterone 3-sulfate. J.Biol.Chem., 299, 2023
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8GLE
| Crystal Structure of Human CD1b in Complex with Lysosulfatide | Descriptor: | (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl 3-O-sulfo-beta-D-galactopyranoside, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Shahine, A. | Deposit date: | 2023-03-22 | Release date: | 2023-09-20 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | CD1 lipidomes reveal lipid-binding motifs and size-based antigen-display mechanisms. Cell, 186, 2023
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8G6F
| Structure of the Plasmodium falciparum 20S proteasome beta-6 A117D mutant complexed with inhibitor WLW-vs | Descriptor: | (2S)-N-[(E,2S)-1-(1H-indol-3-yl)-4-methylsulfonyl-but-3-en-2-yl]-2-[[(2S)-3-(1H-indol-3-yl)-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]-4-methyl-pentanamide, Proteasome endopeptidase complex, Proteasome subunit alpha type-1, ... | Authors: | Hsu, H.-C, Li, H. | Deposit date: | 2023-02-15 | Release date: | 2023-12-20 | Last modified: | 2024-01-03 | Method: | ELECTRON MICROSCOPY (2.58 Å) | Cite: | Structures revealing mechanisms of resistance and collateral sensitivity of Plasmodium falciparum to proteasome inhibitors. Nat Commun, 14, 2023
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8SMR
| cytochrome bc1-cbb3 supercomplex from Pseudomonas aeruginosa | Descriptor: | (2R)-2-(methoxymethyl)-4-{[(25R)-spirost-5-en-3beta-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside, CALCIUM ION, COPPER (II) ION, ... | Authors: | Di Trani, J.M, Rubinstein, J.L. | Deposit date: | 2023-04-26 | Release date: | 2023-10-11 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Structure of the bc 1 - cbb 3 respiratory supercomplex from Pseudomonas aeruginosa. Proc.Natl.Acad.Sci.USA, 120, 2023
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8SNH
| cytochrome bc1-cbb3 supercomplex from Pseudomonas aeruginosa | Descriptor: | (2R)-2-(methoxymethyl)-4-{[(25R)-spirost-5-en-3beta-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside, CALCIUM ION, COPPER (II) ION, ... | Authors: | Di Trani, J.M, Rubinstein, J.L. | Deposit date: | 2023-04-27 | Release date: | 2023-10-11 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Structure of the bc 1 - cbb 3 respiratory supercomplex from Pseudomonas aeruginosa. Proc.Natl.Acad.Sci.USA, 120, 2023
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8T6L
| Cryo-EM structure of rat cardiac sodium channel NaV1.5 with batrachotoxin analog BTX-B | Descriptor: | (1R)-1-[(5aR,7aR,9R,11aS,11bS,12R,13aR)-9,12-dihydroxy-2,11a-dimethyl-1,2,3,4,7a,8,9,10,11,11a,12,13-dodecahydro-7H-9,11b-epoxy-13a,5a-prop[1]enophenanthro[2,1-f][1,4]oxazepin-14-yl]ethyl benzoate, (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, ... | Authors: | Tonggu, L, Wisedchaisri, G, Gamal El-Din, T.M, Zheng, N, Catterall, W.A. | Deposit date: | 2023-06-16 | Release date: | 2024-03-06 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Dual receptor-sites reveal the structural basis for hyperactivation of sodium channels by poison-dart toxin batrachotoxin. Nat Commun, 15, 2024
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8SSI
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8T4Z
| T-cell receptor and lipid complex structure | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d1, Beta-2-microglobulin, ... | Authors: | Praveena, T, Rossjohn, J. | Deposit date: | 2023-06-12 | Release date: | 2024-08-07 | Last modified: | 2024-09-04 | Method: | X-RAY DIFFRACTION (2.691 Å) | Cite: | Lipidomic scanning of self-lipids identifies headless antigens for natural killer T cells. Proc.Natl.Acad.Sci.USA, 121, 2024
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8ST7
| Structure of E3 ligase VsHECT bound to ubiquitin | Descriptor: | E3 ubiquitin-protein ligase SopA-like catalytic domain-containing protein, Ubiquitin, prop-2-en-1-amine | Authors: | Franklin, T.G, Pruneda, J.N. | Deposit date: | 2023-05-09 | Release date: | 2023-07-12 | Last modified: | 2024-01-03 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | Bacterial ligases reveal fundamental principles of polyubiquitin specificity. Mol.Cell, 83, 2023
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8ST9
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8ST8
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8STH
| human STING with diABZI agonist 15 | Descriptor: | 1-[(2E)-4-{5-carbamoyl-2-[(4-ethyl-2-methyl-1,3-oxazole-5-carbonyl)amino]-7-(3-hydroxypropoxy)-1H-benzimidazol-1-yl}but-2-en-1-yl]-2-[(4-ethyl-2-methyl-1,3-oxazole-5-carbonyl)amino]-7-methoxy-1H-benzimidazole-5-carboxamide, Stimulator of interferon genes protein | Authors: | Duvall, J.R, Bukhalid, R.A. | Deposit date: | 2023-05-10 | Release date: | 2023-07-26 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Discovery and Optimization of a STING Agonist Platform for Application in Antibody Drug Conjugates. J.Med.Chem., 66, 2023
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8STI
| human STING with agonist XMT-1616 | Descriptor: | 3-[(2E)-4-{5-carbamoyl-2-[(4-ethyl-2-methyl-1,3-oxazole-5-carbonyl)amino]-7-(3-hydroxypropoxy)-1H-benzimidazol-1-yl}but-2-en-1-yl]-2-[(4-ethyl-2-methyl-1,3-oxazole-5-carbonyl)amino]-3H-imidazo[4,5-b]pyridine-6-carboxamide, Stimulator of interferon genes protein | Authors: | Duvall, J.R, Bukhalid, R.A. | Deposit date: | 2023-05-10 | Release date: | 2023-07-26 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Discovery and Optimization of a STING Agonist Platform for Application in Antibody Drug Conjugates. J.Med.Chem., 66, 2023
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8R67
| tubulin-cryptophycin complex | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-[(3~{S},10~{R},13~{E},16~{S})-10-[(3-chloranyl-4-methoxy-phenyl)methyl]-6,6-dimethyl-2,5,9,12-tetrakis(oxidanylidene)-16-[(1~{S})-1-[(2~{R},3~{R})-3-phenyloxiran-2-yl]ethyl]-1,4-dioxa-8,11-diazacyclohexadec-13-en-3-yl]ethanoic acid, CALCIUM ION, ... | Authors: | Abel, A.C, Muehlethaler, T, Dessin, C, Steinmetz, M.O, Sewald, N, Prota, A.E. | Deposit date: | 2023-11-21 | Release date: | 2024-05-22 | Last modified: | 2024-06-12 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Bridging the maytansine and vinca sites: Cryptophycins target beta-tubulin's T5-loop. J.Biol.Chem., 300, 2024
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8TWY
| Structure of PIK3CA with covalent inhibitor ALO26 | Descriptor: | 1-(4-{[2-(4-{(4P)-4-[2-amino-4-(difluoromethyl)pyrimidin-5-yl]-6-[(3S)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl}piperazin-1-yl)-2-oxoethoxy]methyl}piperidin-1-yl)prop-2-en-1-one, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Burke, J.E, Barlow-Busch, I. | Deposit date: | 2023-08-21 | Release date: | 2024-08-28 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (2.67 Å) | Cite: | Structure of PIK3CA with covalent inhibitor ALO26 To Be Published
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8V4P
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8V15
| Human SIRT3 bound to p53-AMC peptide, Carba-NAD, and Honokiol | Descriptor: | (1P)-3',5-di(prop-2-en-1-yl)[1,1'-biphenyl]-2,4'-diol, CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE, GLN-PRO-LYS-FDL, ... | Authors: | Chakrabarti, R, Ghosh, A, Guan, X, Upadhyay, A, Dumpati, R.K, Munshi, S, Roy, S, Chall, S, Rahnamoun, A, Reverdy, C, Errasti, G, Delacroix, T. | Deposit date: | 2023-11-19 | Release date: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Computationally Driven Discovery and Characterization of SIRT3 Activating Compounds that Fully Recover Catalytic Activity under NAD+ Depletion biorxiv, 2023
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8VC1
| CryoEM structure of insect gustatory receptor BmGr9 | Descriptor: | (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, (7S)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE, ... | Authors: | Frank, H.M, Walsh Jr, R.M, Garrity, P.A, Gaudet, R. | Deposit date: | 2023-12-13 | Release date: | 2024-01-10 | Last modified: | 2024-01-24 | Method: | ELECTRON MICROSCOPY (2.85 Å) | Cite: | Structure of an insect gustatory receptor. Biorxiv, 2023
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8SX8
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8SX7
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