8RTZ
 
 | | The structure of E. coli penicillin binding protein 3 (PBP3) in complex with a bicyclic peptide inhibitor | | Descriptor: | 1,1',1''-(1,3,5-triazinane-1,3,5-triyl)tripropan-1-one, Bicyclic peptide inhibitor, Peptidoglycan D,D-transpeptidase FtsI | | Authors: | Newman, H, Rowland, C.E, Dods, R, Lewis, N, Stanway, S.J, Bellini, D, Beswick, P. | | Deposit date: | 2024-01-29 | | Release date: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | Discovery and chemical optimisation of a Potent, Bi-cyclic (Bicycle) Antimicrobial Inhibitor of Escherichia coli PBP3
To Be Published
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8VK3
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8VK4
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8VJJ
 | | Structure of mouse RyR1 (EGTA-only dataset) | | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Peptidyl-prolyl cis-trans isomerase FKBP1A, Ryanodine receptor 1, ... | | Authors: | Weninger, G, Marks, A.R. | | Deposit date: | 2024-01-07 | | Release date: | 2024-01-17 | | Method: | ELECTRON MICROSCOPY (2.53 Å) | | Cite: | Structural insights into the regulation of RyR1 by S100A1.
To Be Published
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8VJK
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8XMO
 | | Voltage-gated sodium channel Nav1.7 variant M4 | | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Yan, N, Li, Z, Wu, Q, Huang, G. | | Deposit date: | 2023-12-27 | | Release date: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.39 Å) | | Cite: | Dissection of the structure-function relationship of Na v channels.
Proc.Natl.Acad.Sci.USA, 121, 2024
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8XMM
 | | Voltage-gated sodium channel Nav1.7 variant M9 | | Descriptor: | (2S,3R,4E)-2-(acetylamino)-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ... | | Authors: | Yan, N, Li, Z, Wu, Q, Huang, G. | | Deposit date: | 2023-12-27 | | Release date: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (2.89 Å) | | Cite: | Dissection of the structure-function relationship of Na v channels.
Proc.Natl.Acad.Sci.USA, 121, 2024
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8XMN
 | | Voltage-gated sodium channel Nav1.7 variant M2 | | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Yan, N, Li, Z, Wu, Q, Huang, G. | | Deposit date: | 2023-12-27 | | Release date: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.37 Å) | | Cite: | Dissection of the structure-function relationship of Na v channels.
Proc.Natl.Acad.Sci.USA, 121, 2024
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8XJO
 | | U46619 bound Thromboxane A2 receptor-Gq Protein Complex | | Descriptor: | (5Z)-7-{(1R,4S,5S,6R)-6-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-2-oxabicyclo[2.2.1]hept-5-yl}hept-5-enoic acid, Antibody fragment scFv16, Engineered miniGq, ... | | Authors: | Zhang, X, Li, X, Liu, G, Gong, W. | | Deposit date: | 2023-12-21 | | Release date: | 2024-02-28 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3.11 Å) | | Cite: | Structural basis for ligand recognition and activation of the prostanoid receptors.
Cell Rep, 43, 2024
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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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8V88
 | | Alpha7-nicotinic acetylcholine receptor bound to epibatidine and GAT107 | | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, (3aR,4S,9bS)-4-(4-bromophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide, (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, ... | | Authors: | Burke, S.M, Noviello, C.M, Hibbs, R.E. | | Deposit date: | 2023-12-05 | | Release date: | 2024-02-21 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (2.3 Å) | | Cite: | Structural mechanisms of alpha 7 nicotinic receptor allosteric modulation and activation.
Cell, 187, 2024
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8V8A
 | | Alpha7-nicotinic acetylcholine receptor time resolved bound to epibatidine and PNU-120596 desensitized intermediate state | | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Burke, S.M, Noviello, C.M, Hibbs, R.E. | | Deposit date: | 2023-12-05 | | Release date: | 2024-02-21 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (2.19 Å) | | Cite: | Structural mechanisms of alpha 7 nicotinic receptor allosteric modulation and activation.
Cell, 187, 2024
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8V89
 | | Alpha7-nicotinic acetylcholine receptor time resolved resting state | | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Burke, S.M, Noviello, C.M, Hibbs, R.E. | | Deposit date: | 2023-12-05 | | Release date: | 2024-02-21 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (2.53 Å) | | Cite: | Structural mechanisms of alpha 7 nicotinic receptor allosteric modulation and activation.
Cell, 187, 2024
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8XAJ
 | | Cryo-EM structure of OSCA1.2-liposome-inside-in open state | | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Calcium permeable stress-gated cation channel 1 | | Authors: | Zhang, Y, Han, Y. | | Deposit date: | 2023-12-04 | | Release date: | 2024-04-10 | | Last modified: | 2024-04-17 | | Method: | ELECTRON MICROSCOPY (3.29 Å) | | Cite: | Mechanical activation opens a lipid-lined pore in OSCA ion channels.
Nature, 2024
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8V86
 | | Alpha7-nicotinic acetylcholine receptor bound to GAT107 | | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, (3aR,4S,9bS)-4-(4-bromophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide, (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, ... | | Authors: | Burke, S.M, Noviello, C.M, Hibbs, R.E. | | Deposit date: | 2023-12-04 | | Release date: | 2024-02-21 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (2.47 Å) | | Cite: | Structural mechanisms of alpha 7 nicotinic receptor allosteric modulation and activation.
Cell, 187, 2024
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8V82
 | | Alpha7-nicotinic acetylcholine receptor bound to epibatidine and PNU-120596 | | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Burke, S.M, Noviello, C.M, Hibbs, R.E. | | Deposit date: | 2023-12-04 | | Release date: | 2024-02-21 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (2.61 Å) | | Cite: | Structural mechanisms of alpha 7 nicotinic receptor allosteric modulation and activation.
Cell, 187, 2024
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8V80
 | | Alpha7-nicotinic acetylcholine receptor bound to epibatidine and (-)-TQS | | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, (3aR,4S,9bS)-4-(naphthalen-1-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide, (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, ... | | Authors: | Burke, S.M, Noviello, C.M, Hibbs, R.E. | | Deposit date: | 2023-12-04 | | Release date: | 2024-02-21 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (2.34 Å) | | Cite: | Structural mechanisms of alpha 7 nicotinic receptor allosteric modulation and activation.
Cell, 187, 2024
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8V4P
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8X6R
 | | KRasG12C in complex with inhibitor | | Descriptor: | 1-[7-[6-ethenyl-8-ethoxy-7-(5-methyl-1~{H}-indazol-4-yl)-2-(1-methylpiperidin-4-yl)oxy-quinazolin-4-yl]-2,7-diazaspiro[3.5]nonan-2-yl]propan-1-one, GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, ... | | Authors: | Amano, Y, Tateishi, Y. | | Deposit date: | 2023-11-21 | | Release date: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Discovery of ASP6918, a KRAS G12C inhibitor: Synthesis and structure-activity relationships of 1-{2,7-diazaspiro[3.5]non-2-yl}prop-2-en-1-one derivatives as covalent inhibitors with good potency and oral activity for the treatment of solid tumors.
Bioorg.Med.Chem., 98, 2023
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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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8UZJ
 | | Alpha7-nicotinic acetylcholine receptor bound to epibatidine and ivermectin | | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, (2aE,4E,5'S,6S,6'R,7S,8E,11R,13R,15S,17aR,20R,20aR,20bS)-6'-[(2S)-butan-2-yl]-20,20b-dihydroxy-5',6,8,19-tetramethyl-17 -oxo-3',4',5',6,6',10,11,14,15,17,17a,20,20a,20b-tetradecahydro-2H,7H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacy clooctadecine-13,2'-pyran]-7-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)-3-O-methyl-alpha-L-arabino-hexopyranoside, (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, ... | | Authors: | Burke, S.M, Noviello, C.M, Hibbs, R.E. | | Deposit date: | 2023-11-15 | | Release date: | 2024-02-21 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (2.3 Å) | | Cite: | Structural mechanisms of alpha 7 nicotinic receptor allosteric modulation and activation.
Cell, 187, 2024
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8UU5
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8UU9
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8UU8
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8UU4
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