8VQY
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![BU of 8vqy by Molmil](/molmil-images/mine/8vqy) | Human GABAA receptor alpha1-beta2-gamma2 subtype in complex with GABA plus methaqualone | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-methyl-3-(2-methylphenyl)quinazolin-4(3H)-one, GAMMA-AMINO-BUTANOIC ACID, ... | Authors: | Chojnacka, W, Teng, J, Kim, J.J, Jensen, A.A, Hibbs, R.E. | Deposit date: | 2024-01-19 | Release date: | 2024-06-26 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (2.82 Å) | Cite: | Structural insights into GABA A receptor potentiation by Quaalude. Nat Commun, 15, 2024
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8VR3
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![BU of 8vr3 by Molmil](/molmil-images/mine/8vr3) | crystal structure of the Pcryo_0618 aminotransferase from Psychrobacter cryohalolentis K5 in the presence of its internal aldimine | Descriptor: | 1,2-ETHANEDIOL, 2,2'-(1,4-diazepane-1,4-diyl)di(ethane-1-sulfonic acid), CHLORIDE ION, ... | Authors: | Bockhaus, N.J, Thoden, J.B, Holden, H.M. | Deposit date: | 2024-01-20 | Release date: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Biochemical Investigation of the Enzymes Required for the Production of 2,3,4-triacetoamido-2,3,4-trideoxy-l-arabinose in Psychrobacter cryohalolentis K5 To Be Published
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8VR5
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![BU of 8vr5 by Molmil](/molmil-images/mine/8vr5) | crystal structure of the Pcryo_0618 aminotransferase from Psychrobacter cryohalolentis K5 in the presence of PMP and glutamate | Descriptor: | 1,2-ETHANEDIOL, 2,2'-(1,4-diazepane-1,4-diyl)di(ethane-1-sulfonic acid), 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, ... | Authors: | Bockhaus, N.J, Thoden, J.B, Holden, H.M. | Deposit date: | 2024-01-20 | Release date: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Biochemical Investigation of the Enzymes Required for the Production of 2,3,4-triacetoamido-2,3,4-trideoxy-l-arabinose in Psychrobacter cryohalolentis K5 To Be Published
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8VRH
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![BU of 8vrh by Molmil](/molmil-images/mine/8vrh) | E. coli peptidyl-prolyl cis-trans isomerase containing delta2-monofluoro-leucines | Descriptor: | 1,2-ETHANEDIOL, 3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL, DI(HYDROXYETHYL)ETHER, ... | Authors: | Frkic, R.L, Jackson, C.J. | Deposit date: | 2024-01-22 | Release date: | 2024-05-22 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Conformational Preferences of the Non-Canonical Amino Acids (2 S ,4 S )-5-Fluoroleucine, (2 S ,4 R )-5-Fluoroleucine, and 5,5'-Difluoroleucine in a Protein. Biochemistry, 63, 2024
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8VRJ
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![BU of 8vrj by Molmil](/molmil-images/mine/8vrj) | |
8VRK
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![BU of 8vrk by Molmil](/molmil-images/mine/8vrk) | |
8VRN
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![BU of 8vrn by Molmil](/molmil-images/mine/8vrn) | Human GABAA receptor alpha1-beta2-gamma2 subtype in complex with GABA plus PPTQ | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(4-methylphenyl)-2-phenylquinazolin-4(3H)-one, ... | Authors: | Chojnacka, W, Teng, J, Kim, J.J, Jensen, A.A, Hibbs, R.E. | Deposit date: | 2024-01-22 | Release date: | 2024-06-26 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (2.57 Å) | Cite: | Structural insights into GABA A receptor potentiation by Quaalude. Nat Commun, 15, 2024
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8VRU
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![BU of 8vru by Molmil](/molmil-images/mine/8vru) | GII.4c apo norovirus protruding domain | Descriptor: | 1,2-ETHANEDIOL, Capsid protein, FORMIC ACID | Authors: | Kher, G, Prewitt, A, Pancera, M, Hansman, G. | Deposit date: | 2024-01-22 | Release date: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.34 Å) | Cite: | Advancement of norovirus therapies To Be Published
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8VRV
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![BU of 8vrv by Molmil](/molmil-images/mine/8vrv) | GII.4c H2-tri HBGA norovirus protruding domain | Descriptor: | 1,2-ETHANEDIOL, Capsid protein, FORMIC ACID, ... | Authors: | Kher, G, Prewitt, A, Pancera, M, Hansman, G. | Deposit date: | 2024-01-22 | Release date: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Advancement of norovirus therapies To Be Published
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8VS9
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![BU of 8vs9 by Molmil](/molmil-images/mine/8vs9) | Endogenous trans-translation complex with tmRNA*SmpB in the P site and alanyl-tRNA in the A site and deacyl-tRNA in the E site of E. coli 70S ribosome | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | Authors: | Teran, D, Zhang, Y, Korostelev, A.A. | Deposit date: | 2024-01-23 | Release date: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Endogenous trans-translation structure visualizes the decoding of the first tmRNA alanine codon. Front Microbiol, 15, 2024
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8VSA
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![BU of 8vsa by Molmil](/molmil-images/mine/8vsa) | Endogenous trans-translation complex with tmRNA*SmpB in the P site and alanyl-tRNA in the A site of E. coli 70S ribosome | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | Authors: | Teran, D, Zhang, Y, Korostelev, A.A. | Deposit date: | 2024-01-23 | Release date: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Endogenous trans-translation structure visualizes the decoding of the first tmRNA alanine codon. Front Microbiol, 15, 2024
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8VSG
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![BU of 8vsg by Molmil](/molmil-images/mine/8vsg) | SARS-CoV-2 main protease with covalent inhibitor | Descriptor: | (1R,2S,5S)-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-(1-phenylcyclopropane-1-carbonyl)-3-azabicyclo[3.1.0]hexane-2-carboxamide, 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | Authors: | Bell, J.A, Bandera, A.M. | Deposit date: | 2024-01-24 | Release date: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.071 Å) | Cite: | Exploiting high-energy hydration sites for the discovery of potent peptide aldehyde inhibitors of the SARS-CoV-2 main protease with cellular antiviral activity. Bioorg.Med.Chem., 103, 2024
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8VSH
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![BU of 8vsh by Molmil](/molmil-images/mine/8vsh) | Crystal structure of Shewanella benthica Group 1 truncated hemoglobin C51S C71S variant with trans heme D | Descriptor: | Group 1 truncated hemoglobin, {3-[(2R,5'R)-9',14'-diethenyl-5'-hydroxy-5',10',15',19'-tetramethyl-5-oxo-4,5-dihydro-3H-spiro[furan-2,4'-[21,22,23,24]tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa[1,3(24),6,8,10,12,14,16(22),17,19]decaen]-20'-yl-kappa~4~N~21'~,N~22'~,N~23'~,N~24'~]propanoato}iron | Authors: | Lecomte, J.T.J, Martinez, J.E, Schlessman, J.L, Schultz, T.D, Siegler, M.A. | Deposit date: | 2024-01-24 | Release date: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Heme D formation in a Shewanella benthica truncated hemoglobin To Be Published
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8VTL
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![BU of 8vtl by Molmil](/molmil-images/mine/8vtl) | |
8VTN
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8VTO
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8VW4
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![BU of 8vw4 by Molmil](/molmil-images/mine/8vw4) | Crystal structure of Cbl-b TKB bound to compound 26 | Descriptor: | (7-methoxy-2-{2-[(1S,3S,4S)-3-(3-methoxy-2-methyl-5-nitrophenyl)-1-methyl-5-oxo-1,5-dihydroimidazo[1,5-a]pyridin-2(3H)-yl]-2-oxoethoxy}quinolin-8-yl)acetic acid, DI(HYDROXYETHYL)ETHER, E3 ubiquitin-protein ligase CBL-B, ... | Authors: | Yu, C, Murray, J, Hsu, P.L. | Deposit date: | 2024-01-31 | Release date: | 2024-07-03 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Optimization of a Novel DEL Hit That Binds in the Cbl-b SH2 Domain and Blocks Substrate Binding. Acs Med.Chem.Lett., 15, 2024
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8VW5
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![BU of 8vw5 by Molmil](/molmil-images/mine/8vw5) | Crystal structure of Cbl-b TKB bound to compound 2 | Descriptor: | CALCIUM ION, E3 ubiquitin-protein ligase CBL-B, MAGNESIUM ION, ... | Authors: | Yu, C, Murray, J, Hsu, P.L. | Deposit date: | 2024-01-31 | Release date: | 2024-07-03 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Optimization of a Novel DEL Hit That Binds in the Cbl-b SH2 Domain and Blocks Substrate Binding. Acs Med.Chem.Lett., 15, 2024
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8VXD
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![BU of 8vxd by Molmil](/molmil-images/mine/8vxd) | |
8VXE
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![BU of 8vxe by Molmil](/molmil-images/mine/8vxe) | Structure of p38 alpha (Mitogen-activated protein kinase 14) complexed with inhibitor 6 | Descriptor: | (4M)-4-[3-(4-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine, Mitogen-activated protein kinase 14 | Authors: | Blaesse, M, Steinbacher, S, Shaffer, P.L, Sharma, S, Thompson, A.A. | Deposit date: | 2024-02-04 | Release date: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structure-Based Optimization of Selective and Brain Penetrant CK1 delta Inhibitors for the Treatment of Circadian Disruptions. Acs Med.Chem.Lett., 15, 2024
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8VXF
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![BU of 8vxf by Molmil](/molmil-images/mine/8vxf) | Structure of Casein kinase I isoform delta (CK1d) complexed with inhibitor 15 | Descriptor: | (2P,3P,8S)-2-(5-fluoropyridin-2-yl)-6,6-dimethyl-3-(1H-pyrazolo[3,4-b]pyridin-4-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine, Casein kinase I isoform delta | Authors: | Thompson, A.A, Milligan, C.M, Sharma, S. | Deposit date: | 2024-02-04 | Release date: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Structure-Based Optimization of Selective and Brain Penetrant CK1 delta Inhibitors for the Treatment of Circadian Disruptions. Acs Med.Chem.Lett., 15, 2024
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8VY7
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![BU of 8vy7 by Molmil](/molmil-images/mine/8vy7) | CryoEM structure of Gi-coupled TAS2R14 with cholesterol and an intracellular tastant | Descriptor: | 4-methyl-N-[(2M)-2-(1H-tetrazol-5-yl)phenyl]-6-(trifluoromethyl)pyrimidin-2-amine, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Kim, Y, Gumpper, R.H, Roth, B.L. | Deposit date: | 2024-02-07 | Release date: | 2024-04-03 | Last modified: | 2024-04-24 | Method: | ELECTRON MICROSCOPY (2.68 Å) | Cite: | Bitter taste receptor activation by cholesterol and an intracellular tastant. Nature, 628, 2024
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8VY9
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![BU of 8vy9 by Molmil](/molmil-images/mine/8vy9) | CryoEM structure of Ggust-coupled TAS2R14 with cholesterol and an intracellular tastant | Descriptor: | 4-methyl-N-[(2M)-2-(1H-tetrazol-5-yl)phenyl]-6-(trifluoromethyl)pyrimidin-2-amine, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Kim, Y, Gumpper, R.H, Roth, B.L. | Deposit date: | 2024-02-07 | Release date: | 2024-04-03 | Last modified: | 2024-04-24 | Method: | ELECTRON MICROSCOPY (2.88 Å) | Cite: | Bitter taste receptor activation by cholesterol and an intracellular tastant. Nature, 628, 2024
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8VYE
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![BU of 8vye by Molmil](/molmil-images/mine/8vye) | SARS-CoV-2 S (C.37 Lambda variant) plus S309, S2L20, and S2X303 Fabs | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, S2L20 Heavy Chain, S2L20 Light Chain, ... | Authors: | McCallum, M, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | Deposit date: | 2024-02-08 | Release date: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Quantifying how single dose Ad26.COV2.S vaccine efficacy depends on Spike sequence features. Nat Commun, 15, 2024
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8VYF
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![BU of 8vyf by Molmil](/molmil-images/mine/8vyf) | SARS-CoV-2 S NTD (C.37 Lambda variant) plus S2L20 and S2X303 Fabs, local refinement | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, S2L20 Heavy Chain, ... | Authors: | McCallum, M, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | Deposit date: | 2024-02-08 | Release date: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Quantifying how single dose Ad26.COV2.S vaccine efficacy depends on Spike sequence features. Nat Commun, 15, 2024
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