8UT4
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![BU of 8ut4 by Molmil](/molmil-images/mine/8ut4) | CryoEM structure of A/Michigan/45/2015 H1 in complex with flu HA central stem VH1-18 antibody 09-1B12 | Descriptor: | 09-1B12 HC Fv, 09-1B12 LC Fv, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Huang, J, Han, J, Ward, A.B. | Deposit date: | 2023-10-30 | Release date: | 2024-05-08 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Eliciting a single amino acid change by vaccination generates antibody protection against group 1 and group 2 influenza A viruses. Immunity, 57, 2024
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6ZE8
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![BU of 6ze8 by Molmil](/molmil-images/mine/6ze8) | Crystal structure of human chitotriosidase-1 (hCHIT) catalytic domain in complex with compound OATD-01 | Descriptor: | 5-(4-((2S,5S)-5-(4-chlorobenzyl)-2-methylmorpholino)piperidin-1-yl)-4H-1,2,4-triazol-3-amine, Chitotriosidase-1, GLYCEROL, ... | Authors: | Nowotny, M, Bartlomiejczak, A, Napiorkowska-Gromadzka, A. | Deposit date: | 2020-06-16 | Release date: | 2020-11-11 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Discovery of OATD-01 , a First-in-Class Chitinase Inhibitor as Potential New Therapeutics for Idiopathic Pulmonary Fibrosis. J.Med.Chem., 63, 2020
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6ZGC
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![BU of 6zgc by Molmil](/molmil-images/mine/6zgc) | Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound Saracatinib (AZD0530) | Descriptor: | Activin receptor type I, N-(5-CHLORO-1,3-BENZODIOXOL-4-YL)-7-[2-(4-METHYLPIPERAZIN-1-YL)ETHOXY]-5-(TETRAHYDRO-2H-PYRAN-4-YLOXY)QUINAZOLIN-4-AMINE, PHOSPHATE ION, ... | Authors: | Williams, E.P, Galan Bartual, S, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N. | Deposit date: | 2020-06-18 | Release date: | 2020-07-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.67 Å) | Cite: | Saracatinib is an efficacious clinical candidate for fibrodysplasia ossificans progressiva. JCI Insight, 6, 2021
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6WII
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![BU of 6wii by Molmil](/molmil-images/mine/6wii) | Crystal structure of the K. pneumoniae LpxH/JH-LPH-41 complex | Descriptor: | 5-({[4-({4-[3-chloro-5-(trifluoromethyl)phenyl]piperazin-1-yl}sulfonyl)phenyl]carbamoyl}amino)-N-hydroxypentanamide, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Cochrane, C.S, Cho, J, Fenton, B.A, Zhou, P. | Deposit date: | 2020-04-09 | Release date: | 2020-07-29 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Synthesis and evaluation of sulfonyl piperazine LpxH inhibitors. Bioorg.Chem., 102, 2020
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6Z55
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![BU of 6z55 by Molmil](/molmil-images/mine/6z55) | Crystal structure of CLK3 in complex with macrocycle ODS2004070 | Descriptor: | 1,2-ETHANEDIOL, 7,10-Dioxa-13,17,18,21-tetrazatetracyclo[12.5.2.12,6.017,20]docosa-1(20),2(22),3,5,14(21),15,18-heptaene-5-carboxylic acid, Dual specificity protein kinase CLK3, ... | Authors: | Chaikuad, A, Benderitter, P, Hoflack, J, Denis, A, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-05-26 | Release date: | 2020-06-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structure of CLK3 in complex with macrocycle ODS2004070 To Be Published
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6ZA1
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![BU of 6za1 by Molmil](/molmil-images/mine/6za1) | Structure of [NiFeSe] hydrogenase G491A variant from Desulfovibrio vulgaris Hildenborough pressurized with Oxygen gas - structure G491A-O2-hd | Descriptor: | CARBONMONOXIDE-(DICYANO) IRON, FE (II) ION, GLYCEROL, ... | Authors: | Zacarias, S, Temporao, A, Carpentier, P, van der Linden, P, Pereira, I.A.C, Matias, P.M. | Deposit date: | 2020-06-04 | Release date: | 2020-09-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | Exploring the gas access routes in a [NiFeSe] hydrogenase using crystals pressurized with krypton and oxygen. J.Biol.Inorg.Chem., 25, 2020
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6WMM
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![BU of 6wmm by Molmil](/molmil-images/mine/6wmm) | |
6WGQ
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![BU of 6wgq by Molmil](/molmil-images/mine/6wgq) | The crystal structure of a beta-lactamase from Shigella flexneri 2a str. 2457T | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-lactamase, CHLORIDE ION, ... | Authors: | Tan, K, Wu, R, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2020-04-06 | Release date: | 2020-04-15 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The crystal structure of a beta-lactamase from Shigella flexneri 2a str. 2457T To Be Published
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6WNF
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![BU of 6wnf by Molmil](/molmil-images/mine/6wnf) | |
8J12
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![BU of 8j12 by Molmil](/molmil-images/mine/8j12) | Cryo-EM structure of the AsCas12f-sgRNA-target DNA ternary complex | Descriptor: | DNA (38-MER), MAGNESIUM ION, RNA (247-MER), ... | Authors: | Hino, T, Omura, N.S, Nakagawa, R, Togashi, T, Takeda, N.S, Hiramoto, T, Tasaka, S, Hirano, H, Tokuyama, T, Uosaki, H, Ishiguro, H, Yamano, H, Ozaki, Y, Motooka, D, Mori, H, Kirita, Y, Kise, Y, Itoh, Y, Matoba, S, Aburatani, H, Yachie, N, Siksnys, V, Ohmori, T, Hoshino, A, Nureki, O. | Deposit date: | 2023-04-12 | Release date: | 2023-09-27 | Method: | ELECTRON MICROSCOPY (3.08 Å) | Cite: | Minimal and most efficient genome editing Cas enzyme To Be Published
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6WXM
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![BU of 6wxm by Molmil](/molmil-images/mine/6wxm) | |
4YY3
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![BU of 4yy3 by Molmil](/molmil-images/mine/4yy3) | 30S ribosomal subunit- HigB complex | Descriptor: | 16S rRNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ... | Authors: | Schureck, M.A, Maehigashi, T, Dunham, C.M. | Deposit date: | 2015-03-23 | Release date: | 2016-07-06 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | mRNA bound to the 30S subunit is a HigB toxin substrate. Rna, 22, 2016
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6WY9
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![BU of 6wy9 by Molmil](/molmil-images/mine/6wy9) | Tcur3481-Tcur3483 steroid ACAD G363A variant | Descriptor: | Acyl-CoA dehydrogenase domain protein Tcur3481, Acyl-CoA dehydrogenase domain protein Tcur3483, CHLORIDE ION, ... | Authors: | Kimber, M.S, Stirling, A.J, Seah, S.Y.K. | Deposit date: | 2020-05-12 | Release date: | 2020-10-28 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A Key Glycine in Bacterial Steroid-Degrading Acyl-CoA Dehydrogenases Allows Flavin-Ring Repositioning and Modulates Substrate Side Chain Specificity. Biochemistry, 59, 2020
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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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6Z1H
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![BU of 6z1h by Molmil](/molmil-images/mine/6z1h) | Ancestral glycosidase (family 1) | Descriptor: | ANCESTRAL RECONSTRUCTED GLYCOSIDASE, GLYCEROL, ISOPROPYL ALCOHOL, ... | Authors: | Gavira, J.A, Risso, V.A, Sanchez-Ruiz, J.M, Gamiz-Arco, G, Gutierrez-Rus, L, Ibarra-Molero, B, Hoshino, Y, Petrovic, D, Romero-Rivera, A, Seelig, B, Kamerlin, S.C.L, Gaucher, E.A. | Deposit date: | 2020-05-13 | Release date: | 2020-07-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Heme-binding enables allosteric modulation in an ancient TIM-barrel glycosidase. Nat Commun, 12, 2021
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6X1Z
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![BU of 6x1z by Molmil](/molmil-images/mine/6x1z) | Mre11 dimer in complex with small molecule modulator PFMJ | Descriptor: | (5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, MAGNESIUM ION, ... | Authors: | Arvai, A.S, Moiani, D, Tainer, J.A. | Deposit date: | 2020-05-19 | Release date: | 2020-06-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Fragment- and structure-based drug discovery for developing therapeutic agents targeting the DNA Damage Response. Prog.Biophys.Mol.Biol., 163, 2021
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6Z51
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![BU of 6z51 by Molmil](/molmil-images/mine/6z51) | Crystal structure of CLK3 in complex with macrocycle ODS2002941 | Descriptor: | 1,2-ETHANEDIOL, Dual specificity protein kinase CLK3, N-cyclopentyl-2-[(11,15-dimethyl-10-oxo-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-6-yl)oxy]acetamide, ... | Authors: | Chaikuad, A, Benderitter, P, Hoflack, J, Denis, A, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-05-26 | Release date: | 2020-06-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Crystal structure of CLK3 in complex with macrocycle ODS2002941 To Be Published
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6WFN
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![BU of 6wfn by Molmil](/molmil-images/mine/6wfn) | Crystal structure of human Naa50 in complex with AcCoA and an inhibitor (compound 4a) identified using DNA encoded library technology | Descriptor: | (4S)-1-methyl-N-{(3S,5S)-5-[4-(methylcarbamoyl)-1,3-thiazol-2-yl]-1-[4-(1H-tetrazol-5-yl)benzene-1-carbonyl]pyrrolidin-3-yl}-2,6-dioxohexahydropyrimidine-4-carboxamide, ACETYL COENZYME *A, N-alpha-acetyltransferase 50 | Authors: | Greasley, S.E, Feng, J, Deng, Y.-L, Stewart, A.E. | Deposit date: | 2020-04-03 | Release date: | 2020-07-01 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.07 Å) | Cite: | Characterization of SpecificN-alpha-Acetyltransferase 50 (Naa50) Inhibitors Identified Using a DNA Encoded Library. Acs Med.Chem.Lett., 11, 2020
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6WF3
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![BU of 6wf3 by Molmil](/molmil-images/mine/6wf3) | Crystal structure of human Naa50 in complex with a cofactor derived inhibitor (compound 1) | Descriptor: | ACE-MET-LEU-GLY-PRO-NH2, COENZYME A, N-alpha-acetyltransferase 50 | Authors: | Greasley, S.E, Feng, J, Deng, Y.-L, Stewart, A.E. | Deposit date: | 2020-04-03 | Release date: | 2020-07-01 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.291 Å) | Cite: | Characterization of SpecificN-alpha-Acetyltransferase 50 (Naa50) Inhibitors Identified Using a DNA Encoded Library. Acs Med.Chem.Lett., 11, 2020
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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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6WT8
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![BU of 6wt8 by Molmil](/molmil-images/mine/6wt8) | Structure of a STING-associated CdnE c-di-GMP synthase from Flavobacteriaceae sp. | Descriptor: | STING-associated CdnE c-di-GMP synthase | Authors: | Morehouse, B.R, Govande, A.A, Millman, A, Keszei, A.F.A, Lowey, B, Ofir, G, Shao, S, Sorek, R, Kranzusch, P.J. | Deposit date: | 2020-05-01 | Release date: | 2020-09-09 | Last modified: | 2020-10-28 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | STING cyclic dinucleotide sensing originated in bacteria. Nature, 586, 2020
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6WNJ
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![BU of 6wnj by Molmil](/molmil-images/mine/6wnj) | |
8AYE
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![BU of 8aye by Molmil](/molmil-images/mine/8aye) | E. coli 70S ribosome bound to thermorubin and fMet-tRNA | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | Authors: | Sanyal, S, Parajuli, N.P, Emmerich, A.G. | Deposit date: | 2022-09-02 | Release date: | 2023-03-01 | Last modified: | 2024-04-24 | Method: | ELECTRON MICROSCOPY (1.96 Å) | Cite: | Antibiotic thermorubin tethers ribosomal subunits and impedes A-site interactions to perturb protein synthesis in bacteria. Nat Commun, 14, 2023
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6T3N
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8AZW
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![BU of 8azw by Molmil](/molmil-images/mine/8azw) | Cryo-EM structure of the plant 60S subunit | Descriptor: | 25S rRNA, 5.8S rRNA, 5S rRNA, ... | Authors: | Smirnova, J, Loerke, J, Kleinau, G, Schmidt, A, Buerger, J, Meyer, E.H, Mielke, T, Scheerer, P, Bock, R, Spahn, C.M.T, Zoschke, R. | Deposit date: | 2022-09-06 | Release date: | 2023-06-07 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (2.14 Å) | Cite: | Structure of the actively translating plant 80S ribosome at 2.2 angstrom resolution. Nat.Plants, 9, 2023
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