8QLF
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![BU of 8qlf by Molmil](/molmil-images/mine/8qlf) | Crystal structure of the light-driven sodium pump ErNaR in the monomeric form at pH 8.8 | Descriptor: | Bacteriorhodopsin-like protein, EICOSANE, OLEIC ACID | Authors: | Kovalev, K, Podoliak, E, Lamm, G.H.U, Astashkin, R, Bourenkov, G. | Deposit date: | 2023-09-19 | Release date: | 2024-04-24 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | A subgroup of light-driven sodium pumps with an additional Schiff base counterion. Nat Commun, 15, 2024
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7ASS
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6W5L
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![BU of 6w5l by Molmil](/molmil-images/mine/6w5l) | 2.1 A resolution structure of Norovirus 3CL protease in complex with inhibitor 7g | Descriptor: | (2~{S})-~{N}-[(1~{R})-1-[bis($l^{1}-oxidanyl)-methoxy-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{R})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-2-[[[2-(3-chlorophenyl)-2-methyl-propoxy]-oxidanylidene-methyl]amino]-4-methyl-pentanamide, 3C-LIKE PROTEASE | Authors: | Lovell, S, Kashipathy, M.M, Battaile, K.P, Rathnayake, A.D, Kim, Y, Chang, K.O, Groutas, W.C. | Deposit date: | 2020-03-13 | Release date: | 2020-09-30 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure-Guided Optimization of Dipeptidyl Inhibitors of Norovirus 3CL Protease. J.Med.Chem., 63, 2020
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5TR1
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6VWC
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![BU of 6vwc by Molmil](/molmil-images/mine/6vwc) | Crystal structure of Bcl-xL in complex with tetrahydroisoquinoline-pyridine based inhibitors | Descriptor: | 6-{8-[(1,3-benzothiazol-2-yl)carbamoyl]-3,4-dihydroisoquinolin-2(1H)-yl}-3-{1-[(pyridin-4-yl)methyl]-1H-pyrazol-4-yl}pyridine-2-carboxylic acid, Bcl-2-like protein 1 | Authors: | Judge, R.A, Judd, A.S. | Deposit date: | 2020-02-19 | Release date: | 2020-10-21 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.604 Å) | Cite: | Discovery of A-1331852, a First-in-Class, Potent, and Orally-Bioavailable BCL-X L Inhibitor. Acs Med.Chem.Lett., 11, 2020
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6VWF
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![BU of 6vwf by Molmil](/molmil-images/mine/6vwf) | Structure of ALDH9A1 complexed with NAD+ in space group C222 | Descriptor: | 4-trimethylaminobutyraldehyde dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Wyatt, J.W, Tanner, J.J. | Deposit date: | 2020-02-19 | Release date: | 2020-08-05 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.64 Å) | Cite: | Inhibition, crystal structures, and in-solution oligomeric structure of aldehyde dehydrogenase 9A1. Arch.Biochem.Biophys., 691, 2020
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6TTL
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![BU of 6ttl by Molmil](/molmil-images/mine/6ttl) | crystal structure of [FeFe]-hydrogenase CbA5H (partial) from Clostridium beijerinckii in Hinact state | Descriptor: | IRON/SULFUR CLUSTER, [FeFe]-hydrogenase, dicarbonyl[bis(cyanide-kappaC)]-mu-(iminodimethanethiolatato-1kappaS:2kappaS)-mu-(oxomethylidene)diiron(2+) | Authors: | Duan, J, Rutz, A, Hofmann, E, Happe, T. | Deposit date: | 2019-12-28 | Release date: | 2020-12-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | A safety cap protects hydrogenase from oxygen attack. Nat Commun, 12, 2021
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6WKP
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![BU of 6wkp by Molmil](/molmil-images/mine/6wkp) | Crystal structure of RNA-binding domain of nucleocapsid phosphoprotein from SARS CoV-2, monoclinic crystal form | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Nucleoprotein, ZINC ION | Authors: | Chang, C, Michalska, K, Jedrzejczak, R, Maltseva, N, Endres, M, Godzik, A, Kim, Y, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2020-04-16 | Release date: | 2020-04-29 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.67 Å) | Cite: | Epitopes recognition of SARS-CoV-2 nucleocapsid RNA binding domain by human monoclonal antibodies. Iscience, 27, 2024
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8AJJ
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5TQQ
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7BCB
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5T31
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![BU of 5t31 by Molmil](/molmil-images/mine/5t31) | Exploiting an Asp-Glu switch in Glycogen Synthase Kinase 3 to design paralog selective inhibitors for use in acute myeloid leukemia | Descriptor: | (4~{S})-4-ethyl-7,7-dimethyl-4-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one, Glycogen synthase kinase-3 beta | Authors: | Stein, A.J, Holson, E.B, Wagner, F.F, Cambell, A.J. | Deposit date: | 2016-08-24 | Release date: | 2018-02-21 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Exploiting an Asp-Glu "switch" in glycogen synthase kinase 3 to design paralog-selective inhibitors for use in acute myeloid leukemia. Sci Transl Med, 10, 2018
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8AJK
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![BU of 8ajk by Molmil](/molmil-images/mine/8ajk) | Crystal structure of a C43S variant from the disulfide reductase MerA from Staphylococcus aureus | Descriptor: | FAD-containing oxidoreductase, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | Authors: | Weiland, P, Altegoer, F, Bange, G. | Deposit date: | 2022-07-28 | Release date: | 2023-03-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | MerA functions as a hypothiocyanous acid reductase and defense mechanism in Staphylococcus aureus. Mol.Microbiol., 119, 2023
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7LGK
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![BU of 7lgk by Molmil](/molmil-images/mine/7lgk) | Crystal structure of soluble guanylate cyclase activator runcaciguat (BAY 1101042) bound to nostoc H-NOX domain | Descriptor: | CHLORIDE ION, GLYCEROL, H-NOX domain protein, ... | Authors: | van den Akker, F, Kumar, V, Schaefer, M. | Deposit date: | 2021-01-20 | Release date: | 2021-05-05 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Discovery of the Soluble Guanylate Cyclase Activator Runcaciguat (BAY 1101042). J.Med.Chem., 64, 2021
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7BCA
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7BBQ
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6WOK
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![BU of 6wok by Molmil](/molmil-images/mine/6wok) | Crystal structure of estrogen receptor alpha in complex with receptor degrader 6 | Descriptor: | (1R,3R)-1-(2,6-difluoro-4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-2-(2-fluoro-2-methylpropyl)-3-methyl-2,3,4,9-tetrahydro-1H-beta-carboline, (2S)-3-(3-hydroxyphenyl)-2-(4-iodophenyl)-4-methyl-2H-1-benzopyran-6-ol, Estrogen receptor | Authors: | Kiefer, J.R, Vinogradova, M, Liang, J, Zhang, B, Wang, X, Labadie, S. | Deposit date: | 2020-04-24 | Release date: | 2020-07-01 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.309 Å) | Cite: | Discovery of GNE-149 as a Full Antagonist and Efficient Degrader of Estrogen Receptor alpha for ER+ Breast Cancer. Acs Med.Chem.Lett., 11, 2020
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8QXY
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![BU of 8qxy by Molmil](/molmil-images/mine/8qxy) | Xylanase from Bacillus circulans mutant E78Q bound to xylotriose | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Endo-1,4-beta-xylanase, GLYCEROL, ... | Authors: | Chikunova, A, Saberi, M, Ubbink, M. | Deposit date: | 2023-10-25 | Release date: | 2024-08-21 | Last modified: | 2024-09-04 | Method: | X-RAY DIFFRACTION (1.41 Å) | Cite: | Bimodal substrate binding in the active site of the glycosidase BcX. Febs J., 2024
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8QY2
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![BU of 8qy2 by Molmil](/molmil-images/mine/8qy2) | Xylanase from Bacillus circulans mutant E78Q/F125A | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Endo-1,4-beta-xylanase, GLYCEROL, ... | Authors: | Chikunova, A, Saberi, M, Ubbink, M. | Deposit date: | 2023-10-25 | Release date: | 2024-08-21 | Last modified: | 2024-09-04 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Bimodal substrate binding in the active site of the glycosidase BcX. Febs J., 2024
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8R86
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7CVM
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8QXZ
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![BU of 8qxz by Molmil](/molmil-images/mine/8qxz) | Xylanase from Bacillus circulans mutant E78Q/Y69A | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, Endo-1,4-beta-xylanase, ... | Authors: | Chikunova, A, Saberi, M, Ubbink, M. | Deposit date: | 2023-10-25 | Release date: | 2024-08-21 | Last modified: | 2024-09-04 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Bimodal substrate binding in the active site of the glycosidase BcX. Febs J., 2024
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8QY1
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![BU of 8qy1 by Molmil](/molmil-images/mine/8qy1) | Xylanase from Bacillus circulans mutant E78Q/Y69A bound to xylohexaose | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, Endo-1,4-beta-xylanase, ... | Authors: | Chikunova, A, Saberi, M, Ubbink, M. | Deposit date: | 2023-10-25 | Release date: | 2024-08-21 | Last modified: | 2024-09-04 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Bimodal substrate binding in the active site of the glycosidase BcX. Febs J., 2024
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8QY0
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![BU of 8qy0 by Molmil](/molmil-images/mine/8qy0) | Xylanase from Bacillus circulans mutant E78Q/Y69A bound to xylotriose | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Endo-1,4-beta-xylanase, ZINC ION, ... | Authors: | Chikunova, A, Saberi, M, Ubbink, M. | Deposit date: | 2023-10-25 | Release date: | 2024-08-21 | Last modified: | 2024-09-04 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Bimodal substrate binding in the active site of the glycosidase BcX. Febs J., 2024
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8QY3
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![BU of 8qy3 by Molmil](/molmil-images/mine/8qy3) | Xylanase from Bacillus circulans mutant E78Q/F125A bound to xylotriose | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, Endo-1,4-beta-xylanase, ... | Authors: | Chikunova, A, Saberi, M, Ubbink, M. | Deposit date: | 2023-10-25 | Release date: | 2024-08-21 | Last modified: | 2024-09-04 | Method: | X-RAY DIFFRACTION (1.24 Å) | Cite: | Bimodal substrate binding in the active site of the glycosidase BcX. Febs J., 2024
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