7CIB
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![BU of 7cib by Molmil](/molmil-images/mine/7cib) | Crystal structure of P.aeruginosa LpxC in complex with inhibitor | Descriptor: | 2-oxidanyl-4-phenyl-benzoic acid, DIMETHYL SULFOXIDE, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ... | Authors: | Baker, L.M, Mima, M, Surgenor, A, Robertson, A. | Deposit date: | 2020-07-07 | Release date: | 2020-12-02 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Fragment-Based Discovery of Novel Non-Hydroxamate LpxC Inhibitors with Antibacterial Activity. J.Med.Chem., 63, 2020
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6WT4
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![BU of 6wt4 by Molmil](/molmil-images/mine/6wt4) | Structure of a bacterial STING receptor from Flavobacteriaceae sp. in complex with 3',3'-cGAMP | Descriptor: | 2-amino-9-[(2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-9-(6-amino-9H-purin-9-yl)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecin-2-yl]-1,9-dihydro-6H-purin-6-one, Bacterial STING, SULFATE ION | 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 (1.78 Å) | Cite: | STING cyclic dinucleotide sensing originated in bacteria. Nature, 586, 2020
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6WT7
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![BU of 6wt7 by Molmil](/molmil-images/mine/6wt7) | Structure of a metazoan TIR-STING receptor from C. gigas in complex with 2',3'-cGAMP | Descriptor: | Metazoan TIR-STING fusion, cGAMP | 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: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | STING cyclic dinucleotide sensing originated in bacteria. Nature, 586, 2020
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6X1Y
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![BU of 6x1y by Molmil](/molmil-images/mine/6x1y) | Mre11 dimer in complex with small molecule modulator PFMI | Descriptor: | (5Z)-5-[(3-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Nuclease SbcCD subunit D | 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 (2.35 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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6H58
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![BU of 6h58 by Molmil](/molmil-images/mine/6h58) | Structure of a hibernating 100S ribosome reveals an inactive conformation of the ribosomal protein S1 - Full 100S Hibernating E. coli Ribosome | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S1, ... | Authors: | Beckert, B, Turk, M, Czech, A, Berninghausen, O, Beckmann, R, Ignatova, Z, Plitzko, J, Wilson, D.N. | Deposit date: | 2018-07-24 | Release date: | 2018-09-05 | Last modified: | 2018-10-24 | Method: | ELECTRON MICROSCOPY (7.9 Å) | Cite: | Structure of a hibernating 100S ribosome reveals an inactive conformation of the ribosomal protein S1. Nat Microbiol, 3, 2018
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8BIP
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![BU of 8bip by Molmil](/molmil-images/mine/8bip) | Structure of a yeast 80S ribosome-bound N-Acetyltransferase B complex | Descriptor: | 25S rRNA, 5.8S rRNA, 5S rRNA, ... | Authors: | Knorr, A.G, Mackens-Kiani, T, Musial, J, Berninghausen, O, Becker, T, Beatrix, B, Beckmann, R. | Deposit date: | 2022-11-02 | Release date: | 2023-02-08 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | The dynamic architecture of Map1- and NatB-ribosome complexes coordinates the sequential modifications of nascent polypeptide chains. Plos Biol., 21, 2023
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8BJQ
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![BU of 8bjq by Molmil](/molmil-images/mine/8bjq) | Structure of a yeast 80S ribosome-bound N-Acetyltransferase B complex | Descriptor: | 25S rRNA, 5.8S rRNA, 5S rRNA, ... | Authors: | Knorr, A.G, Mackens-Kiani, T, Musial, J, Berninghausen, O, Becker, T, Beatrix, B, Beckmann, R. | Deposit date: | 2022-11-05 | Release date: | 2023-02-08 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | The dynamic architecture of Map1- and NatB-ribosome complexes coordinates the sequential modifications of nascent polypeptide chains. Plos Biol., 21, 2023
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9CWS
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![BU of 9cws by Molmil](/molmil-images/mine/9cws) | Bufavirus 1 at pH 2.6 | Descriptor: | VP1 | Authors: | Gulkis, M.C, McKenna, R, Bennett, A.D. | Deposit date: | 2024-07-30 | Release date: | 2024-08-21 | Method: | ELECTRON MICROSCOPY (2.73 Å) | Cite: | Structural Characterization of Human Bufavirus 1: Receptor Binding and Endosomal pH-Induced Changes Viruses, 16, 2024
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8WKT
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![BU of 8wkt by Molmil](/molmil-images/mine/8wkt) | Cryo-EM structure of DSR2-DSAD1 complex | Descriptor: | SIR2-like domain-containing protein, SPbeta prophage-derived uncharacterized protein YotI | Authors: | Gao, A, Huang, J, Zhu, K. | Deposit date: | 2023-09-28 | Release date: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (3.86 Å) | Cite: | Molecular basis of bacterial DSR2 anti-phage defense and viral immune evasion. Nat Commun, 15, 2024
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8ONO
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![BU of 8ono by Molmil](/molmil-images/mine/8ono) | Modified oligopeptidase B from S. proteamaculans in intermediate conformation with 5 spermine molecule at 1.65 A resolution | Descriptor: | Oligopeptidase B, SPERMINE | Authors: | Petrenko, D.E, Boyko, K.M, Nikolaeva, A.Y, Vlaskina, A.V, Mikhailova, A.G, Timofeev, V.I, Rakitina, T.V. | Deposit date: | 2023-04-03 | Release date: | 2023-05-31 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Modified oligopeptidase B from S. proteomaculans in intermediate conformation with 5 spermine molecule at 1.65 A resolution To Be Published
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5L6G
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![BU of 5l6g by Molmil](/molmil-images/mine/5l6g) | Xylooligosaccharide oxidase from Myceliophthora thermophila C1 in complex with Xylose | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, FAD linked oxidase-like protein, ... | Authors: | Rozeboom, H.J, Ferrari, A.R, Fraaije, M.W. | Deposit date: | 2016-05-30 | Release date: | 2016-09-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Discovery of a Xylooligosaccharide Oxidase from Myceliophthora thermophila C1. J.Biol.Chem., 291, 2016
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6XLI
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![BU of 6xli by Molmil](/molmil-images/mine/6xli) | CRYSTAL STRUCTURE OF ANTI-TAU ANTIBODY PT3 Fab+pT212/pT217-TAU PEPTIDE | Descriptor: | GLYCEROL, PT3 Fab Heavy Chain, PT3 Fab Light Chain, ... | Authors: | Malia, T.J, Teplyakov, A, Luo, J. | Deposit date: | 2020-06-28 | Release date: | 2020-09-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery and Functional Characterization of hPT3, a Humanized Anti-Phospho Tau Selective Monoclonal Antibody. J Alzheimers Dis, 77, 2020
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8VLM
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![BU of 8vlm by Molmil](/molmil-images/mine/8vlm) | Crystal structure of the yeast cytosine deaminase (yCD) E64V-M100W heterodimer | Descriptor: | 1,2-ETHANEDIOL, Cytosine deaminase, ZINC ION | Authors: | Picard, M.-E, Grenier, G, Despres, P.C, Dube, A.K, Landry, C.R, Shi, R. | Deposit date: | 2024-01-11 | Release date: | 2024-08-21 | Last modified: | 2024-09-04 | Method: | X-RAY DIFFRACTION (2.67 Å) | Cite: | Compensatory mutations potentiate constructive neutral evolution by gene duplication. Science, 385, 2024
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7SFQ
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![BU of 7sfq by Molmil](/molmil-images/mine/7sfq) | EmrE S64V Mutant Bound to tetra(4-fluorophenyl)phosphonium at pH 8.0 | Descriptor: | Multidrug transporter EmrE, tetrakis(4-fluorophenyl)phosphanium | Authors: | Shcherbakov, A.A, Spreacker, P.J, Dregni, A.J, Henzler-Wildman, K.A, Hong, M. | Deposit date: | 2021-10-04 | Release date: | 2022-03-02 | Last modified: | 2024-05-15 | Method: | SOLID-STATE NMR | Cite: | High-pH structure of EmrE reveals the mechanism of proton-coupled substrate transport. Nat Commun, 13, 2022
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6OST
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![BU of 6ost by Molmil](/molmil-images/mine/6ost) | RF2 pre-accommodated state bound Release complex 70S at 24ms | Descriptor: | 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ... | Authors: | Fu, Z, Indrisiunaite, G, Kaledhonkar, S, Shah, B, Sun, M, Chen, B, Grassucci, R.A, Ehrenberg, M, Frank, J. | Deposit date: | 2019-05-02 | Release date: | 2019-06-19 | Last modified: | 2019-12-18 | Method: | ELECTRON MICROSCOPY (4.2 Å) | Cite: | The structural basis for release-factor activation during translation termination revealed by time-resolved cryogenic electron microscopy. Nat Commun, 10, 2019
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6XMK
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![BU of 6xmk by Molmil](/molmil-images/mine/6xmk) | 1.70 A resolution structure of SARS-CoV-2 3CL protease in complex with inhibitor 7j | Descriptor: | (1S,2S)-2-[(N-{[(4,4-difluorocyclohexyl)methoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase, TETRAETHYLENE GLYCOL | Authors: | Lovell, S, Kashipathy, M.M, Battaile, K.P, Rathnayake, A.D, Zheng, J, Kim, Y, Nguyen, H.N, Chang, K.O, Groutas, W.C. | Deposit date: | 2020-06-30 | Release date: | 2020-07-08 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | 3C-like protease inhibitors block coronavirus replication in vitro and improve survival in MERS-CoV-infected mice. Sci Transl Med, 12, 2020
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8B4K
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6ODB
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![BU of 6odb by Molmil](/molmil-images/mine/6odb) | Crystal structure of HDAC8 in complex with compound 3 | Descriptor: | GLYCEROL, Histone deacetylase 8, N-{2-[(1E)-3-(hydroxyamino)-3-oxoprop-1-en-1-yl]phenyl}-2-phenoxybenzamide, ... | Authors: | Zheng, X, Conti, C, Caravella, J, Zablocki, M.-M, Bair, K, Barczak, N, Han, B, Lancia Jr, D, Liu, C, Martin, M, Ng, P.Y, Rudnitskaya, A, Thomason, J.J, Garcia-Dancey, R, Hardy, C, Lahdenranta, J, Leng, C, Li, P, Pardo, E, Saldahna, A, Tan, T, Toms, A.V, Yao, L, Zhang, C. | Deposit date: | 2019-03-26 | Release date: | 2020-04-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structure-based Discovery of Novel N-(E)-N-Hydroxy-3-(2-(2-oxoimidazolidin-1-yl)phenyl)acrylamides as Potent and Selective HDAC8 inhibitors To Be Published
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6XP3
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![BU of 6xp3 by Molmil](/molmil-images/mine/6xp3) | |
8OSK
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![BU of 8osk by Molmil](/molmil-images/mine/8osk) | Cryo-EM structure of CLOCK-BMAL1 bound to a nucleosomal E-box at position SHL+5.8 (composite map) | Descriptor: | Basic helix-loop-helix ARNT-like protein 1, Circadian locomoter output cycles protein kaput, DNA (124-MER), ... | Authors: | Stoos, L, Michael, A.K, Kempf, G, Cavadini, S, Thoma, N.H. | Deposit date: | 2023-04-19 | Release date: | 2023-05-24 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Cooperation between bHLH transcription factors and histones for DNA access. Nature, 619, 2023
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6UM8
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![BU of 6um8 by Molmil](/molmil-images/mine/6um8) | HIV Integrase in complex with Compound-14 | Descriptor: | (2S)-tert-butoxy[7-(8-fluoro-5-methyl-3,4-dihydro-2H-1-benzopyran-6-yl)-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]acetic acid, DI(HYDROXYETHYL)ETHER, Integrase, ... | Authors: | Khan, J.A, Kish, K. | Deposit date: | 2019-10-09 | Release date: | 2020-03-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Discovery and Optimization of Novel Pyrazolopyrimidines as Potent and Orally Bioavailable Allosteric HIV-1 Integrase Inhibitors. J.Med.Chem., 63, 2020
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8WKX
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![BU of 8wkx by Molmil](/molmil-images/mine/8wkx) | Cryo-EM structure of DSR2 | Descriptor: | SIR2-like domain-containing protein | Authors: | Gao, A, Huang, J, Zhu, K. | Deposit date: | 2023-09-28 | Release date: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (4.15 Å) | Cite: | Molecular basis of bacterial DSR2 anti-phage defense and viral immune evasion. Nat Commun, 15, 2024
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6UME
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![BU of 6ume by Molmil](/molmil-images/mine/6ume) | Crystal structure of human GAC in complex with inhibitor UPGL00012 | Descriptor: | 2-(pyridin-3-yl)-N-(5-{4-[(5-{[(pyridin-3-yl)acetyl]amino}-1,3,4-thiadiazol-2-yl)amino]piperidin-1-yl}-1,3,4-thiadiazol-2-yl)acetamide, Glutaminase kidney isoform, mitochondrial | Authors: | Huang, Q, Cerione, R.A. | Deposit date: | 2019-10-09 | Release date: | 2020-10-14 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystal structure of human GAC in complex with inhibitor UPGL00012 To Be Published
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8WKS
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![BU of 8wks by Molmil](/molmil-images/mine/8wks) | Cryo-EM structure of DSR2-TUBE complex | Descriptor: | SIR2-like domain-containing protein, TUBE | Authors: | Gao, A, Huang, J, Zhu, K. | Deposit date: | 2023-09-28 | Release date: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (3.58 Å) | Cite: | Molecular basis of bacterial DSR2 anti-phage defense and viral immune evasion. Nat Commun, 15, 2024
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7P72
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![BU of 7p72 by Molmil](/molmil-images/mine/7p72) | The PDZ domain of SNX27 complexed with the PDZ-binding motif of MERS-E | Descriptor: | CALCIUM ION, Envelope small membrane protein, GLYCEROL, ... | Authors: | Gogl, G, Cousido-Siah, A, Trave, G. | Deposit date: | 2021-07-19 | Release date: | 2022-07-27 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Quantitative fragmentomics allow affinity mapping of interactomes. Nat Commun, 13, 2022
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