1GPA
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8VFZ
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8VG1
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8VFX
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8VG2
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8VG0
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5IPJ
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![BU of 5ipj by Molmil](/molmil-images/mine/5ipj) | Crystal structure of human Pim-1 kinase in complex with a quinazolinone-pyrrolopyrrolone inhibitor. | Descriptor: | 2-(tert-butylamino)-3-methyl-8-[(6R)-6-methyl-4-oxo-1,4,5,6-tetrahydropyrrolo[3,4-b]pyrrol-2-yl]quinazolin-4(3H)-one, GLYCEROL, Serine/threonine-protein kinase pim-1 | Authors: | Mohr, C. | Deposit date: | 2016-03-09 | Release date: | 2016-06-22 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Discovery and Optimization of Quinazolinone-pyrrolopyrrolones as Potent and Orally Bioavailable Pan-Pim Kinase Inhibitors. J.Med.Chem., 59, 2016
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5NAI
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![BU of 5nai by Molmil](/molmil-images/mine/5nai) | mono-Zinc VIM-5 metallo-beta-lactamase in complex with (1-chloro-4-hydroxyisoquinoline-3-carbonyl)-D-tryptophan (Compound 1) | Descriptor: | (2~{R})-2-[(1-chloranyl-4-oxidanyl-isoquinolin-3-yl)carbonylamino]-3-(1~{H}-indol-3-yl)propanoic acid, Class B metallo-beta-lactamase, FLUORIDE ION, ... | Authors: | Li, G.-B, Brem, J, McDonough, M.A, Schofield, C.J. | Deposit date: | 2017-02-28 | Release date: | 2017-05-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Crystallographic analyses of isoquinoline complexes reveal a new mode of metallo-beta-lactamase inhibition. Chem. Commun. (Camb.), 53, 2017
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7B45
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![BU of 7b45 by Molmil](/molmil-images/mine/7b45) | Notum complex with ARUK3003934 | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-(3-methylsulfanylphenyl)sulfanyl-2~{H}-[1,2,4]triazolo[4,3-b]pyridazin-3-one, ... | Authors: | Fish, P, Jones, E.Y. | Deposit date: | 2020-12-02 | Release date: | 2022-01-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | Virtual Screening Directly Identifies New Fragment-Sized Inhibitors of Carboxylesterase Notum with Nanomolar Activity. J.Med.Chem., 65, 2022
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6C0R
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![BU of 6c0r by Molmil](/molmil-images/mine/6c0r) | Crystal structure of HIV-1 K103N/Y181C mutant reverse transcriptase in complex with non-nucleoside inhibitor 25a | Descriptor: | 1,2-ETHANEDIOL, 4-({4-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenoxy}thieno[3,2-d]pyrimidin-2-yl)amino]piperidin-1-yl}methyl)benzene-1-sulfonamide, DIMETHYL SULFOXIDE, ... | Authors: | Yang, Y, Nguyen, L.A, Smithline, Z.B, Steitz, T.A. | Deposit date: | 2018-01-02 | Release date: | 2018-08-01 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.049 Å) | Cite: | Structural basis for potent and broad inhibition of HIV-1 RT by thiophene[3,2-d]pyrimidine non-nucleoside inhibitors. Elife, 7, 2018
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5K9Q
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![BU of 5k9q by Molmil](/molmil-images/mine/5k9q) | Crystal structure of multidonor HV1-18-class broadly neutralizing Influenza A antibody 16.a.26 in complex with A/Hong Kong/1-4-MA21-1/1968 (H3N2) Hemagglutinin | Descriptor: | 16.a.26 Heavy chain, 16.a.26 Light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Joyce, M.G, Thomas, P.V, Wheatley, A.K, McDermott, A.B, Mascola, J.R, Kwong, P.D. | Deposit date: | 2016-06-01 | Release date: | 2016-11-30 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.503 Å) | Cite: | Vaccine-Induced Antibodies that Neutralize Group 1 and Group 2 Influenza A Viruses. Cell(Cambridge,Mass.), 166, 2016
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5LQW
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![BU of 5lqw by Molmil](/molmil-images/mine/5lqw) | yeast activated spliceosome | Descriptor: | Pre-mRNA leakage protein 1, Pre-mRNA-processing protein 45, Pre-mRNA-splicing factor 8, ... | Authors: | Rauhut, R, Luehrmann, R. | Deposit date: | 2016-08-17 | Release date: | 2016-10-05 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (5.8 Å) | Cite: | Molecular architecture of the Saccharomyces cerevisiae activated spliceosome Science, 6306, 2016
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5LRX
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![BU of 5lrx by Molmil](/molmil-images/mine/5lrx) | Structure of A20 OTU domain bound to ubiquitin | Descriptor: | Polyubiquitin-B, Tumor necrosis factor alpha-induced protein 3 | Authors: | Mevissen, T.E.T, Kulathu, Y, Mulder, M.P.C, Geurink, P.P, Maslen, S.L, Gersch, M, Elliott, P.R, Burke, J.E, van Tol, B.D.M, Akutsu, M, El Oualid, F, Kawasaki, M, Freund, S.M.V, Ovaa, H, Komander, D. | Deposit date: | 2016-08-22 | Release date: | 2016-10-19 | Last modified: | 2017-09-13 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Molecular basis of Lys11-polyubiquitin specificity in the deubiquitinase Cezanne. Nature, 538, 2016
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1HE2
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![BU of 1he2 by Molmil](/molmil-images/mine/1he2) | Human biliverdin IX beta reductase: NADP/biliverdin IX alpha ternary complex | Descriptor: | BILIVERDIN IX BETA REDUCTASE, BILIVERDINE IX ALPHA, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Pereira, P.J.B, Macedo-Ribeiro, S, Parraga, A, Perez-Luque, R, Cunningham, O, Darcy, K, Mantle, T.J, Coll, M. | Deposit date: | 2000-11-18 | Release date: | 2001-02-28 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Structure of Human Biliverdin Ix Beta Reductase, an Early Fetal Bilirubin Ix Producing Enzyme Nat.Struct.Biol., 8, 2001
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8X7J
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![BU of 8x7j by Molmil](/molmil-images/mine/8x7j) | Cryo-EM structures of RNF168/UbcH5c-Ub/nucleosomes complex determined by activity-based chemical trapping strategy | Descriptor: | DNA (144-MER), E3 ubiquitin-protein ligase RNF168, Histone H2A type 1-B/E, ... | Authors: | Ai, H.S, Tong, Z.B, Deng, Z.H, Pan, M, Liu, L. | Deposit date: | 2023-11-24 | Release date: | 2024-08-07 | Method: | ELECTRON MICROSCOPY (3.39 Å) | Cite: | Capturing Snapshots of Nucleosomal H2A K13/K15 Ubiquitination Mediated by the Monomeric E3 Ligase RNF168 Biorxiv, 2024
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7BKD
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![BU of 7bkd by Molmil](/molmil-images/mine/7bkd) | Formate dehydrogenase - heterodisulfide reductase - formylmethanofuran dehydrogenase complex from Methanospirillum hungatei (heterodislfide reductase core and mobile arm in conformational state 1, composite structure) | Descriptor: | CoB--CoM heterodisulfide reductase iron-sulfur subunit A, CoB--CoM heterodisulfide reductase subunit B, CoB--CoM heterodisulfide reductase subunit C, ... | Authors: | Pfeil-Gardiner, O, Watanabe, T, Shima, S, Murphy, B.J. | Deposit date: | 2021-01-15 | Release date: | 2021-09-29 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Three-megadalton complex of methanogenic electron-bifurcating and CO 2 -fixing enzymes. Science, 373, 2021
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7BKE
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![BU of 7bke by Molmil](/molmil-images/mine/7bke) | Formate dehydrogenase - heterodisulfide reductase - formylmethanofuran dehydrogenase complex from Methanospirillum hungatei (heterodisulfide reductase core and mobile arm in conformational state 2, composite structure) | Descriptor: | CoB--CoM heterodisulfide reductase iron-sulfur subunit A, CoB--CoM heterodisulfide reductase subunit B, CoB--CoM heterodisulfide reductase subunit C, ... | Authors: | Pfeil-Gardiner, O, Watanabe, T, Shima, S, Murphy, B.J. | Deposit date: | 2021-01-15 | Release date: | 2021-09-29 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Three-megadalton complex of methanogenic electron-bifurcating and CO 2 -fixing enzymes. Science, 373, 2021
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8X7K
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![BU of 8x7k by Molmil](/molmil-images/mine/8x7k) | Cryo-EM structures of RNF168/UbcH5c-Ub in complex with H2AK13Ub nucleosomes determined by activity-based chemical trapping strategy (adjacent H2AK13/15 dual-monoubiquitination) | Descriptor: | DNA (143-MER), E3 ubiquitin-protein ligase RNF168, Histone H2A type 1-B/E, ... | Authors: | Ai, H.S, Tong, Z.B, Deng, Z.H, Pan, M, Liu, L. | Deposit date: | 2023-11-24 | Release date: | 2024-08-07 | Method: | ELECTRON MICROSCOPY (3.27 Å) | Cite: | Capturing Snapshots of Nucleosomal H2A K13/K15 Ubiquitination Mediated by the Monomeric E3 Ligase RNF168 Biorxiv, 2024
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8X7I
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![BU of 8x7i by Molmil](/molmil-images/mine/8x7i) | Cryo-EM structures of RNF168/UbcH5c-Ub in complex with H2AK13Ub nucleosomes determined by intein-based E2-Ub-NCP conjugation strategy | Descriptor: | DNA (147-MER), E3 ubiquitin-protein ligase RNF168, Histone H2A type 1-B/E, ... | Authors: | Ai, H.S, Tong, Z.B, Deng, Z.H, Pan, M, Liu, L. | Deposit date: | 2023-11-24 | Release date: | 2024-08-07 | Method: | ELECTRON MICROSCOPY (3.27 Å) | Cite: | Capturing Snapshots of Nucleosomal H2A K13/K15 Ubiquitination Mediated by the Monomeric E3 Ligase RNF168 Biorxiv, 2024
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6CGF
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![BU of 6cgf by Molmil](/molmil-images/mine/6cgf) | Crystal structure of HIV-1 Y188L mutant reverse transcriptase in complex with non-nucleoside inhibitor K-5a2 | Descriptor: | 1,2-ETHANEDIOL, 4-[(4-{[4-(4-cyano-2,6-dimethylphenoxy)thieno[3,2-d]pyrimidin-2-yl]amino}piperidin-1-yl)methyl]benzene-1-sulfonamide, MAGNESIUM ION, ... | Authors: | Yang, Y, Nguyen, L.A, Smithline, Z.B, Steitz, T.A. | Deposit date: | 2018-02-20 | Release date: | 2018-08-01 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Structural basis for potent and broad inhibition of HIV-1 RT by thiophene[3,2-d]pyrimidine non-nucleoside inhibitors. Elife, 7, 2018
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6Q56
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![BU of 6q56 by Molmil](/molmil-images/mine/6q56) | Crystal structure of the B. subtilis M1A22 tRNA methyltransferase TrmK | Descriptor: | NICKEL (II) ION, tRNA (adenine(22)-N(1))-methyltransferase | Authors: | Degut, C, Roovers, M, Barraud, P, Brachet, F, Feller, A, Larue, V, Al Refaii, A, Caillet, J, Droogmans, L, Tisne, C. | Deposit date: | 2018-12-07 | Release date: | 2019-03-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural characterization of B. subtilis m1A22 tRNA methyltransferase TrmK: insights into tRNA recognition. Nucleic Acids Res., 47, 2019
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6Q79
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![BU of 6q79 by Molmil](/molmil-images/mine/6q79) | Structure of Fucosylated D-antimicrobial peptide SB4 in complex with the Fucose-binding lectin PA-IIL at 2.009 Angstrom resolution | Descriptor: | 3,7-anhydro-2,8-dideoxy-L-glycero-D-gluco-octonic acid, AMINO GROUP, CALCIUM ION, ... | Authors: | Baeriswyl, S, Stocker, A, Reymond, J.-L. | Deposit date: | 2018-12-13 | Release date: | 2019-03-20 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.009 Å) | Cite: | X-ray Crystal Structures of Short Antimicrobial Peptides as Pseudomonas aeruginosa Lectin B Complexes. Acs Chem.Biol., 14, 2019
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8AAG
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![BU of 8aag by Molmil](/molmil-images/mine/8aag) | H1-bound palindromic nucleosome, state 1 | Descriptor: | DNA/RNA (185-MER), Histone H1.0-B, Histone H2A type 1, ... | Authors: | Alegrio Louro, J, Beinsteiner, B, Cheng, T.C, Patel, A.K.M, Boopathi, R, Angelov, D, Hamiche, A, Bednar, J, Kale, S, Dimitrov, S, Klaholz, B. | Deposit date: | 2022-07-01 | Release date: | 2022-12-14 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (10 Å) | Cite: | Nucleosome dyad determines the H1 C-terminus collapse on distinct DNA arms. Structure, 31, 2023
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8YTI
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![BU of 8yti by Molmil](/molmil-images/mine/8yti) | Crystal Structure of Nucleosome-H1x Linker Histone Assembly (sticky-169a DNA fragment) | Descriptor: | CALCIUM ION, CHLORIDE ION, DNA (169-MER), ... | Authors: | Adhireksan, Z, Qiuye, B, Padavattan, S, Davey, C.A. | Deposit date: | 2024-03-26 | Release date: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Linker Histones Associate Heterogeneously with Nucleosomes in the Condensed State To Be Published
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1HDO
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![BU of 1hdo by Molmil](/molmil-images/mine/1hdo) | Human biliverdin IX beta reductase: NADP complex | Descriptor: | BILIVERDIN IX BETA REDUCTASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Pereira, P.J.B, Macedo-Ribeiro, S, Parraga, A, Perez-Luque, R, Cunningham, O, Darcy, K, Mantle, T.J, Coll, M. | Deposit date: | 2000-11-16 | Release date: | 2001-02-28 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Structure of Human Biliverdin Ix Beta Reductase, an Early Fetal Bilirubin Ix Producing Enzyme Nat.Struct.Biol., 8, 2001
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