6KM7
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![BU of 6km7 by Molmil](/molmil-images/mine/6km7) | The structural basis for the internal interaction in RBBP5 | Descriptor: | HEXAETHYLENE GLYCOL, NONAETHYLENE GLYCOL, Retinoblastoma-binding protein 5, ... | Authors: | Han, J, Li, T, Chen, Y. | Deposit date: | 2019-07-31 | Release date: | 2019-10-02 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.801 Å) | Cite: | The internal interaction in RBBP5 regulates assembly and activity of MLL1 methyltransferase complex. Nucleic Acids Res., 47, 2019
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3HX8
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7MWS
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![BU of 7mws by Molmil](/molmil-images/mine/7mws) | Crystal structure of tamarin CD81 large extracellular loop | Descriptor: | CD81 protein, GLYCEROL, TETRAETHYLENE GLYCOL | Authors: | Kumar, A, Hossain, R.A, Yost, S.A, Bu, W, Wang, Y, Dearborn, A.D, Grakoui, A, Cohen, J.I, Marcotrigiano, J. | Deposit date: | 2021-05-17 | Release date: | 2021-09-15 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural insights into hepatitis C virus receptor binding and entry. Nature, 598, 2021
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7CE4
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![BU of 7ce4 by Molmil](/molmil-images/mine/7ce4) | Tankyrase2 catalytic domain in complex with K-476 | Descriptor: | 5-[3-[[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]methyl]-2-oxidanylidene-4H-quinazolin-1-yl]-2-fluoranyl-benzenecarbonitrile, Poly [ADP-ribose] polymerase tankyrase-2, SULFATE ION, ... | Authors: | Takahashi, Y, Suzuki, M, Saito, J. | Deposit date: | 2020-06-22 | Release date: | 2021-05-12 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | The dual pocket binding novel tankyrase inhibitor K-476 enhances the efficacy of immune checkpoint inhibitor by attracting CD8 + T cells to tumors. Am J Cancer Res, 11, 2021
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2B5T
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![BU of 2b5t by Molmil](/molmil-images/mine/2b5t) | 2.1 Angstrom structure of a nonproductive complex between antithrombin, synthetic heparin mimetic SR123781 and two S195A thrombin molecules | Descriptor: | 2,3,4,6-tetra-O-sulfonato-alpha-D-glucopyranose-(1-4)-2,3,6-tri-O-sulfo-alpha-D-glucopyranose-(1-4)-2,3,6-tri-O-sulfonato-beta-D-glucopyranose-(1-4)-2,3-di-O-methyl-6-O-sulfonato-alpha-D-glucopyranose-(1-4)-2,3,6-tri-O-methyl-beta-D-glucopyranose-(1-4)-2,3,6-tri-O-methyl-alpha-D-glucopyranose-(1-4)-2,3,6-tri-O-methyl-beta-D-glucopyranose-(1-4)-2,3,6-tri-O-methyl-alpha-D-glucopyranose-(1-4)-2,3,6-tri-O-methyl-beta-D-glucopyranose-(1-4)-2,3,6-tri-O-methyl-alpha-D-glucopyranose-(1-4)-2,3,6-tri-O-methyl-beta-D-glucopyranose-(1-4)-2,3-di-O-methyl-6-O-sulfonato-alpha-D-glucopyranose-(1-4)-2,3-di-O-methyl-beta-D-glucopyranuronic acid-(1-4)-2,3,6-tri-O-sulfo-alpha-D-glucopyranose-(1-4)-2,3-di-O-methyl-alpha-L-idopyranuronic acid-(1-4)-methyl 3-O-methyl-2,6-di-O-sulfo-alpha-D-glucopyranoside, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Johnson, D.J, Li, W, Luis, S.A, Carrell, R.W, Huntington, J.A. | Deposit date: | 2005-09-29 | Release date: | 2006-09-19 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of monomeric native antithrombin reveals a novel reactive center loop conformation. J.Biol.Chem., 281, 2006
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6RTJ
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![BU of 6rtj by Molmil](/molmil-images/mine/6rtj) | Thioredoxin glutathione reductase from Schistosoma mansoni in complex with 1-[(dimethylamino)methyl]-2-naphthol at 1 hour of soaking | Descriptor: | 1-[(dimethylamino)methyl]naphthalen-2-ol, CALCIUM ION, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Angelucci, F, Silvestri, I, Fata, F, Williams, D.L. | Deposit date: | 2019-05-24 | Release date: | 2020-01-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Ectopic suicide inhibition of thioredoxin glutathione reductase. Free Radic Biol Med, 147, 2020
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5VPY
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![BU of 5vpy by Molmil](/molmil-images/mine/5vpy) | Crystal structure of human KRAS G12A mutant in complex with GppNHp | Descriptor: | 2-amino-9-{5-O-[(S)-hydroxy{[(R)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]-alpha-L-xylofuranosyl}-1,9-dihydro-6H-purin-6-one, GTPase KRas, MAGNESIUM ION, ... | Authors: | Xu, S, Long, B, Boris, G, Ni, S, Kennedy, M.A. | Deposit date: | 2017-05-06 | Release date: | 2017-12-06 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural insight into the rearrangement of the switch I region in GTP-bound G12A K-Ras. Acta Crystallogr D Struct Biol, 73, 2017
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5VR4
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![BU of 5vr4 by Molmil](/molmil-images/mine/5vr4) | RNA octamer containing 2'-F-4'-OMe U. | Descriptor: | COBALT TETRAAMMINE ION, RNA (5'-R(*CP*GP*AP*AP*(UMO)P*UP*CP*G)-3') | Authors: | Harp, J.M, Egli, M. | Deposit date: | 2017-05-10 | Release date: | 2017-10-04 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | 4'-C-Methoxy-2'-deoxy-2'-fluoro Modified Ribonucleotides Improve Metabolic Stability and Elicit Efficient RNAi-Mediated Gene Silencing. J. Am. Chem. Soc., 139, 2017
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5VXO
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5VDV
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5ZHW
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![BU of 5zhw by Molmil](/molmil-images/mine/5zhw) | VanYB in complex with D-Alanine-D-Alanine | Descriptor: | COPPER (II) ION, D-ALANINE, D-alanyl-D-alanine carboxypeptidase, ... | Authors: | Kim, H.S, Hahn, H. | Deposit date: | 2018-03-13 | Release date: | 2018-09-05 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Structural basis for the substrate recognition of peptidoglycan pentapeptides by Enterococcus faecalis VanYB. Int. J. Biol. Macromol., 119, 2018
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6K7K
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![BU of 6k7k by Molmil](/molmil-images/mine/6k7k) | Cryo-EM structure of the human P4-type flippase ATP8A1-CDC50 (E1-ADP-Pi state) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ADENOSINE-5'-DIPHOSPHATE, CHOLESTEROL HEMISUCCINATE, ... | Authors: | Hiraizumi, M, Yamashita, K, Nishizawa, T, Nureki, O. | Deposit date: | 2019-06-07 | Release date: | 2019-08-28 | Last modified: | 2021-02-10 | Method: | ELECTRON MICROSCOPY (3.04 Å) | Cite: | Cryo-EM structures capture the transport cycle of the P4-ATPase flippase. Science, 365, 2019
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6RM8
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![BU of 6rm8 by Molmil](/molmil-images/mine/6rm8) | Crystal structure of the DEAH-box ATPase Prp2 in complex with Spp2 and ADP | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ... | Authors: | Hamann, F, Neumann, P, Ficner, R. | Deposit date: | 2019-05-06 | Release date: | 2020-02-05 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural analysis of the intrinsically disordered splicing factor Spp2 and its binding to the DEAH-box ATPase Prp2. Proc.Natl.Acad.Sci.USA, 117, 2020
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7M2H
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5ZE6
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![BU of 5ze6 by Molmil](/molmil-images/mine/5ze6) | CRYSTAL STRUCTURE OF OCTAPRENYL PYROPHOSPHATE SYNTHASE FROM ESCHERICHIA COLI WITH BPH-981 | Descriptor: | 2-hydroxy-6-(tetradecyloxy)benzoic acid, MAGNESIUM ION, Octaprenyl diphosphate synthase | Authors: | Han, X, Liu, W.D, Zheng, Y.Y, Ko, T.P, Chen, C.C, Guo, R.T. | Deposit date: | 2018-02-26 | Release date: | 2019-02-27 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Discovery of Lipophilic Bisphosphonates That Target Bacterial Cell Wall and Quinone Biosynthesis. J.Med.Chem., 62, 2019
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5FWA
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![BU of 5fwa by Molmil](/molmil-images/mine/5fwa) | Crystal Structure of Mus musculus Protein Arginine Methyltransferase 2 with CP1 | Descriptor: | 1,2-ETHANEDIOL, 9-(6-carbamimidamido-5,6-dideoxy-beta-D-ribo-hexofuranosyl)-9H-purin-6-amine, CALCIUM ION, ... | Authors: | Cura, V, Troffer-Charlier, N, Marechal, N, Bonnefond, L, Cavarelli, J. | Deposit date: | 2016-02-16 | Release date: | 2016-11-09 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural studies of protein arginine methyltransferase 2 reveal its interactions with potential substrates and inhibitors. FEBS J., 284, 2017
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3IJ3
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![BU of 3ij3 by Molmil](/molmil-images/mine/3ij3) | 1.8 Angstrom Resolution Crystal Structure of Cytosol Aminopeptidase from Coxiella burnetii | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Cytosol aminopeptidase, ... | Authors: | Minasov, G, Halavaty, A, Shuvalova, L, Dubrovska, I, Winsor, J, Papazisi, L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2009-08-03 | Release date: | 2009-08-11 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | 1.8 Angstrom Resolution Crystal Structure of Cytosol Aminopeptidase from Coxiella burnetii TO BE PUBLISHED
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7BIL
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![BU of 7bil by Molmil](/molmil-images/mine/7bil) | Crystal structure of helicase Pif1 from Thermus oshimai in complex with oligo GGTTTGGTTTGGTT | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DNA (5'-D(*GP*GP*TP*TP*TP*GP*GP*TP*TP*TP*GP*GP*TP*T)-3'), MAGNESIUM ION, ... | Authors: | Dai, Y.X, Chen, W.F, Teng, F.Y, Liu, N.N, Hou, X.M, Dou, S.X, Rety, S, Xi, X.G. | Deposit date: | 2021-01-12 | Release date: | 2021-04-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Structural and functional studies of SF1B Pif1 from Thermus oshimai reveal dimerization-induced helicase inhibition. Nucleic Acids Res., 49, 2021
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6JU1
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![BU of 6ju1 by Molmil](/molmil-images/mine/6ju1) | p-Hydroxybenzoate hydroxylase Y385F mutant complexed with 3,4-dihydroxybenzoate | Descriptor: | 3,4-DIHYDROXYBENZOIC ACID, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, 4-hydroxybenzoate 3-monooxygenase, ... | Authors: | Yato, M, Arakawa, T, Yamada, C, Fushinobu, S. | Deposit date: | 2019-04-12 | Release date: | 2019-11-06 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Understanding the Molecular Mechanism Underlying the High Catalytic Activity ofp-Hydroxybenzoate Hydroxylase Mutants for Producing Gallic Acid. Biochemistry, 58, 2019
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7BUG
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![BU of 7bug by Molmil](/molmil-images/mine/7bug) | Reduced oxygenase of carbazole 1,9a-dioxygenase | Descriptor: | 2-(2-METHOXYETHOXY)ETHANOL, 2-METHOXYETHANOL, CARBONATE ION, ... | Authors: | Matsuzawa, J, Wang, Y.X, Suzuki-Minakuchi, C, Nojiri, H. | Deposit date: | 2020-04-06 | Release date: | 2021-04-07 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Reduced oxygenase of carbazole 1,9a-dioxygenase To Be Published
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6JWP
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![BU of 6jwp by Molmil](/molmil-images/mine/6jwp) | crystal structure of EGOC | Descriptor: | Ego2, GTP-binding protein GTR1, GTP-binding protein GTR2, ... | Authors: | Zhang, T, Ding, J. | Deposit date: | 2019-04-21 | Release date: | 2019-12-11 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structural insights into the EGO-TC-mediated membrane tethering of the TORC1-regulatory Rag GTPases. Sci Adv, 5, 2019
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7LUX
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![BU of 7lux by Molmil](/molmil-images/mine/7lux) | AALALL segment from the Nucleoprotein of SARS-CoV-2, residues 217-222, crystal form 2 | Descriptor: | Nucleoprotein AALALL, TETRAETHYLENE GLYCOL | Authors: | Lu, J, Zee, C.-T, Sawaya, M.R, Rodriguez, J.A, Eisenberg, D.S. | Deposit date: | 2021-02-23 | Release date: | 2021-03-17 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.303 Å) | Cite: | Inhibition of amyloid formation of the Nucleoprotein of SARS-CoV-2. Biorxiv, 2021
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6JXJ
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![BU of 6jxj by Molmil](/molmil-images/mine/6jxj) | Rb+-bound E2-AlF state of the gastric proton pump (Tyr799Trp) | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, ... | Authors: | Abe, K, Irie, K. | Deposit date: | 2019-04-23 | Release date: | 2019-08-14 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | A single K + -binding site in the crystal structure of the gastric proton pump. Elife, 8, 2019
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3I1A
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![BU of 3i1a by Molmil](/molmil-images/mine/3i1a) | Crystal Structure of apo Spectinomycin Phosphotransferase, APH(9)-Ia | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DIMETHYL SULFOXIDE, Spectinomycin phosphotransferase, ... | Authors: | Berghuis, A.M, Fong, D.H, Lemke, C.T, Hwang, J, Xiong, B. | Deposit date: | 2009-06-25 | Release date: | 2010-01-19 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure of the antibiotic resistance factor spectinomycin phosphotransferase from Legionella pneumophila. J.Biol.Chem., 285, 2010
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7M02
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![BU of 7m02 by Molmil](/molmil-images/mine/7m02) | Structure of SARS-CoV-2 3CL protease in complex with inhibitor 17c | Descriptor: | (1R,2S)-2-((S)-2-((((2-fluorobenzyl)oxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((R)-2-oxo-3,4-dihydro-2H-pyrrol-3-yl)propane-1-sulfonic acid, (1S,2S)-2-((S)-2-((((2-fluorobenzyl)oxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((R)-2-oxo-3,4-dihydro-2H-pyrrol-3-yl)propane-1-sulfonic acid, 3C-like proteinase, ... | Authors: | Lovell, S, Kashipathy, M.M, Battaile, K.P, Chamandi, S.D, Rathnayake, A.D, Kim, Y, Perera, K.D, Jesri, A.R.M, Nguyen, H.N, Baird, M.A, Miller, M.J, Groutas, W.C, Chang, K.O. | Deposit date: | 2021-03-10 | Release date: | 2021-03-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure-Guided Design of Potent Inhibitors of SARS-CoV-2 3CL Protease: Structural, Biochemical, and Cell-Based Studies. J.Med.Chem., 64, 2021
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