6GNT
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![BU of 6gnt by Molmil](/molmil-images/mine/6gnt) | Crystal Structure of Leishmania major N-Myristoyltransferase (NMT) With Bound Myristoyl-CoA and a Quionlinyl aryl sulphonamide ligand | Descriptor: | 4-[4-(1-methylpiperidin-4-yl)butyl]-~{N}-(6-pyrrolidin-1-ylquinolin-5-yl)benzenesulfonamide, GLYCEROL, Glycylpeptide N-tetradecanoyltransferase, ... | Authors: | Robinson, D.A, Harrison, J.R, Brand, S, Smith, V.C, Thompson, S, Smith, A, Davies, K, Mok, N.Y, Torrie, L.S, Collie, I, Hallyburton, I, Norval, S, Simeons, F.R.C, Stojanovski, L, Frearson, J.A, Brenk, R, Wyatt, P.G, Gilbert, I.H, Read, K.D. | Deposit date: | 2018-05-31 | Release date: | 2018-09-26 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | A Molecular Hybridization Approach for the Design of Potent, Highly Selective, and Brain-Penetrant N-Myristoyltransferase Inhibitors. J. Med. Chem., 61, 2018
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6VB4
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![BU of 6vb4 by Molmil](/molmil-images/mine/6vb4) | HLA-B*15:02 complexed with a synthetic peptide | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Beta-2-microglobulin, ... | Authors: | Schutte, R.J, Li, D, Andring, J, McKenna, R, Ostrov, D.A. | Deposit date: | 2019-12-18 | Release date: | 2020-11-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.334 Å) | Cite: | HLA-B*15:02 complexed with a synthetic peptide To Be Published
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7EB3
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![BU of 7eb3 by Molmil](/molmil-images/mine/7eb3) | Cryo-EM structure of SARS-CoV-2 Spike D614G variant, one RBD-up conformation 3 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | Authors: | Yang, T.J, Yu, P.Y, Chang, Y.C, Hsu, S.T.D. | Deposit date: | 2021-03-08 | Release date: | 2021-06-23 | Last modified: | 2022-01-05 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | D614G mutation in the SARS-CoV-2 spike protein enhances viral fitness by desensitizing it to temperature-dependent denaturation. J.Biol.Chem., 297, 2021
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6QDW
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![BU of 6qdw by Molmil](/molmil-images/mine/6qdw) | Cryo-EM structure of the 50S ribosomal subunit at 2.83 Angstroms with modeled GBC SecM peptide | Descriptor: | 23S rRNA, 50S ribosomal protein L13, 50S ribosomal protein L14, ... | Authors: | Schulte, L, Reitz, J, Hodirnau, V.V, Kudlinzki, D, Mao, J, Glaubitz, C, Frangakis, A, Schwalbe, H. | Deposit date: | 2019-01-03 | Release date: | 2020-01-15 | Last modified: | 2020-12-02 | Method: | ELECTRON MICROSCOPY (2.83 Å) | Cite: | Cysteine oxidation and disulfide formation in the ribosomal exit tunnel. Nat Commun, 11, 2020
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5D6Y
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![BU of 5d6y by Molmil](/molmil-images/mine/5d6y) | Crystal structure of double tudor domain of human lysine demethylase KDM4A complexed with histone H3K23me3 | Descriptor: | Lysine-specific demethylase 4A, peptide H3K23me3 (19-28) | Authors: | Wang, F, Su, Z, Miller, M.D, Denu, J.M, Phillips Jr, G.N, Enzyme Discovery for Natural Product Biosynthesis (NatPro) | Deposit date: | 2015-08-13 | Release date: | 2016-02-10 | Last modified: | 2019-12-25 | Method: | X-RAY DIFFRACTION (2.287 Å) | Cite: | Reader domain specificity and lysine demethylase-4 family function. Nat Commun, 7, 2016
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8V9M
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![BU of 8v9m by Molmil](/molmil-images/mine/8v9m) | Human Ornithine Aminotransferase cocrystallized with its inhibitor, (R)-3-amino-5,5-difluorocyclohex-1-ene-1-carboxylic acid. | Descriptor: | 3-fluoro-5-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]benzoic acid, GLYCEROL, Ornithine aminotransferase, ... | Authors: | Vargas, A.L, Devitt, A, Kaley, N, Silverman, R, Liu, D. | Deposit date: | 2023-12-08 | Release date: | 2024-05-08 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Design, Synthesis, and Mechanistic Studies of ( R )-3-Amino-5,5-difluorocyclohex-1-ene-1-carboxylic Acid as an Inactivator of Human Ornithine Aminotransferase. Acs Chem.Biol., 19, 2024
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7EB4
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![BU of 7eb4 by Molmil](/molmil-images/mine/7eb4) | Cryo-EM structure of SARS-CoV-2 Spike D614G variant, two RBD-up conformation 1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | Authors: | Yang, T.J, Yu, P.Y, Chang, Y.C, Hsu, S.T.D. | Deposit date: | 2021-03-08 | Release date: | 2021-06-23 | Last modified: | 2022-01-05 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | D614G mutation in the SARS-CoV-2 spike protein enhances viral fitness by desensitizing it to temperature-dependent denaturation. J.Biol.Chem., 297, 2021
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4Y90
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![BU of 4y90 by Molmil](/molmil-images/mine/4y90) | Crystal structure of Triosephosphate Isomerase from Deinococcus radiodurans | Descriptor: | CALCIUM ION, GLYCEROL, SODIUM ION, ... | Authors: | Romero-Romero, S, Rodriguez-Romero, A, Fernadez-Velasco, D.A. | Deposit date: | 2015-02-16 | Release date: | 2015-07-15 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Reversibility and two state behaviour in the thermal unfolding of oligomeric TIM barrel proteins. Phys Chem Chem Phys, 17, 2015
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3LPR
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![BU of 3lpr by Molmil](/molmil-images/mine/3lpr) | |
3MIN
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![BU of 3min by Molmil](/molmil-images/mine/3min) | NITROGENASE MOFE PROTEIN FROM AZOTOBACTER VINELANDII, OXIDIZED STATE | Descriptor: | 3-HYDROXY-3-CARBOXY-ADIPIC ACID, CALCIUM ION, FE(8)-S(7) CLUSTER, ... | Authors: | Peters, J.W, Stowell, M.H.B, Soltis, S.M, Day, M.W, Kim, J, Rees, D.C. | Deposit date: | 1996-12-20 | Release date: | 1997-04-01 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Redox-dependent structural changes in the nitrogenase P-cluster. Biochemistry, 36, 1997
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7X1Y
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![BU of 7x1y by Molmil](/molmil-images/mine/7x1y) | Structure of the phosphorylation-site double mutant S431A/T432A of the KaiC circadian clock protein | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Circadian clock oscillator protein KaiC, MAGNESIUM ION | Authors: | Han, X, Zhang, D.L, Hong, L, Yu, D.Q, Wu, Z.L, Yang, T, Rust, M.J, Tu, Y.H, Ouyang, Q. | Deposit date: | 2022-02-25 | Release date: | 2023-04-26 | Last modified: | 2023-11-08 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Determining subunit-subunit interaction from statistics of cryo-EM images: observation of nearest-neighbor coupling in a circadian clock protein complex Nat Commun, 14, 2023
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5DFM
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![BU of 5dfm by Molmil](/molmil-images/mine/5dfm) | Structure of Tetrahymena telomerase p19 fused to MBP | Descriptor: | GLYCEROL, Maltose-binding periplasmic protein,Telomerase-associated protein 19, SULFATE ION, ... | Authors: | Chan, H, Cascio, D, Sawaya, M.R, Feigon, J. | Deposit date: | 2015-08-27 | Release date: | 2015-10-28 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.301 Å) | Cite: | Structure of Tetrahymena telomerase reveals previously unknown subunits, functions, and interactions. Science, 350, 2015
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7RBZ
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![BU of 7rbz by Molmil](/molmil-images/mine/7rbz) | X-ray Structure of SARS-CoV-2 main protease covalently modified by compound GRL-017-20 | Descriptor: | 3C-like proteinase, 5-chloropyridin-3-yl 2,3-dihydro-1H-indole-4-carboxylate | Authors: | Mesecar, A.D, Anson, B.A, Ghosh, A.K, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2021-07-06 | Release date: | 2021-09-29 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Indole Chloropyridinyl Ester-Derived SARS-CoV-2 3CLpro Inhibitors: Enzyme Inhibition, Antiviral Efficacy, Structure-Activity Relationship, and X-ray Structural Studies. J.Med.Chem., 64, 2021
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5HNG
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![BU of 5hng by Molmil](/molmil-images/mine/5hng) | DISCOVERY OF NOVEL 7-AZAINDOLES AS PDK1 INHIBITORS | Descriptor: | 3-phosphoinositide-dependent protein kinase 1, 6-methoxy-2-(1H-pyrazol-5-yl)-1H-benzimidazole, SULFATE ION | Authors: | Wucherer-Plietker, M, Esdar, C, Knoechel, T, Hillertz, P, Heinrich, T, Buchstaller, H.P, Greiner, H, Dorsch, D, Calderini, M, Bruge, D, Mueller, T.J.J, Graedler, U. | Deposit date: | 2016-01-18 | Release date: | 2016-06-08 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.01 Å) | Cite: | Discovery of novel 7-azaindoles as PDK1 inhibitors. Bioorg.Med.Chem.Lett., 26, 2016
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6UZQ
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![BU of 6uzq by Molmil](/molmil-images/mine/6uzq) | |
4MJ2
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![BU of 4mj2 by Molmil](/molmil-images/mine/4mj2) | Crystal structure of apo-iduronidase in the R3 form | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-L-iduronidase, ... | Authors: | Bie, H, Yin, J, He, X, Kermode, A.R, Goddard-Borger, E.D, Withers, S.G, James, M.N.G. | Deposit date: | 2013-09-03 | Release date: | 2013-09-18 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Insights into mucopolysaccharidosis I from the structure and action of alpha-L-iduronidase. Nat.Chem.Biol., 9, 2013
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5HBE
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![BU of 5hbe by Molmil](/molmil-images/mine/5hbe) | CDK8-CYCC IN COMPLEX WITH 8-[3-Chloro-5-(1-methyl-2,2-dioxo-2, 3-dihydro-1H-2l6-benzo[c]isothiazol-5-yl)-pyridin- 4-yl]-1-oxa-3,8-diaza-spiro[4.5]decan-2-one | Descriptor: | 1,2-ETHANEDIOL, 8-[3-chloranyl-5-[1-methyl-2,2-bis(oxidanylidene)-3~{H}-2,1-benzothiazol-5-yl]pyridin-4-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one, Cyclin-C, ... | Authors: | Musil, D, Blagg, J, Mallinger, A. | Deposit date: | 2015-12-31 | Release date: | 2016-02-03 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Discovery of Potent, Selective, and Orally Bioavailable Small-Molecule Modulators of the Mediator Complex-Associated Kinases CDK8 and CDK19. J.Med.Chem., 59, 2016
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5SWD
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![BU of 5swd by Molmil](/molmil-images/mine/5swd) | Structure of the adenine riboswitch aptamer domain in an intermediate-bound state | Descriptor: | ADENINE, MAGNESIUM ION, Vibrio vulnificus strain 93U204 chromosome II, ... | Authors: | Stagno, J.R, Wang, Y.-X, Liu, Y, Bhandari, Y.R, Conrad, C.E, Nelson, G, Li, C, Wendel, D.R, White, T.A, Barty, A, Tuckey, R.A, Zatsepin, N.A, Grant, T.D, Fromme, P, Tan, K, Ji, X, Spence, J.C.H. | Deposit date: | 2016-08-08 | Release date: | 2016-11-23 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structures of riboswitch RNA reaction states by mix-and-inject XFEL serial crystallography. Nature, 541, 2017
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6B2Y
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![BU of 6b2y by Molmil](/molmil-images/mine/6b2y) | Apo YiuA Crystal Form 2 | Descriptor: | SODIUM ION, Solute-binding periplasmic protein of iron/siderophore ABC transporter | Authors: | Radka, C.D, DeLucas, L.J, Aller, S.G. | Deposit date: | 2017-09-20 | Release date: | 2017-11-15 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | The crystal structure of the Yersinia pestis iron chaperone YiuA reveals a basic triad binding motif for the chelated metal. Acta Crystallogr D Struct Biol, 73, 2017
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6GZY
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![BU of 6gzy by Molmil](/molmil-images/mine/6gzy) | HOIP-fragment5 complex | Descriptor: | 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase RNF31, SODIUM ION, ... | Authors: | Johansson, H, Tsai, Y.C.I, Fantom, K, Chung, C.W, Martino, L, House, D, Rittinger, K. | Deposit date: | 2018-07-05 | Release date: | 2019-01-30 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Fragment-Based Covalent Ligand Screening Enables Rapid Discovery of Inhibitors for the RBR E3 Ubiquitin Ligase HOIP. J. Am. Chem. Soc., 141, 2019
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6FCM
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![BU of 6fcm by Molmil](/molmil-images/mine/6fcm) | Crystal structure of human PCNA | Descriptor: | Proliferating cell nuclear antigen | Authors: | Housset, D, Frachet, P. | Deposit date: | 2017-12-20 | Release date: | 2019-01-30 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Cytosolic PCNA interacts with p47phox and controls NADPH oxidase NOX2 activation in neutrophils. J.Exp.Med., 216, 2019
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5AD2
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![BU of 5ad2 by Molmil](/molmil-images/mine/5ad2) | Bivalent binding to BET bromodomains | Descriptor: | (3R)-4-(2-{4-[1-(3-chloro[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-4-piperidinyl]phenoxy}ethyl)-1,3-dimethyl-2-piperazinone, BROMODOMAIN-CONTAINING PROTEIN 4 | Authors: | Waring, M.J, Chen, H, Rabow, A.A, Walker, G, Bobby, R, Boiko, S, Bradbury, R.H, Callis, R, Dale, I, Daniels, D, Flavell, L, Holdgate, G, Jowitt, T.A, Kikhney, A, McAlister, M, Ogg, D, Patel, J, Petteruti, P, Robb, G.R, Robers, M, Stratton, N, Svergun, D.I, Wang, W, Whittaker, D. | Deposit date: | 2015-08-19 | Release date: | 2016-09-28 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Potent and Selective Bivalent Inhibitors of Bet Bromodomains Nat.Chem.Biol., 12, 2016
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7ANM
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![BU of 7anm by Molmil](/molmil-images/mine/7anm) | Nudaurelia capensis omega virus capsid: virus-like particles expressed in Nicotiana benthamiana | Descriptor: | p70 | Authors: | Castells-Graells, R, Ribeiro, J.R.S, Domitrovic, T, Hesketh, E.L, Scarff, C.A, Johnson, J.E, Ranson, N.A, Lawson, D.M, Lomonossoff, G.P. | Deposit date: | 2020-10-12 | Release date: | 2021-08-25 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (2.72 Å) | Cite: | Plant-expressed virus-like particles reveal the intricate maturation process of a eukaryotic virus. Commun Biol, 4, 2021
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7ATA
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![BU of 7ata by Molmil](/molmil-images/mine/7ata) | Nudaurelia capensis omega virus procapsid: virus-like particles expressed in Nicotiana benthamiana | Descriptor: | p70 | Authors: | Castells-Graells, R, Ribeiro, J.R.S, Domitrovic, T, Hesketh, E.L, Scarff, C.A, Johnson, J.E, Ranson, N.A, Lawson, D.M, Lomonossoff, G.P. | Deposit date: | 2020-10-29 | Release date: | 2021-08-25 | Method: | ELECTRON MICROSCOPY (6.63 Å) | Cite: | Plant-expressed virus-like particles reveal the intricate maturation process of a eukaryotic virus. Commun Biol, 4, 2021
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7K23
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![BU of 7k23 by Molmil](/molmil-images/mine/7k23) | |