8F46
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![BU of 8f46 by Molmil](/molmil-images/mine/8f46) | Crystal structure of SARS-CoV-2 3CL protease in complex with a dimethyl phenyl sulfane inhibitor (cyano warhead) | Descriptor: | 3C-like proteinase, N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-{[2-methyl-2-(phenylsulfanyl)propoxy]carbonyl}-L-leucinamide, TETRAETHYLENE GLYCOL | Authors: | Liu, L, Lovell, S, Cooper, A, Battaile, K.P, Dampalla, C.S, Groutas, W.C. | Deposit date: | 2022-11-10 | Release date: | 2022-11-23 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structure-guided design of direct-acting antivirals that exploit the gem-dimethyl effect and potently inhibit 3CL proteases of severe acute respiratory syndrome Coronavirus-2 (SARS-CoV-2) and middle east respiratory syndrome coronavirus (MERS-CoV). Eur.J.Med.Chem., 254, 2023
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8F44
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![BU of 8f44 by Molmil](/molmil-images/mine/8f44) | Crystal structure of SARS-CoV-2 3CL protease in complex with a dimethyl phenyl sulfane inhibitor | Descriptor: | (1R,2S)-1-hydroxy-2-[(N-{[2-methyl-2-(phenylsulfanyl)propoxy]carbonyl}-L-leucyl)amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (2-methyl-2-phenylsulfanyl-propyl) ~{N}-[(2~{S})-1-[[(1~{S},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate, 3C-like proteinase, ... | Authors: | Liu, L, Lovell, S, Cooper, A, Battaile, K.P, Dampalla, C.S, Groutas, W.C. | Deposit date: | 2022-11-10 | Release date: | 2022-11-23 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structure-guided design of direct-acting antivirals that exploit the gem-dimethyl effect and potently inhibit 3CL proteases of severe acute respiratory syndrome Coronavirus-2 (SARS-CoV-2) and middle east respiratory syndrome coronavirus (MERS-CoV). Eur.J.Med.Chem., 254, 2023
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8F8O
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![BU of 8f8o by Molmil](/molmil-images/mine/8f8o) | Crystal Structure of the Succinyl-diaminopimelate Desuccinylase (DapE) from Acinetobacter baumannii in complex with Succinic and L-Lactic Acids | Descriptor: | (2S)-2-HYDROXYPROPANOIC ACID, CITRIC ACID, SUCCINIC ACID, ... | Authors: | Minasov, G, Shuvalova, L, Brunzelle, J.S, Dubrovska, I, Pshenychnyi, S, Satchell, K.J.F, Center for Structural Biology of Infectious Diseases (CSBID), Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2022-11-22 | Release date: | 2022-11-30 | Last modified: | 2023-02-22 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal Structure of the Succinyl-diaminopimelate Desuccinylase (DapE) from Acinetobacter baumannii in complex with Succinic and L-Lactic Acids To Be Published
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5NGN
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![BU of 5ngn by Molmil](/molmil-images/mine/5ngn) | Lybatide 2, a cystine-rich peptide from Lycium barbarum | Descriptor: | ACETONITRILE, GLYCEROL, TETRAETHYLENE GLYCOL, ... | Authors: | Lei, J, Tan, W.L, Sakai, N, Hilgenfeld, R. | Deposit date: | 2017-03-18 | Release date: | 2017-07-26 | Last modified: | 2018-04-11 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Lybatides from Lycium barbarum Contain An Unusual Cystine-stapled Helical Peptide Scaffold. Sci Rep, 7, 2017
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8Q3O
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5LYP
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![BU of 5lyp by Molmil](/molmil-images/mine/5lyp) | Crystal structure of the Tpr Domain of Sgt2. | Descriptor: | BORATE ION, Small glutamine-rich tetratricopeptide repeat-containing protein 2 | Authors: | Krysztofinska, E.M, Morgan, R.M.L, Thapaliya, A, Evans, N.J, Murray, J.W, Martinez-Lumbreras, S, Isaacson, R.L. | Deposit date: | 2016-09-28 | Release date: | 2017-10-25 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structure and Interactions of the TPR Domain of Sgt2 with Yeast Chaperones and Ybr137wp. Front Mol Biosci, 4, 2017
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6CJ6
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![BU of 6cj6 by Molmil](/molmil-images/mine/6cj6) | Structure of the poxvirus protein F9 | Descriptor: | 1,2-ETHANEDIOL, 1,3-PROPANDIOL, 2-(2-METHOXYETHOXY)ETHANOL, ... | Authors: | Diesterbeck, U.S, Gittis, A.G, Garboczi, D.N, Moss, B. | Deposit date: | 2018-02-26 | Release date: | 2019-03-06 | Last modified: | 2019-09-25 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The 2.1 angstrom structure of protein F9 and its comparison to L1, two components of the conserved poxvirus entry-fusion complex. Sci Rep, 8, 2018
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5LZ9
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![BU of 5lz9 by Molmil](/molmil-images/mine/5lz9) | Fragment-based inhibitors of Lipoprotein associated Phospholipase A2 | Descriptor: | 2-fluoranyl-5-[2-[(4~{S})-4-[4-methyl-1,1-bis(oxidanylidene)thian-4-yl]-2-oxidanylidene-pyrrolidin-1-yl]ethoxy]benzenecarbonitrile, CHLORIDE ION, Platelet-activating factor acetylhydrolase, ... | Authors: | Woolford, A, Day, P. | Deposit date: | 2016-09-29 | Release date: | 2016-12-21 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Fragment-Based Approach to the Development of an Orally Bioavailable Lactam Inhibitor of Lipoprotein-Associated Phospholipase A2 (Lp-PLA2). J. Med. Chem., 59, 2016
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8EIF
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5LZ5
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![BU of 5lz5 by Molmil](/molmil-images/mine/5lz5) | Fragment-based inhibitors of Lipoprotein associated Phospholipase A2 | Descriptor: | 2-fluoranyl-5-[2-[(4~{S})-4-methyl-2-oxidanylidene-4-phenyl-pyrrolidin-1-yl]ethoxy]benzenecarbonitrile, CHLORIDE ION, Platelet-activating factor acetylhydrolase | Authors: | Woolford, A.J.A, Day, P.J. | Deposit date: | 2016-09-29 | Release date: | 2016-12-21 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Fragment-Based Approach to the Development of an Orally Bioavailable Lactam Inhibitor of Lipoprotein-Associated Phospholipase A2 (Lp-PLA2). J. Med. Chem., 59, 2016
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8ENJ
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5M2G
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![BU of 5m2g by Molmil](/molmil-images/mine/5m2g) | PCE reductive dehalogenase from S. multivorans in complex with 2,4,6-tribromophenol | Descriptor: | 2,4,6-TRIBROMOPHENOL, BENZAMIDINE, GLYCEROL, ... | Authors: | Kunze, C, Bommer, M, Hagen, W.R, Uksa, M, Dobbek, H, Schubert, T, Diekert, G. | Deposit date: | 2016-10-12 | Release date: | 2017-07-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Cobamide-mediated enzymatic reductive dehalogenation via long-range electron transfer. Nat Commun, 8, 2017
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6R1G
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![BU of 6r1g by Molmil](/molmil-images/mine/6r1g) | Crystal structure of Borrelia burgdorferi periplasmic protein BB0365 (IPLA7, p22) | Descriptor: | Outer surface 22 kDa lipoprotein, TETRAETHYLENE GLYCOL, TRIETHYLENE GLYCOL, ... | Authors: | Brangulis, K, Akopjana, I, Petrovskis, I, Kazaks, A, Tars, K. | Deposit date: | 2019-03-14 | Release date: | 2019-09-18 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structural analysis of Borrelia burgdorferi periplasmic lipoprotein BB0365 involved in Lyme disease infection. Febs Lett., 594, 2020
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6CIG
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![BU of 6cig by Molmil](/molmil-images/mine/6cig) | CRYSTAL STRUCTURE ANALYSIS OF SELENOMETHIONINE SUBSTITUTED ISOFLAVONE O-METHYLTRANSFERASE | Descriptor: | GLYCEROL, Isoflavone-7-O-methyltransferase 8, N-(TRIS(HYDROXYMETHYL)METHYL)-3-AMINOPROPANESULFONIC ACID, ... | Authors: | Zubieta, C, Dixon, R.A, Shabalin, I.G, Kowiel, M, Porebski, P.J, Noel, J.P. | Deposit date: | 2018-02-23 | Release date: | 2018-03-07 | Last modified: | 2022-03-23 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structures of two natural product methyltransferases reveal the basis for substrate specificity in plant O-methyltransferases. Nat. Struct. Biol., 8, 2001
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8EI8
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![BU of 8ei8 by Molmil](/molmil-images/mine/8ei8) | Crystal structure of the WWP2 HECT domain in complex with H308, a Helicon Polypeptide | Descriptor: | 1,2-ETHANEDIOL, H308, N,N'-(1,4-phenylene)diacetamide, ... | Authors: | Li, K, Tokareva, O.S, Thomson, T.M, Verdine, G.L, McGee, J.H. | Deposit date: | 2022-09-14 | Release date: | 2023-10-25 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Recognition and reprogramming of E3 ubiquitin ligase surfaces by alpha-helical peptides. Nat Commun, 14, 2023
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6GLW
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![BU of 6glw by Molmil](/molmil-images/mine/6glw) | Structure of galectin-10 in complex with the Fab fragment of a Charcot-Leyden crystal solubilizing antibody, 1D11 | Descriptor: | ACETATE ION, Fab 1D11 - Heavy chain, Fab 1D11 - Light chain, ... | Authors: | Verstraete, K, Verschueren, K, Savvides, S.N. | Deposit date: | 2018-05-23 | Release date: | 2019-06-05 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Protein crystallization promotes type 2 immunity and is reversible by antibody treatment. Science, 364, 2019
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5LPK
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6GKH
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![BU of 6gkh by Molmil](/molmil-images/mine/6gkh) | CryoEM structure of the MDA5-dsRNA filament in complex with ADP-AlF4 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Interferon-induced helicase C domain-containing protein 1, MAGNESIUM ION, ... | Authors: | Yu, Q, Qu, K, Modis, Y. | Deposit date: | 2018-05-21 | Release date: | 2018-11-21 | Last modified: | 2020-11-18 | Method: | ELECTRON MICROSCOPY (4.06 Å) | Cite: | Cryo-EM Structures of MDA5-dsRNA Filaments at Different Stages of ATP Hydrolysis. Mol. Cell, 72, 2018
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6GKT
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![BU of 6gkt by Molmil](/molmil-images/mine/6gkt) | X-ray structure of a non-autocrystallizing galectin-10 variant, Gal10-Tyr69Glu | Descriptor: | Galectin-10, HEXAETHYLENE GLYCOL, TETRAETHYLENE GLYCOL, ... | Authors: | Verstraete, K, Verschueren, K, Savvides, S.N. | Deposit date: | 2018-05-21 | Release date: | 2019-06-05 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Protein crystallization promotes type 2 immunity and is reversible by antibody treatment. Science, 364, 2019
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5LK4
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![BU of 5lk4 by Molmil](/molmil-images/mine/5lk4) | Structure of the Red Fluorescent Protein mScarlet at pH 7.8 | Descriptor: | DI(HYDROXYETHYL)ETHER, PHOSPHATE ION, TETRAETHYLENE GLYCOL, ... | Authors: | Aumonier, S, Gotthard, G, Royant, A. | Deposit date: | 2016-07-20 | Release date: | 2016-12-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | mScarlet: a bright monomeric red fluorescent protein for cellular imaging. Nat. Methods, 14, 2017
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6R31
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![BU of 6r31 by Molmil](/molmil-images/mine/6r31) | Family 11 Carbohydrate-Binding Module from Clostridium thermocellum in complex with beta-1,3-1,4-mixed-linked tetrasaccharide | Descriptor: | CALCIUM ION, Endoglucanase H, PHOSPHATE ION, ... | Authors: | Ribeiro, D.O, Carvalho, A.L. | Deposit date: | 2019-03-19 | Release date: | 2020-02-05 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Molecular basis for the preferential recognition of beta 1,3-1,4-glucans by the family 11 carbohydrate-binding module from Clostridium thermocellum. Febs J., 287, 2020
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8ETX
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8TXN
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6H0H
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![BU of 6h0h by Molmil](/molmil-images/mine/6h0h) | The ABC transporter associated binding protein from B. animalis subsp. lactis Bl-04 in complex with beta-1,6-galactobiose | Descriptor: | DI(HYDROXYETHYL)ETHER, Probable solute binding protein of ABC transporter system for sugars, TETRAETHYLENE GLYCOL, ... | Authors: | Fredslund, F, Lo Leggio, L. | Deposit date: | 2018-07-09 | Release date: | 2019-06-19 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | Substrate preference of an ABC importer corresponds to selective growth on beta-(1,6)-galactosides inBifidobacterium animalissubsp.lactis. J.Biol.Chem., 294, 2019
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8U8Q
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![BU of 8u8q by Molmil](/molmil-images/mine/8u8q) | V290N/S292F Streptomyces coelicolor Laccase | Descriptor: | BORIC ACID, COPPER (II) ION, Copper oxidase, ... | Authors: | Wang, J.-X, Lu, Y. | Deposit date: | 2023-09-18 | Release date: | 2023-11-15 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Increasing Reduction Potentials of Type 1 Copper Center and Catalytic Efficiency of Small Laccase from Streptomyces coelicolor through Secondary Coordination Sphere Mutations. Angew.Chem.Int.Ed.Engl., 62, 2023
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