6STT
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![BU of 6stt by Molmil](/molmil-images/mine/6stt) | Adenovirus 29 Fiber Knob protein in complex with Sialic acid | Descriptor: | Fiber, N-acetyl-alpha-neuraminic acid | Authors: | Baker, A.T, Mundy, R.M, Rizkallah, P.J, Parker, A.L. | Deposit date: | 2019-09-11 | Release date: | 2021-03-31 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Broad sialic acid usage amongst species D human adenovirus npj Viruses, 1, 2023
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6STV
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![BU of 6stv by Molmil](/molmil-images/mine/6stv) | Adenovirus 29 Fiber Knob protein | Descriptor: | Fiber, GLYCEROL, PHOSPHATE ION | Authors: | Mundy, R.M, Baker, A.T, Rizkallah, P.J, Parker, A.L. | Deposit date: | 2019-09-11 | Release date: | 2021-03-31 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Broad sialic acid usage amongst species D human adenovirus npj Viruses, 1, 2023
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7TQ7
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![BU of 7tq7 by Molmil](/molmil-images/mine/7tq7) | Structure of MERS 3CL protease in complex with the cyclopropane based inhibitor 13c | Descriptor: | N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-({[(1R,2R)-2-propylcyclopropyl]methoxy}carbonyl)-L-leucinamide, Orf1a protein, TETRAETHYLENE GLYCOL | Authors: | Lovell, S, Liu, L, Battaile, K.P, Nguyen, H.N, Chamandi, S.D, Picard, H.R, Madden, T.K, Thruman, H.A, Kim, Y, Groutas, W.C, Chang, K.O. | Deposit date: | 2022-01-26 | Release date: | 2022-02-09 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Broad-Spectrum Cyclopropane-Based Inhibitors of Coronavirus 3C-like Proteases: Biochemical, Structural, and Virological Studies. Acs Pharmacol Transl Sci, 6, 2023
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6ML9
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![BU of 6ml9 by Molmil](/molmil-images/mine/6ml9) | Crystal structure of the periplasmic Lysine-, Arginine-, Ornithine-binding protein (LAO) D30A mutant from Salmonella typhimurium complexed with arginine | Descriptor: | ACETATE ION, ARGININE, GLYCEROL, ... | Authors: | Romero-Romero, S, Vergara, R, Espinoza-Perez, G, Rodriguez-Romero, A. | Deposit date: | 2018-09-27 | Release date: | 2019-08-07 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.687 Å) | Cite: | The interplay of protein-ligand and water-mediated interactions shape affinity and selectivity in the LAO binding protein. Febs J., 287, 2020
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5N07
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![BU of 5n07 by Molmil](/molmil-images/mine/5n07) | |
5JML
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![BU of 5jml by Molmil](/molmil-images/mine/5jml) | X-ray structure of the complex between bovine pancreatic ribonuclease and penthachlorocarbonyliridate(III) (2 months of soaking) | Descriptor: | CARBON MONOXIDE, CHLORIDE ION, IRIDIUM ION, ... | Authors: | Caterino, M, Petruk, A.A, Vergara, A, Ferraro, G, Merlino, A. | Deposit date: | 2016-04-29 | Release date: | 2016-07-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Mapping the protein-binding sites for iridium(iii)-based CO-releasing molecules. Dalton Trans, 45, 2016
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7C0E
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5N1I
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6MLN
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![BU of 6mln by Molmil](/molmil-images/mine/6mln) | Crystal structure of the periplasmic Lysine-, Arginine-, Ornithine-binding protein (LAO) S72A mutant from Salmonella typhimurium complexed with arginine | Descriptor: | ACETATE ION, ARGININE, GLYCEROL, ... | Authors: | Romero-Romero, S, Vergara, R, Espinoza-Perez, G, Rodriguez-Romero, A. | Deposit date: | 2018-09-27 | Release date: | 2019-08-07 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.721 Å) | Cite: | The interplay of protein-ligand and water-mediated interactions shape affinity and selectivity in the LAO binding protein. Febs J., 287, 2020
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6FBG
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![BU of 6fbg by Molmil](/molmil-images/mine/6fbg) | KlenTaq DNA polymerase processing a modified primer - bearing the modification upstream at the fifth primer nucleotide. | Descriptor: | 1,2-ETHANEDIOL, 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]guanosine, DNA (5'-D(*AP*AP*AP*CP*GP*CP*CP*GP*GP*TP*GP*TP*GP*GP*TP*C)-3'), ... | Authors: | Kropp, H.M, Diederichs, K, Marx, A. | Deposit date: | 2017-12-19 | Release date: | 2018-09-26 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.702 Å) | Cite: | Snapshots of a modified nucleotide moving through the confines of a DNA polymerase. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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4YJZ
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8PIE
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![BU of 8pie by Molmil](/molmil-images/mine/8pie) | Crystal structure of the human nucleoside diphosphate kinase B domain in complex with the product AT-8500 formed by catalysis of compound AT-9010 | Descriptor: | GLYCEROL, Nucleoside diphosphate kinase B, [(2~{R},3~{R},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-4-fluoranyl-4-methyl-3-oxidanyl-oxolan-2-yl]methyl phosphono hydrogen phosphate | Authors: | Feracci, M, Chazot, A, Ferron, F, Alvarez, K, Canard, B. | Deposit date: | 2023-06-21 | Release date: | 2024-07-31 | Last modified: | 2024-09-04 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The activation cascade of the broad-spectrum antiviral bemnifosbuvir characterized at atomic resolution. Plos Biol., 22, 2024
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5N49
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![BU of 5n49 by Molmil](/molmil-images/mine/5n49) | BRPF2 in complex with Compound 7 | Descriptor: | 2-(1,3,6-trimethyl-2-oxidanylidene-benzimidazol-5-yl)benzo[de]isoquinoline-1,3-dione, Bromodomain-containing protein 1 | Authors: | Bouche, L, Christ, C.D, Siegel, S, Fernandez-Montalvan, A.E, Holton, S.J, Fedorov, O, ter Laak, A, Sugawara, T, Stoeckigt, D, Tallant, C, Bennett, J, Monteiro, O, Saez, L.D, Siejka, P, Meier, J, Puetter, V, Weiske, J, Mueller, S, Huber, K.V.M, Hartung, I.V, Haendler, B. | Deposit date: | 2017-02-10 | Release date: | 2017-05-03 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Benzoisoquinolinediones as Potent and Selective Inhibitors of BRPF2 and TAF1/TAF1L Bromodomains. J. Med. Chem., 60, 2017
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6FD3
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![BU of 6fd3 by Molmil](/molmil-images/mine/6fd3) | Thiophosphorylated PAK3 kinase domain | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Sorrell, F.J, Wang, D, von Delft, F, Bountra, C, Edwards, A.M, Elkins, J.M. | Deposit date: | 2017-12-21 | Release date: | 2018-01-03 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Solution structures and biophysical analysis of full-length group A PAKs reveal they are monomeric and auto-inhibited incis. Biochem.J., 476, 2019
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6C7L
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![BU of 6c7l by Molmil](/molmil-images/mine/6c7l) | Structure of Iron containing alcohol dehydrogenase from Thermococcus thioreducens in a tetragonal crystal form | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 2'-MONOPHOSPHOADENOSINE-5'-DIPHOSPHATE, ... | Authors: | Jones, J.A, Larson, S.B, McPherson, A. | Deposit date: | 2018-01-22 | Release date: | 2019-02-06 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | The structure of an iron-containing alcohol dehydrogenase from a hyperthermophilic archaeon in two chemical states. Acta Crystallogr F Struct Biol Commun, 75, 2019
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7ZH7
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4Y3Z
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![BU of 4y3z by Molmil](/molmil-images/mine/4y3z) | Endothiapepsin in complex with fragment 41 | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Endothiapepsin, ... | Authors: | Radeva, N, Uehlein, M, Weiss, M.S, Heine, A, Klebe, G. | Deposit date: | 2015-02-10 | Release date: | 2016-02-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.12 Å) | Cite: | Crystallographic Fragment Screening of an Entire Library To Be Published
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6FFL
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![BU of 6ffl by Molmil](/molmil-images/mine/6ffl) | Maltose/maltodextrin-binding domain MalE from Bdellovibrio bacteriovorus bound to maltotriose | Descriptor: | Maltose/maltodextrin transport permease homologue, PLATINUM (II) ION, SULFATE ION, ... | Authors: | Licht, A, Werther, T, Bommer, M, Neumann, K, Schneider, E. | Deposit date: | 2018-01-08 | Release date: | 2018-01-24 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.707 Å) | Cite: | Structural and functional characterization of a maltose/maltodextrin ABC transporter comprising a single solute binding domain (MalE) fused to the transmembrane subunit MalF. Res. Microbiol., 170, 2018
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6ZG0
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![BU of 6zg0 by Molmil](/molmil-images/mine/6zg0) | SARM1 SAM1-2 domains | Descriptor: | 1,2-ETHANEDIOL, BETA-MERCAPTOETHANOL, DI(HYDROXYETHYL)ETHER, ... | Authors: | Sporny, M, Guez-Haddad, J, Khazma, T, Yaron, A, Dessau, M, Mim, C, Isupov, M.N, Zalk, R, Hons, M, Opatowsky, Y. | Deposit date: | 2020-06-18 | Release date: | 2020-11-11 | Last modified: | 2020-12-09 | Method: | ELECTRON MICROSCOPY (7.7 Å) | Cite: | Structural basis for SARM1 inhibition and activation under energetic stress. Elife, 9, 2020
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6VJT
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4Y56
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![BU of 4y56 by Molmil](/molmil-images/mine/4y56) | Endothiapepsin in complex with fragment 58 | Descriptor: | 1,2-ETHANEDIOL, 1-(1,3-dimethyl-1H-pyrazol-5-yl)methanamine, DIMETHYL SULFOXIDE, ... | Authors: | Radeva, N, Heine, A, Klebe, G. | Deposit date: | 2015-02-11 | Release date: | 2016-03-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Crystallographic Fragment Screening of an Entire Library To Be Published
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6FJ6
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6T2E
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![BU of 6t2e by Molmil](/molmil-images/mine/6t2e) | Multicomponent Peptide Stapling as a Diversity-Driven Tool for the Development of Inhibitors of Protein-Protein Interactions | Descriptor: | E3 ubiquitin-protein ligase Mdm2, Stapled peptide GAR300-Gm | Authors: | Groves, R.M, Ali, M.A, Atmaj, J, van Oosterwijk, N, Domling, A, Rivera, G.D, Ricardo, G.M. | Deposit date: | 2019-10-08 | Release date: | 2020-01-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Multicomponent Peptide Stapling as a Diversity-Driven Tool for the Development of Inhibitors of Protein-Protein Interactions. Angew.Chem.Int.Ed.Engl., 59, 2020
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7BSB
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![BU of 7bsb by Molmil](/molmil-images/mine/7bsb) | Mevo lectin- Native form-2 | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, lectin | Authors: | Sivaji, N, Suguna, K, Surolia, A, Vijayan, M. | Deposit date: | 2020-03-30 | Release date: | 2021-02-03 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Structural and related studies on Mevo lectin from Methanococcus voltae A3: the first thorough characterization of an archeal lectin and its interactions. Glycobiology, 31, 2021
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5JCZ
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![BU of 5jcz by Molmil](/molmil-images/mine/5jcz) | Rab11 bound to MyoVa-GTD | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, BERYLLIUM TRIFLUORIDE ION, ... | Authors: | Pylypenko, O, Attanda, W, Gauquelin, C, Malherbes, G, Houdusse, A. | Deposit date: | 2016-04-15 | Release date: | 2016-09-28 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.056 Å) | Cite: | Coordinated recruitment of Spir actin nucleators and myosin V motors to Rab11 vesicle membranes. Elife, 5, 2016
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