8HF8
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![BU of 8hf8 by Molmil](/molmil-images/mine/8hf8) | Human PPAR delta ligand binding domain in complex with a synthetic agonist V1 | Descriptor: | 2-[4-[[2,5-bis(oxidanylidene)-3-[4-(trifluoromethyl)phenyl]imidazolidin-1-yl]methyl]-2,6-dimethyl-phenoxy]-2-methyl-propanoic acid, Peroxisome proliferator-activated receptor delta, octyl beta-D-glucopyranoside | Authors: | Dai, L, Sun, H.B, Yuan, H.L, Feng, Z.Q. | Deposit date: | 2022-11-09 | Release date: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Discovery of the First Subnanomolar PPAR alpha / delta Dual Agonist for the Treatment of Cholestatic Liver Diseases. J.Med.Chem., 66, 2023
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5XLS
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![BU of 5xls by Molmil](/molmil-images/mine/5xls) | Crystal structure of UraA in occluded conformation | Descriptor: | 12-TUNGSTOPHOSPHATE, URACIL, Uracil permease | Authors: | Yu, X.Z, Yang, G.H, Yan, C.Y, Yan, N. | Deposit date: | 2017-05-11 | Release date: | 2017-07-05 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Dimeric structure of the uracil:proton symporter UraA provides mechanistic insights into the SLC4/23/26 transporters Cell Res., 27, 2017
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6PBT
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![BU of 6pbt by Molmil](/molmil-images/mine/6pbt) | Pseudopaline Dehydrogenase with (R)-Pseudopaline Soaked 2 hours | Descriptor: | 1,2-ETHANEDIOL, N-[(3S)-3-amino-3-carboxypropyl]-L-histidine, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | McFarlane, J.S, Lamb, A.L. | Deposit date: | 2019-06-14 | Release date: | 2019-10-30 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Staphylopine and pseudopaline dehydrogenase from bacterial pathogens catalyze reversible reactions and produce stereospecific metallophores. J.Biol.Chem., 294, 2019
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5XJZ
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![BU of 5xjz by Molmil](/molmil-images/mine/5xjz) | Structure of DNA1-Ag complex | Descriptor: | DNA (5'-D(*GP*CP*AP*CP*GP*CP*GP*C)-3'), SILVER ION, SPERMINE | Authors: | Liu, H.H, Gan, J.H. | Deposit date: | 2017-05-04 | Release date: | 2017-12-06 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (0.98 Å) | Cite: | A DNA Structure Containing AgI -Mediated G:G and C:C Base Pairs Angew. Chem. Int. Ed. Engl., 56, 2017
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6PBN
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![BU of 6pbn by Molmil](/molmil-images/mine/6pbn) | Pseudopaline Dehydrogenase with (R)-Pseudopaline Soaked 1 hour | Descriptor: | 1,2-ETHANEDIOL, 2-OXOGLUTARIC ACID, N-[(3S)-3-amino-3-carboxypropyl]-L-histidine, ... | Authors: | McFarlane, J.S, Lamb, A.L. | Deposit date: | 2019-06-14 | Release date: | 2019-10-30 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Staphylopine and pseudopaline dehydrogenase from bacterial pathogens catalyze reversible reactions and produce stereospecific metallophores. J.Biol.Chem., 294, 2019
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6P1L
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![BU of 6p1l by Molmil](/molmil-images/mine/6p1l) | Crystal structure of EGFR in complex with EAI045 | Descriptor: | (2R)-2-(5-fluoro-2-hydroxyphenyl)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)acetamide, Epidermal growth factor receptor, MAGNESIUM ION, ... | Authors: | Heppner, D.E, Eck, M.J. | Deposit date: | 2019-05-20 | Release date: | 2019-12-18 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Discovery and Optimization of Dibenzodiazepinones as Allosteric Mutant-Selective EGFR Inhibitors. Acs Med.Chem.Lett., 10, 2019
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6PBM
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![BU of 6pbm by Molmil](/molmil-images/mine/6pbm) | Pseudopaline Dehydrogenase with NADP+ bound | Descriptor: | 1,2-ETHANEDIOL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Pseudopaline Dehydrogenase | Authors: | McFarlane, J.S, Lamb, A.L. | Deposit date: | 2019-06-14 | Release date: | 2019-10-30 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Staphylopine and pseudopaline dehydrogenase from bacterial pathogens catalyze reversible reactions and produce stereospecific metallophores. J.Biol.Chem., 294, 2019
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6P1D
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![BU of 6p1d by Molmil](/molmil-images/mine/6p1d) | Crystal structure of EGFR with mutant-selective dihydrodibenzodiazepinone allosteric inhibitor | Descriptor: | 10-benzyl-8-fluoro-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one, Epidermal growth factor receptor, MAGNESIUM ION, ... | Authors: | Heppner, D.E, Eck, M.J. | Deposit date: | 2019-05-19 | Release date: | 2019-12-18 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Discovery and Optimization of Dibenzodiazepinones as Allosteric Mutant-Selective EGFR Inhibitors. Acs Med.Chem.Lett., 10, 2019
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4M59
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![BU of 4m59 by Molmil](/molmil-images/mine/4m59) | Crystal structure of the pentatricopeptide repeat protein PPR10 in complex with an 18-nt psaJ RNA element | Descriptor: | Chloroplast pentatricopeptide repeat protein 10, PHOSPHATE ION, psaJ RNA | Authors: | Yin, P, Li, Q, Yan, C, Liu, Y, Yan, N. | Deposit date: | 2013-08-08 | Release date: | 2013-10-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.46 Å) | Cite: | Structural basis for the modular recognition of single-stranded RNA by PPR proteins. Nature, 504, 2013
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3BQJ
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![BU of 3bqj by Molmil](/molmil-images/mine/3bqj) | VA387 polypeptide | Descriptor: | va387 polypeptide | Authors: | Bu, W, Mamedova, A, Tan, M, Jiang, J, Hegde, R. | Deposit date: | 2007-12-20 | Release date: | 2008-04-22 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural basis for the receptor binding specificity of Norwalk virus. J.Virol., 82, 2008
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3BYY
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![BU of 3byy by Molmil](/molmil-images/mine/3byy) | |
3BZD
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![BU of 3bzd by Molmil](/molmil-images/mine/3bzd) | |
3CB8
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![BU of 3cb8 by Molmil](/molmil-images/mine/3cb8) | |
3BVG
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![BU of 3bvg by Molmil](/molmil-images/mine/3bvg) | |
3C0C
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![BU of 3c0c by Molmil](/molmil-images/mine/3c0c) | |
3C8F
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![BU of 3c8f by Molmil](/molmil-images/mine/3c8f) | |
3BYT
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![BU of 3byt by Molmil](/molmil-images/mine/3byt) | |
6FV1
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![BU of 6fv1 by Molmil](/molmil-images/mine/6fv1) | Structure of human coronavirus NL63 main protease in complex with the alpha-ketoamide (S)-N-((S)-4-(benzylamino)-3,4-dioxo-1-((S)-2-oxopyrrolidin-3-yl)butan-2-yl)-2-cinnamamido-4-methylpentanamide (cinnamoyl-leucine-GlnLactam-CO-CO-NH-benzyl) | Descriptor: | (2~{S})-4-methyl-~{N}-[(2~{S},3~{R})-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]pentanamide, 3C-like proteinase, DIMETHYL SULFOXIDE, ... | Authors: | Zhang, L, Hilgenfeld, R. | Deposit date: | 2018-02-28 | Release date: | 2019-03-20 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Alpha-ketoamides as broad-spectrum inhibitors of coronavirus and enterovirus replication Structure-based design, synthesis, and activity assessment. J.Med.Chem., 2020
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5XNE
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8P6H
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![BU of 8p6h by Molmil](/molmil-images/mine/8p6h) | Bovine naive ultralong antibody AbBLV5B8* collected at 100K | Descriptor: | Antibody BLV5B8* heavy chain, Antibody BLV5B8* light chain | Authors: | Clarke, J.D, Douangamath, A, Mikolajek, H, Stuart, D.I, Owens, R.J. | Deposit date: | 2023-05-26 | Release date: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | The impact of chain-exchange on bovine ultralong immunoglobulins. Acta Crystallographica Section F, 2023
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8GPY
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![BU of 8gpy by Molmil](/molmil-images/mine/8gpy) | Crystal structure of Omicron BA.4/5 RBD in complex with a neutralizing antibody scFv | Descriptor: | Spike protein S1, scFv | Authors: | Gao, Y.X, Song, Z.D, Wang, W.M, Guo, Y. | Deposit date: | 2022-08-27 | Release date: | 2023-06-28 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Discovery and characterization of potent pan-variant SARS-CoV-2 neutralizing antibodies from individuals with Omicron breakthrough infection. Nat Commun, 14, 2023
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8H3X
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![BU of 8h3x by Molmil](/molmil-images/mine/8h3x) | Bacteroide Fragilis Toxin in complex with nanobody 282 | Descriptor: | Fragilysin, ZINC ION, nanobody 282 | Authors: | Wen, Y, Guo, Y. | Deposit date: | 2022-10-09 | Release date: | 2023-02-08 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Screening and epitope characterization of diagnostic nanobody against total and activated Bacteroides fragilis toxin. Front Immunol, 14, 2023
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8H3Y
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![BU of 8h3y by Molmil](/molmil-images/mine/8h3y) | Bacteroide Fragilis Toxin in complex with nanobody 327 | Descriptor: | Fragilysin, Nanobody 327, ZINC ION | Authors: | Wen, Y, Guo, Y. | Deposit date: | 2022-10-09 | Release date: | 2023-02-08 | Last modified: | 2023-03-15 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Screening and epitope characterization of diagnostic nanobody against total and activated Bacteroides fragilis toxin. Front Immunol, 14, 2023
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4MJS
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![BU of 4mjs by Molmil](/molmil-images/mine/4mjs) | crystal structure of a PB1 complex | Descriptor: | 1,2-ETHANEDIOL, Protein kinase C zeta type, Sequestosome-1 | Authors: | Ren, J, Wang, Z.X, Wu, J.W. | Deposit date: | 2013-09-04 | Release date: | 2014-08-27 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural and biochemical insights into the homotypic PB1-PB1 complex between PKC zeta and p62 Sci China Life Sci, 57, 2014
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6XOG
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![BU of 6xog by Molmil](/molmil-images/mine/6xog) | Structure of SUMO1-ML786519 adduct bound to SAE | Descriptor: | SULFATE ION, SUMO-activating enzyme subunit 1, SUMO-activating enzyme subunit 2, ... | Authors: | Sintchak, M, Lane, W, Bump, N. | Deposit date: | 2020-07-07 | Release date: | 2021-03-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Discovery of TAK-981, a First-in-Class Inhibitor of SUMO-Activating Enzyme for the Treatment of Cancer. J.Med.Chem., 64, 2021
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