8VKA
| Crystal structure of Plasmodium vivax glycylpeptide N-tetradecanoyltransferase (N-myristoyltransferase, NMT) bound to myristoyl-CoA and inhibitor 9c | Descriptor: | 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, CHLORIDE ION, GLYCEROL, ... | Authors: | Fenwick, M.K, Staker, B.L, Phan, I.Q, Early, J, Myler, P.J, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | Deposit date: | 2024-01-08 | Release date: | 2024-07-17 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Exploring Subsite Selectivity within Plasmodium vivax N -Myristoyltransferase Using Pyrazole-Derived Inhibitors. J.Med.Chem., 67, 2024
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8X2S
| The Crystal Structure of BPGM from Biortus | Descriptor: | 1,2-ETHANEDIOL, Bisphosphoglycerate mutase | Authors: | Wang, F, Cheng, W, Yuan, Z, Qi, J, Li, J. | Deposit date: | 2023-11-10 | Release date: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The Crystal Structure of BPGM from Biortus To Be Published
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8YRT
| Crystal structure of D-amino acid transaminase from Haliscomenobacter hydrossis in the holo form obtained at pH 7.0 | Descriptor: | Aminotransferase class IV, PYRIDOXAL-5'-PHOSPHATE | Authors: | Matyuta, I.O, Bakunova, A.K, Minyaev, M.E, Popov, V.O, Boyko, K.M. | Deposit date: | 2024-03-21 | Release date: | 2024-04-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of D-amino acid transaminase from Haliscomenobacter hydrossis in the holo form obtained at pH 7.0 To Be Published
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8ZHA
| HIV-1 integrase core domain in complex with compound 15 | Descriptor: | (2~{S})-2-[7-(cycloheptylcarbamoyl)-4',5-dimethyl-spiro[1,2-dihydroindene-3,1'-cyclohexane]-4-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid, Integrase, SULFATE ION, ... | Authors: | Furuzono, T, Orita, T, Nomura, A, Adachi, T. | Deposit date: | 2024-05-10 | Release date: | 2024-07-10 | Last modified: | 2024-07-24 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Design and synthesis of novel and potent allosteric HIV-1 integrase inhibitors with a spirocyclic moiety. Bioorg.Med.Chem.Lett., 110, 2024
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8XPN
| The Crystal Structure of USP8 from Biortus. | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Ubiquitin carboxyl-terminal hydrolase 8, ... | Authors: | Wang, F, Cheng, W, Yuan, Z, Lin, D, Wang, J. | Deposit date: | 2024-01-04 | Release date: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The Crystal Structure of USP8 from Biortus. To Be Published
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9EUD
| The FK1 domain of FKBP51 in complex with SAFit-analog 23c | Descriptor: | (1-propan-2-ylpyrazol-4-yl)methyl (2S)-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidine-2-carboxylate, Peptidyl-prolyl cis-trans isomerase FKBP5 | Authors: | Meyners, C, Buffa, V, Hausch, F. | Deposit date: | 2024-03-27 | Release date: | 2024-06-12 | Method: | X-RAY DIFFRACTION (2.022 Å) | Cite: | 1,4-Pyrazolyl-containing SAFit-analogues are selective FKBP51 inhibitors with improved ligand efficiency and drug-like profile. Chemmedchem, 2024
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9EY6
| Crystal structure of human tyrosinase-related protein 1 (TYRP1) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 5,6-dihydroxyindole-2-carboxylic acid oxidase, ... | Authors: | Ng, Y.M, Soler-Lopez, M. | Deposit date: | 2024-04-09 | Release date: | 2024-05-22 | Last modified: | 2024-07-03 | Method: | X-RAY DIFFRACTION (2.228 Å) | Cite: | Interactions of Phenylalanine Derivatives with Human Tyrosinase: Lessons from Experimental and Theoretical tudies. Chembiochem, 25, 2024
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8VZ4
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8X2P
| The Crystal Structure of LCK from Biortus. | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, TETRAETHYLENE GLYCOL, ... | Authors: | Wang, F, Cheng, W, Lv, Z, Meng, Q, Lu, Y. | Deposit date: | 2023-11-10 | Release date: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | The Crystal Structure of LCK from Biortus. To Be Published
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9EPL
| Mpro from SARS-CoV-2 with 298Q mutation | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Non-structural protein 11, ... | Authors: | Plewka, J, Lis, K, Czarna, A, Pyrc, K, Kantyka, T, Chykunova, Y. | Deposit date: | 2024-03-18 | Release date: | 2024-04-17 | Last modified: | 2024-04-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | SARS-CoV-2 M pro oligomerization as a potential target for therapy. Int.J.Biol.Macromol., 267, 2024
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8WWR
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8VKB
| Crystal structure of Plasmodium vivax glycylpeptide N-tetradecanoyltransferase (N-myristoyltransferase, NMT) bound to myristoyl-CoA and inhibitor 10b | Descriptor: | CHLORIDE ION, GLYCEROL, Glycylpeptide N-tetradecanoyltransferase, ... | Authors: | Fenwick, M.K, Staker, B.L, Phan, I.Q, Early, J, Myler, P.J, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | Deposit date: | 2024-01-08 | Release date: | 2024-07-17 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Exploring Subsite Selectivity within Plasmodium vivax N -Myristoyltransferase Using Pyrazole-Derived Inhibitors. J.Med.Chem., 67, 2024
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9BUL
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9EY4
| The FK1 domain of FKBP51 in complex with (3S,11S)-12-((3,5-dichlorophenyl)sulfonyl)-5-oxo-11-vinyldecahydro-1H-6,10-epiminopyrrolo[1,2-a]azonine-3-carboxamide | Descriptor: | (1~{S},4~{S},7~{S},8~{S},9~{R})-13-[3,5-bis(chloranyl)phenyl]sulfonyl-8-ethenyl-2-oxidanylidene-3,13-diazatricyclo[7.3.1.0^{3,7}]tridecane-4-carboxamide, Peptidyl-prolyl cis-trans isomerase FKBP5 | Authors: | Meyners, C, Krajczy, P, Hausch, F. | Deposit date: | 2024-04-09 | Release date: | 2024-06-12 | Last modified: | 2024-08-21 | Method: | X-RAY DIFFRACTION (1.16 Å) | Cite: | Structure-Based Design of Ultrapotent Tricyclic Ligands for FK506-Binding Proteins. Chemistry, 30, 2024
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9ASW
| Crystal structure of SARS-CoV-2 3CL protease in complex with a m-fluorobenzyl 2-pyrrolidone inhibitor | Descriptor: | (1R,2S)-2-({N-[({(2S)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl}methoxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-2-({N-[({(2S)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl}methoxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5, ... | Authors: | Lovell, S, Cooper, A, Battaile, K.P, Dampalla, C.S, Groutas, W.C. | Deposit date: | 2024-02-26 | Release date: | 2024-07-10 | Last modified: | 2024-08-07 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structure-Guided Design of Potent Coronavirus Inhibitors with a 2-Pyrrolidone Scaffold: Biochemical, Crystallographic, and Virological Studies. J.Med.Chem., 67, 2024
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8VSG
| SARS-CoV-2 main protease with covalent inhibitor | Descriptor: | (1R,2S,5S)-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-(1-phenylcyclopropane-1-carbonyl)-3-azabicyclo[3.1.0]hexane-2-carboxamide, 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | Authors: | Bell, J.A, Bandera, A.M. | Deposit date: | 2024-01-24 | Release date: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.071 Å) | Cite: | Exploiting high-energy hydration sites for the discovery of potent peptide aldehyde inhibitors of the SARS-CoV-2 main protease with cellular antiviral activity. Bioorg.Med.Chem., 103, 2024
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9BKY
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8WZD
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9FZK
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8YJ8
| Characerization of a novel format scFvXVHH single-chain Biparatopic antibody against a metal binding protein, MtsA | Descriptor: | Iron ABC transporter substrate-binding lipoprotein MtsA, VHH43, ZINC ION | Authors: | Ito, S, Nagatoishi, S, Nakakido, M, Tsumoto, K. | Deposit date: | 2024-03-01 | Release date: | 2024-06-19 | Last modified: | 2024-06-26 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Characterization of a novel format scFv×VHH single-chain biparatopic antibody against metal binding protein MtsA. Protein Sci., 33, 2024
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8ZLV
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8XE3
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9ASV
| Crystal structure of SARS-CoV-2 3CL protease in complex with a benzyl 2-pyrrolidone inhibitor | Descriptor: | (1R,2S)-2-{[N-({[(2S)-1-benzyl-5-oxopyrrolidin-2-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-2-{[N-({[(2S)-1-benzyl-5-oxopyrrolidin-2-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5, ... | Authors: | Lovell, S, Cooper, A, Battaile, K.P, Dampalla, C.S, Groutas, W.C. | Deposit date: | 2024-02-26 | Release date: | 2024-07-10 | Last modified: | 2024-08-07 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure-Guided Design of Potent Coronavirus Inhibitors with a 2-Pyrrolidone Scaffold: Biochemical, Crystallographic, and Virological Studies. J.Med.Chem., 67, 2024
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8X1C
| Structure of nucleosome-bound SRCAP-C in the ADP-bound state | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Actin, ... | Authors: | Yu, J, Wang, Q, Yu, Z, Li, W, Wang, L, Xu, Y. | Deposit date: | 2023-11-06 | Release date: | 2024-03-06 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structural insights into histone exchange by human SRCAP complex. Cell Discov, 10, 2024
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8X2Q
| The Crystal Structure of APC from Biortus. | Descriptor: | 1,2-ETHANEDIOL, Adenomatous polyposis coli protein | Authors: | Wang, F, Cheng, W, Lv, Z, Ju, C, Bao, C. | Deposit date: | 2023-11-10 | Release date: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The Crystal Structure of APC from Biortus. To Be Published
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