PDB: 30805 resultsInfo pagesStatus searchChemie searchBIRD

---

8DRZ	Product structure of SARS-CoV-2 Mpro C145A mutant in complex with nsp13-nsp14 (C13) cut site sequence Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3C-like proteinase nsp5, DI(HYDROXYETHYL)ETHER, ... Authors: Lee, J, Kenward, C, Worrall, L.J, Vuckovic, M, Paetzel, M, Strynadka, N.C.J. Deposit date: 2022-07-21 Release date: 2022-09-28 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.98 Å) Cite: X-ray crystallographic characterization of the SARS-CoV-2 main protease polyprotein cleavage sites essential for viral processing and maturation. Nat Commun, 13, 2022
7U33	Crystal structure of human GSK3B in complex with ARN9133 Descriptor: 3-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]-N,N-dimethylazetidine-1-sulfonamide, CHLORIDE ION, Glycogen synthase kinase-3 beta Authors: Tripathi, S.K, Balboni, B, Giabbai, B, Storici, P, Girotto, S, Cavalli, A. Deposit date: 2022-02-25 Release date: 2022-04-27 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (2.6 Å) Cite: Identification of Novel GSK-3 beta Hits Using Competitive Biophysical Assays. Int J Mol Sci, 23, 2022
6B7F	Crystal structure of E.coli Phosphopantetheine Adenylyltransferase (PPAT/CoaD) in complex with (R)-3,3-dimethyl-4-(5-vinyl-1H-imidazol-1-yl)isochroman-1-one Descriptor: (4R)-4-(5-ethenyl-1H-imidazol-1-yl)-3,3-dimethyl-3,4-dihydro-1H-2-benzopyran-1-one, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DIMETHYL SULFOXIDE, ... Authors: Proudfoot, A.W, Bussiere, D, Lingel, A. Deposit date: 2017-10-03 Release date: 2017-12-27 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (2.562 Å) Cite: High-Confidence Protein-Ligand Complex Modeling by NMR-Guided Docking Enables Early Hit Optimization. J. Am. Chem. Soc., 139, 2017
7WWR	Structure of a triple-helix region of human collagen type III from Trautec Descriptor: Collagen alpha-1(III) chain Authors: Qian, S, Li, H, Fan, X, Tian, X, Li, J, Wang, L, Chu, Y. Deposit date: 2022-02-14 Release date: 2022-04-06 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (1.3 Å) Cite: Structure of a triple-helix region of human collagen type III from Trautec To Be Published
4Z3N	Crystal structure of the MATE transporter ClbM Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CACODYLATE ION, Putative drug/sodium antiporter Authors: Mousa, J.J, Bruner, S.D. Deposit date: 2015-03-31 Release date: 2016-01-13 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (2.7 Å) Cite: MATE transport of the E. coli-derived genotoxin colibactin. Nat Microbiol, 1, 2016
7N7H	X-ray crystal structure of Viperin-like enzyme from Nematostella vectensis Descriptor: CYTIDINE-5'-TRIPHOSPHATE, IRON/SULFUR CLUSTER, S-ADENOSYLMETHIONINE, ... Authors: Grove, T.L, Almo, S.C, Bonanno, J.B, Lachowicz, J.C, Gizzi, A.G. Deposit date: 2021-06-10 Release date: 2021-07-07 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.42 Å) Cite: Structural Insight into the Substrate Scope of Viperin and Viperin-like Enzymes from Three Domains of Life. Biochemistry, 60, 2021
7WWN	Structure of hypothetical protein TTHA1873 from Thermus thermophilus with Potassium mercuric iodide Descriptor: CALCIUM ION, hypothetical protein TTHA1873, tetraiodomercurate(2-) Authors: Yuvaraj, I, Sekar, K. Deposit date: 2022-02-14 Release date: 2022-04-06 Last modified: 2024-05-29 Method: X-RAY DIFFRACTION (2.05 Å) Cite: Structure of the hypothetical protein TTHA1873 from Thermus thermophilus. Acta Crystallogr.,Sect.F, 78, 2022
7U2Z	Crystal structure of human GSK3B in complex with G12 Descriptor: (3R)-1-[3-(2-fluorophenyl)propanoyl]-N-(pyridin-2-yl)pyrrolidine-3-carboxamide, CHLORIDE ION, Glycogen synthase kinase-3 beta Authors: Tripathi, S.K, Balboni, B, Giabbai, B, Storici, P, Girotto, S, Cavalli, A. Deposit date: 2022-02-25 Release date: 2022-04-27 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (2.21 Å) Cite: Identification of Novel GSK-3 beta Hits Using Competitive Biophysical Assays. Int J Mol Sci, 23, 2022
4Z4B	2-Pyridyl Hoechst - a New Generation DNA-Binding Radioprotector Descriptor: 5-(4-methylpiperazin-1-yl)-2'-(pyridin-2-yl)-1H,1'H-2,5'-bibenzimidazole, DNA (5'-D(*CP*GP*CP*AP*AP*AP*TP*TP*TP*GP*CP*G)-3'), MAGNESIUM ION Authors: Wee, J.-Y, Dobson, R.C.J, White, J.M. Deposit date: 2015-04-01 Release date: 2016-05-04 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.9652 Å) Cite: 2-Pyridyl Hoechst - a New Generation DNA-Binding Radioprotector To Be Published
8PRI	The structure of nvBagel9 Descriptor: Cell surface protein Authors: Vandebroek, L, Voet, A.R.D, Lee, X.Y. Deposit date: 2023-07-12 Release date: 2024-07-24 Method: X-RAY DIFFRACTION (2.1 Å) Cite: The structure of v13Bagel2 To Be Published
8PRL	The structure of v22Bagel8 Descriptor: Cell surface protein Authors: Vandebroek, L, Voet, A.R.D, Lee, X.Y. Deposit date: 2023-07-12 Release date: 2024-07-24 Method: X-RAY DIFFRACTION (2.65 Å) Cite: The structure of v13Bagel8 To Be Published
7U31	Crystal structure of human GSK3B in complex with G5 Descriptor: 5-(4-fluorophenyl)-4-[1-(methanesulfonyl)azetidin-3-yl]pyrimidin-2-amine, CHLORIDE ION, Glycogen synthase kinase-3 beta Authors: Tripathi, S.K, Balboni, B, Giabbai, B, Storici, P, Girotto, S, Cavalli, A. Deposit date: 2022-02-25 Release date: 2022-04-27 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (2.38 Å) Cite: Identification of Novel GSK-3 beta Hits Using Competitive Biophysical Assays. Int J Mol Sci, 23, 2022
7XAN	Structure of a triple-helix region of human collagen type III from Trautec Descriptor: Collagen alpha-1(III) chain Authors: Qian, S, Li, H, Fan, X, Tian, X, Li, J, Wang, L, Chu, Y. Deposit date: 2022-03-18 Release date: 2022-04-06 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Structure of a triple-helix region of human collagen type III from Trautec To Be Published
8PTV	IPNS variant N252Q in complex with Fe and ACV under anaerobic conditions Descriptor: FE (III) ION, Isopenicillin N synthase, L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE, ... Authors: Rabe, P, Schofield, C.J. Deposit date: 2023-07-15 Release date: 2024-07-24 Method: X-RAY DIFFRACTION (1.6 Å) Cite: IPNS variant N252Q in complex with Fe and ACV under anaerobic conditions To Be Published
6BA0	Pyrimidine-specific Ribonucleoside Hydrolase from Gardnerella vaginalis Descriptor: CALCIUM ION, CHLORIDE ION, Cytidine/uridine-specific hydrolase Authors: Renner, N, Jacques, D.A. Deposit date: 2017-10-11 Release date: 2018-10-17 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (2.03 Å) Cite: Pyrimidine-specific Ribonucleoside Hydrolase RihB from Gardnerella vaginalis To Be Published
6VMF	Crystal structure of the Y766F mutant of GoxA soaked with glycine Descriptor: Glycine oxidase, MAGNESIUM ION, SULFATE ION Authors: Yukl, E.T. Deposit date: 2020-01-27 Release date: 2020-04-08 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (2.24 Å) Cite: Roles of active-site residues in catalysis, substrate binding, cooperativity, and the reaction mechanism of the quinoprotein glycine oxidase. J.Biol.Chem., 295, 2020
8DS2	Structure of SARS-CoV-2 Mpro in complex with the nsp13-nsp14 (C13) cut site sequence (form 2) Descriptor: 3C-like proteinase nsp5, GLYCEROL, SODIUM ION Authors: Lee, J, Kenward, C, Worrall, L.J, Vuckovic, M, Paetzel, M, Strynadka, N.C.J. Deposit date: 2022-07-21 Release date: 2022-09-28 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (1.6 Å) Cite: X-ray crystallographic characterization of the SARS-CoV-2 main protease polyprotein cleavage sites essential for viral processing and maturation. Nat Commun, 13, 2022
6PG8	WDR5delta23 bound to (2-(3-phenylpropyl)-1H-imidazol-4-yl)methanol Descriptor: CHLORIDE ION, SULFATE ION, WD repeat-containing protein 5, ... Authors: Dennis, M.L, Peat, T.S. Deposit date: 2019-06-24 Release date: 2019-12-11 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.67 Å) Cite: Fragment screening for a protein-protein interaction inhibitor to WDR5. Struct Dyn., 6, 2019
4ZOK	Methylsulfonyl-containing inhibitor bound in the substrate capture site of Mycobacterium tuberculosis anthranilate phosphoribosyltransferase (AnPRT; trpD) Descriptor: 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, 4-methyl-2-{[2-methyl-6-(methylsulfonyl)phenyl]amino}benzoic acid, Anthranilate phosphoribosyltransferase, ... Authors: Evans, G.L, Baker, E.N, Lott, J.S, TB Structural Genomics Consortium (TBSGC) Deposit date: 2015-05-06 Release date: 2016-05-11 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (2.34 Å) Cite: Inhibitor bound in the active site of Mycobacterium tuberculosis anthranilate phosphoribosyltransferase (AnPRT; trpD). To be Published
8PGG	Crystal structure of the metallo-beta-lactamase VIM1 with 2954 Descriptor: 3-[3-fluoranyl-4-(methylsulfonylmethyl)phenyl]-7-[(1~{S})-1-(2-oxidanylidene-1~{H}-pyridin-3-yl)ethyl]-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION Authors: Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. Deposit date: 2023-06-18 Release date: 2024-07-10 Method: X-RAY DIFFRACTION (1.2 Å) Cite: Crystal structure of the metallo-beta-lactamase VIM1 with 2954 To Be Published
8PTS	human GUK1 in complex with compound AT8001 Descriptor: GLYCEROL, Guanylate kinase, [(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 dihydrogen phosphate Authors: Zimberger, C, Canard, B, Ferron, F. Deposit date: 2023-07-14 Release date: 2024-07-24 Method: X-RAY DIFFRACTION (1.76 Å) Cite: Structural and functional basis for metabolic activation of the antiviral drug Bemnifosbuvir To Be Published
8PG2	Crystal structure of the metallo-beta-lactamase VIM1 with 2728 Descriptor: 7-[(1~{S})-1-[5-(3-azanylpropyl)-2-oxidanylidene-1,3-oxazolidin-3-yl]ethyl]-3-[3-fluoranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, DIMETHYL SULFOXIDE, ... Authors: Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. Deposit date: 2023-06-18 Release date: 2024-07-10 Method: X-RAY DIFFRACTION (1.25 Å) Cite: Crystal structure of the metallo-beta-lactamase VIM1 with 2728 To Be Published
8DS1	Structure of SARS-CoV-2 Mpro in complex with nsp12-nsp13 (C12) cut site sequence Descriptor: 3C-like proteinase nsp5, DI(HYDROXYETHYL)ETHER, SODIUM ION Authors: Lee, J, Kenward, C, Worrall, L.J, Vuckovic, M, Paetzel, M, Strynadka, N.C.J. Deposit date: 2022-07-21 Release date: 2022-09-28 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (2.19 Å) Cite: X-ray crystallographic characterization of the SARS-CoV-2 main protease polyprotein cleavage sites essential for viral processing and maturation. Nat Commun, 13, 2022
8PGT	Crystal structure of the metallo-beta-lactamase VIM1 with 3393 Descriptor: 7-[(1~{S})-1-[2-(aminomethyl)-6-oxidanylidene-5-oxa-7-azaspiro[3.4]octan-7-yl]ethyl]-3-(5-oxidanylpyridin-3-yl)-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION Authors: Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. Deposit date: 2023-06-18 Release date: 2024-07-10 Method: X-RAY DIFFRACTION (1.21 Å) Cite: Crystal structure of the metallo-beta-lactamase VIM1 with 3393 To Be Published
7TIV	Crystal structure of SARS-CoV-2 3CL in complex with inhibitor EB48 Descriptor: (1S,2S)-2-[(N-{[(3-chlorophenyl)methoxy]carbonyl}-3-cyclohexyl-L-alanyl)amino]-1-hydroxy-3-[(3R)-2-oxo-2,3-dihydro-1H-pyrrol-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5, MAGNESIUM ION Authors: Forouhar, F, Liu, H, Iketani, S, Zack, A, Khanizeman, N, Bednarova, E, Fowler, B, Hong, S.J, Mohri, H, Nair, M.S, Huang, Y, Tay, N.E.S, Lee, S, Karan, C, Resnick, S.J, Quinn, C, Li, W, Shion, H, Jurtschenko, C, Lauber, M.A, McDonald, T, Stokes, M.E, Hurst, B, Rovis, T, Chavez, A, Ho, D.D, Stockwell, B.R. Deposit date: 2022-01-14 Release date: 2022-05-04 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (2.08 Å) Cite: Development of optimized drug-like small molecule inhibitors of the SARS-CoV-2 3CL protease for treatment of COVID-19. Nat Commun, 13, 2022

<601602603604605606607608609610611612613614615616>