8OKM
 
 | | Crystal structure of F2F-2020197-00X bound to the main protease (3CLpro/Mpro) of SARS-CoV-2. | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 3C-like proteinase nsp5, ... | | Authors: | Costanzi, E, Demitri, N, Storici, P. | | Deposit date: | 2023-03-28 | | Release date: | 2023-05-03 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Broad-spectrum coronavirus 3C-like protease peptidomimetic inhibitors effectively block SARS-CoV-2 replication in cells: Design, synthesis, biological evaluation, and X-ray structure determination.
Eur.J.Med.Chem., 253, 2023
|
|
8OKL
 | | Crystal structure of F2F-2020185-01X bound to the main protease (3CLpro/Mpro) of SARS-CoV-2. | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 3C-like proteinase nsp5, ... | | Authors: | Costanzi, E, Demitri, N, Storici, P. | | Deposit date: | 2023-03-28 | | Release date: | 2023-05-03 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Broad-spectrum coronavirus 3C-like protease peptidomimetic inhibitors effectively block SARS-CoV-2 replication in cells: Design, synthesis, biological evaluation, and X-ray structure determination.
Eur.J.Med.Chem., 253, 2023
|
|
8OKK
 | | Crystal structure of F2F-2020184-00X bound to the main protease (3CLpro/Mpro) of SARS-CoV-2. | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 3C-like proteinase nsp5, ... | | Authors: | Costanzi, E, Demitri, N, Storici, P. | | Deposit date: | 2023-03-28 | | Release date: | 2023-05-03 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Broad-spectrum coronavirus 3C-like protease peptidomimetic inhibitors effectively block SARS-CoV-2 replication in cells: Design, synthesis, biological evaluation, and X-ray structure determination.
Eur.J.Med.Chem., 253, 2023
|
|
8OKH
 | |
8OK8
 | | Variant Surface Glycoprotein VSG615 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Variant surface glycoprotein 615, ... | | Authors: | Zeelen, J.P, Stebbins, C.E, Chandra, M. | | Deposit date: | 2023-03-27 | | Release date: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (3.22 Å) | | Cite: | A structural classification of the variant surface glycoproteins of the African trypanosomey.
Plos Negl Trop Dis, 17, 2023
|
|
8OK7
 | | Variant Surface Glycoprotein VSG558 NTD | | Descriptor: | Variant surface glycoprotein 558, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Zeelen, J.P, Stebbins, C.E, van Straaten, M, Zhong, J. | | Deposit date: | 2023-03-27 | | Release date: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | A structural classification of the variant surface glycoproteins of the African trypanosomey.
Plos Negl Trop Dis, 17, 2023
|
|
8OK6
 | | Variant Surface Glycoprotein VSG11 two monomers | | Descriptor: | SULFATE ION, Variant surface glycoprotein, alpha-D-glucopyranose, ... | | Authors: | Gkeka, A, Vlachou, E.P, Zeelen, J.P, Stebbins, C.E. | | Deposit date: | 2023-03-27 | | Release date: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | A structural classification of the variant surface glycoproteins of the African trypanosomey.
Plos Negl Trop Dis, 17, 2023
|
|
8OK5
 | | Variant Surface Glycoprotein VSG11 monomer with iodine | | Descriptor: | IODIDE ION, Variant surface glycoprotein, alpha-D-glucopyranose, ... | | Authors: | Zeelen, J.P, Stebbins, C.E, Aresta-Branco, F. | | Deposit date: | 2023-03-27 | | Release date: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.27 Å) | | Cite: | A structural classification of the variant surface glycoproteins of the African trypanosomey.
Plos Negl Trop Dis, 17, 2023
|
|
8OK4
 | | Variant Surface Glycoprotein VSG11wt-Oil | | Descriptor: | Variant surface glycoprotein, alpha-D-glucopyranose, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Zeelen, J.P, Stebbins, C.E, Aresta-Branco, F, Foti, K. | | Deposit date: | 2023-03-27 | | Release date: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.23 Å) | | Cite: | A structural classification of the variant surface glycoproteins of the African trypanosomey.
Plos Negl Trop Dis, 17, 2023
|
|
8OK0
 | | Crystal structure of human NQO1 in complex with the inhibitor PMSF | | Descriptor: | ACETYL GROUP, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | | Authors: | Martin-Garcia, J.M, Grieco, A, Ruiz-Fresneda, M.A. | | Deposit date: | 2023-03-26 | | Release date: | 2023-11-01 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural dynamics at the active site of the cancer-associated flavoenzyme NQO1 probed by chemical modification with PMSF.
Febs Lett., 597, 2023
|
|
8OJT
 | | Crystal structure of the human IgD Fab - structure Fab2 | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, AZIDE ION, ... | | Authors: | Davies, A.M, Beavil, R.L, McDonnell, J.M. | | Deposit date: | 2023-03-24 | | Release date: | 2023-06-14 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Crystal structures of the human IgD Fab reveal insights into C H 1 domain diversity.
Mol.Immunol., 159, 2023
|
|
8OJP
 | | Human galectin 1 in complex with inhibitor | | Descriptor: | (2~{R},3~{R},4~{S},5~{R},6~{R})-2-[3,5-bis(chloranyl)-4-fluoranyl-phenyl]sulfanyl-6-(hydroxymethyl)-4-[4-(1,3-thiazol-2-yl)-1,2,3-triazol-1-yl]oxane-3,5-diol, GLYCEROL, Galectin-1 | | Authors: | Hakansson, M, Diehl, C, Nilsson, U.J, Zetterberg, F.R, Peterson, K. | | Deposit date: | 2023-03-24 | | Release date: | 2024-06-12 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | Discovery of Selective and Orally Available Galectin-1 Inhibitors.
J.Med.Chem., 66, 2023
|
|
8OJH
 | | Crystal structure of human CRBN-DDB1 in complex with compound 4 | | Descriptor: | 1,2-ETHANEDIOL, 4-azanyl-2-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-7-methoxy-isoindole-1,3-dione, DNA damage-binding protein 1, ... | | Authors: | Cabry, M.P, Le Bihan, Y.-V, van Montfort, R.L.M. | | Deposit date: | 2023-03-24 | | Release date: | 2023-07-19 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.72 Å) | | Cite: | A Degron Blocking Strategy Towards Improved CRL4 CRBN Recruiting PROTAC Selectivity.
Chembiochem, 24, 2023
|
|
8OIZ
 | | Crystal structure of human CRBN-DDB1 in complex with Pomalidomide | | Descriptor: | 1,2-ETHANEDIOL, DNA damage-binding protein 1, Protein cereblon, ... | | Authors: | Le Bihan, Y.-V, Cabry, M.P, van Montfort, R.L.M. | | Deposit date: | 2023-03-23 | | Release date: | 2023-07-19 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | A Degron Blocking Strategy Towards Improved CRL4 CRBN Recruiting PROTAC Selectivity.
Chembiochem, 24, 2023
|
|
8OIY
 | |
8OIU
 | | Cryo-EM reconstruction of the native 24-mer E2o core of the 2-oxoglutarate dehydrogenase complex of C. thermophilum at 3.35 A resolution | | Descriptor: | Dihydrolipoyllysine-residue succinyltransferase | | Authors: | Skalidis, I, Tueting, C, Kyrilis, F.L, Hamdi, F, Kastritis, P.L. | | Deposit date: | 2023-03-23 | | Release date: | 2023-05-31 | | Method: | ELECTRON MICROSCOPY (3.35 Å) | | Cite: | Structural analysis of an endogenous 4-megadalton succinyl-CoA-generating metabolon.
Commun Biol, 6, 2023
|
|
8OII
 | |
8OIG
 | | Crystal Structure of Staphopain C from Staphylococcus aureus | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ... | | Authors: | McEwen, A.G, Magoch, M, Napolitano, V, Dubin, G, Wladyka, B. | | Deposit date: | 2023-03-22 | | Release date: | 2023-06-21 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Crystal Structure of Staphopain C from Staphylococcus aureus.
Molecules, 28, 2023
|
|
8OIB
 | |
8OIA
 | | Trichomonas vaginalis riboside hydrolase in complex with D-ribose | | Descriptor: | CALCIUM ION, GLYCEROL, Inosine-uridine preferring nucleoside hydrolase family protein, ... | | Authors: | Patrone, M, Stockman, B.J, Degano, M. | | Deposit date: | 2023-03-22 | | Release date: | 2023-08-02 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | A riboside hydrolase that salvages both nucleobases and nicotinamide in the auxotrophic parasite Trichomonas vaginalis.
J.Biol.Chem., 299, 2023
|
|
8OI4
 | | Metagenomic Beta-galactosidase from Glycoside Hydrolase family GH154 | | Descriptor: | Beta-galactosidase, CHLORIDE ION, GLYCEROL | | Authors: | Pijning, T, Hameleers, L, Jurak, E, Guskov, A. | | Deposit date: | 2023-03-22 | | Release date: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Novel beta-galactosidase activity and first crystal structure of Glycoside Hydrolase family 154.
N Biotechnol, 80, 2023
|
|
8OI3
 | | Structure of NopD with AtSUMO2 | | Descriptor: | Small ubiquitin-related modifier 2, Type III effector, prop-2-en-1-amine | | Authors: | Reverter, D, Li, Y. | | Deposit date: | 2023-03-22 | | Release date: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structure of NopD with AtSUMO2
To Be Published
|
|
8OI2
 | | Crystal structure of Alb1 megabody in complex with human serum albumin | | Descriptor: | Alb1 Megabody, Albumin | | Authors: | De Felice, S, Zoia, G, Romanyuk, Z, Pardon, E, Steyaert, J, Angelini, A, Cendron, L. | | Deposit date: | 2023-03-22 | | Release date: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Crystal structure of human serum albumin in complex with megabody reveals unique human and murine cross-reactive binding site.
Protein Sci., 33, 2024
|
|
8OHX
 | | Crystal structure of Beta-glucuronidase from Escherichia coli in complex with siastatin B derived inhibitor | | Descriptor: | (3~{S},4~{S},5~{S},6~{R})-4,5,6-tris(oxidanyl)piperidine-3-carboxylic acid, Beta-D-glucuronidase | | Authors: | Armstrong, Z, Yurong, C, Wu, L, Overkleeft, H.S, Davies, G.J. | | Deposit date: | 2023-03-21 | | Release date: | 2024-01-10 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Molecular Basis for Inhibition of Heparanases and beta-Glucuronidases by Siastatin B.
J.Am.Chem.Soc., 146, 2024
|
|
8OHO
 | | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry H11 | | Descriptor: | 1-cyclopentyl-3-[[(2~{S})-oxolan-2-yl]methyl]urea, Cyclic di-AMP synthase CdaA, MAGNESIUM ION, ... | | Authors: | Garbers, T.B, Neumann, P, Wollenhaupt, J, Weiss, M.S, Ficner, R. | | Deposit date: | 2023-03-21 | | Release date: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.32 Å) | | Cite: | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry H11
To Be Published
|
|
