6H9Y
 
 | | Unraveling the role of the secretor antigen in human rotavirus attachment to histo-blood group antigens | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Outer capsid protein VP4, beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Ciges-Tomas, J.R, Gozalbo-Rovira, R, Vila-Vicent, S, Buesa, J, Santiso-Bellon, C, Monedero, V, Yebra, M.J, Rodriguez-Diaz, J, Marina, A. | | Deposit date: | 2018-08-06 | | Release date: | 2019-06-12 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.31 Å) | | Cite: | Unraveling the role of the secretor antigen in human rotavirus attachment to histo-blood group antigens.
Plos Pathog., 15, 2019
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8RYS
 | | Human IL-1beta, unliganded | | Descriptor: | Interleukin-1 beta, SULFATE ION | | Authors: | Rondeau, J.-M, Lehmann, S. | | Deposit date: | 2024-02-09 | | Release date: | 2024-03-06 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (1.16 Å) | | Cite: | Ligandability Assessment of IL-1 beta by Integrated Hit Identification Approaches.
J.Med.Chem., 67, 2024
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6BG2
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7L62
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7A17
 | | Crystal structure of the 5-phosphatase domain of Synaptojanin1 bound to its substrate diC8-PI(3,4,5)P3 in complex with a nanobody | | Descriptor: | (2R)-3-{[(R)-{[(1S,2S,3R,4S,5S,6S)-2,6-dihydroxy-3,4,5-tris(phosphonooxy)cyclohexyl]oxy}(hydroxy)phosphoryl]oxy}propane -1,2-diyl dioctanoate, GLYCEROL, Isoform 2 of Synaptojanin-1, ... | | Authors: | Paesmans, J, Galicia, C, Martin, E, Versees, W. | | Deposit date: | 2020-08-12 | | Release date: | 2020-12-30 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.73 Å) | | Cite: | A structure of substrate-bound Synaptojanin1 provides new insights in its mechanism and the effect of disease mutations.
Elife, 9, 2020
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6BFY
 | | Crystal structure of enolase from Escherichia coli with bound 2-phosphoglycerate substrate | | Descriptor: | 2-PHOSPHOGLYCERIC ACID, Enolase, GLYCEROL, ... | | Authors: | Erlandsen, H, Wright, D, Krucinska, J. | | Deposit date: | 2017-10-27 | | Release date: | 2018-10-31 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Structural and Functional Studies of Bacterial Enolase, a Potential Target against Gram-Negative Pathogens.
Biochemistry, 58, 2019
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7Z3Y
 | | Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH013545 | | Descriptor: | 2-[4-(3,5-dimethylpyrazol-1-yl)-2,6-bis(fluoranyl)phenyl]-~{N}-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)ethanamide, GLYCEROL, N-glycosylase/DNA lyase, ... | | Authors: | Scaletti, E.R, Stenmark, P. | | Deposit date: | 2022-03-02 | | Release date: | 2023-03-22 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH013545
To Be Published
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6HAJ
 | | Crystal structure of PAF - p-sulfonatocalix[8]arene complex | | Descriptor: | 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, Pc24g00380 protein, sulfonato-calix[8]arene | | Authors: | Alex, J.M, Rennie, M, Engilberge, S, Batta, G, Crowley, P.B. | | Deposit date: | 2018-08-07 | | Release date: | 2019-02-13 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Calixarene-mediated assembly of a small antifungal protein.
Iucrj, 6, 2019
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7A3M
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8R5U
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7Z5B
 | | Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH013546 | | Descriptor: | 2-[4-(2,4-dimethyl-1~{H}-imidazol-5-yl)phenyl]-~{N}-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)ethanamide, N-glycosylase/DNA lyase, NICKEL (II) ION | | Authors: | Scaletti, E, Stenmark, P. | | Deposit date: | 2022-03-08 | | Release date: | 2023-03-22 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH013546
To Be Published
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6HAR
 | | Crystal structure of Mesotrypsin in complex with APPI-M17C/I18F/F34C | | Descriptor: | 1,2-ETHANEDIOL, Amyloid-beta A4 protein, CALCIUM ION, ... | | Authors: | Shahar, A, Cohen, I, Radisky, E, Papo, N. | | Deposit date: | 2018-08-08 | | Release date: | 2019-02-06 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.497 Å) | | Cite: | Disulfide engineering of human Kunitz-type serine protease inhibitors enhances proteolytic stability and target affinity toward mesotrypsin.
J.Biol.Chem., 294, 2019
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7PX0
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6BCI
 | | Wild-type I-LtrI bound to non-cognate C4 substrate (pre-cleavage complex) | | Descriptor: | CALCIUM ION, DNA (27-MER), Ribosomal protein 3/homing endonuclease-like fusion protein | | Authors: | Brown, C, Zhang, K, McMurrough, T.A, Gloor, G.B, Edgell, D.R, Junop, M. | | Deposit date: | 2017-10-20 | | Release date: | 2018-10-24 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Active site residue identity regulates cleavage preference of LAGLIDADG homing endonucleases.
Nucleic Acids Res., 46, 2018
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7Z5K
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8RMW
 | | Alpha-Methylacyl-CoA racemase from Mycobacterium tuberculosis. | | Descriptor: | 1,2-ETHANEDIOL, Alpha-methylacyl-CoA racemase, DI(HYDROXYETHYL)ETHER | | Authors: | Mojanaga, O.O, Acharya, K.R, Lloyd, M.D. | | Deposit date: | 2024-01-09 | | Release date: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | alpha-Methylacyl-CoA Racemase from Mycobacterium tuberculosis -Detailed Kinetic and Structural Characterization of the Active Site.
Biomolecules, 14, 2024
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7Z5N
 | | Crystal structure of DYRK1A in complex with CX-4945 | | Descriptor: | 1,2-ETHANEDIOL, 5-[(3-chlorophenyl)amino]benzo[c][2,6]naphthyridine-8-carboxylic acid, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Pustelny, K, Grygier, P, Golik, P, Dubin, G, Czarna, A. | | Deposit date: | 2022-03-09 | | Release date: | 2023-03-22 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.77 Å) | | Cite: | Crystal structure DYRK1A in complex with CX-4945
To Be Published
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6ZYK
 | | Non-heme monooxygenase, ThoJ-Ni complex | | Descriptor: | L(+)-TARTARIC ACID, Monooxygenase, NICKEL (II) ION | | Authors: | Koehnke, J, Sikandar, A. | | Deposit date: | 2020-08-02 | | Release date: | 2020-10-14 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Non-Heme Monooxygenase ThoJ Catalyzes Thioholgamide beta-Hydroxylation.
Acs Chem.Biol., 15, 2020
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6HB5
 | | Crystal structure of E. coli tyrRS in complex with 5'-O-(N-L-tyrosyl)sulfamoyl-cytidine | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Tyrosine--tRNA ligase, ... | | Authors: | De Graef, S, Pang, L, Strelkov, S.V, Weeks, S.D. | | Deposit date: | 2018-08-09 | | Release date: | 2019-04-17 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Comparative analysis of pyrimidine substituted aminoacyl-sulfamoyl nucleosides as potential inhibitors targeting class I aminoacyl-tRNA synthetases.
Eur.J.Med.Chem., 173, 2019
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8R3B
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7Q2I
 | | Crystal structure of the C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with Tetrahydrofurfurylamine | | Descriptor: | 1-[(2R)-oxolan-2-yl]methanamine, Cholinephosphate cytidylyltransferase, Guanidinium | | Authors: | Duclovel, C, Gelin, M, Krimm, I, Cerdan, R, Guichou, J.-F. | | Deposit date: | 2021-10-25 | | Release date: | 2022-11-09 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design of PfCCT inhibitors
To Be Published
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7LD6
 | | G150A Pseudomonas fluorescens isocyanide hydratase (G150A-1) at 274K, Phenix-refined | | Descriptor: | Isonitrile hydratase InhA | | Authors: | Su, Z, Dasgupta, M, Yoon, C.H, Wilson, M.A. | | Deposit date: | 2021-01-12 | | Release date: | 2021-02-03 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Reproducibility of protein x-ray diffuse scattering and potential utility for modeling atomic displacement parameters.
Struct Dyn., 8, 2021
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7Z3R
 | | Crystal structure of the mouse leptin:LepR-IgCRH2 complex to 2.95 A resolution. | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Leptin, Leptin receptor | | Authors: | Verstraete, K, Verschueren, K, Savvides, S.N, Tsirigotaki, A. | | Deposit date: | 2022-03-02 | | Release date: | 2023-03-22 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.951 Å) | | Cite: | Mechanism of receptor assembly via the pleiotropic adipokine Leptin.
Nat.Struct.Mol.Biol., 30, 2023
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7Q2M
 | | Crystal structure of the C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with but-3-yn-2-amine hydrochloride | | Descriptor: | (2S)-but-3-yn-2-amine, Cholinephosphate cytidylyltransferase | | Authors: | Duclovel, C, Gelin, M, Krimm, I, Cerdan, R, Guichou, J.F. | | Deposit date: | 2021-10-25 | | Release date: | 2022-11-23 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design of PfCCT inhibitors.
To Be Published
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7Z5R
 | | Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH012035 | | Descriptor: | (7~{R})-~{N}-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide, N-glycosylase/DNA lyase, NICKEL (II) ION | | Authors: | Davies, J.R, Scaletti, E, Stenmark, P. | | Deposit date: | 2022-03-09 | | Release date: | 2023-03-22 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH012035
To Be Published
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