7U08
 
 | |
5EDE
 | | CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c13c(cc(s1)C(NCC2OCCC2)=O)c(nn3c4ccc(cc4)Cl)C, micromolar IC50=0.217 | | Descriptor: | 1-(4-chlorophenyl)-3-methyl-~{N}-[[(2~{R})-oxolan-2-yl]methyl]thieno[2,3-c]pyrazole-5-carboxamide, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Joseph, C, Rudolph, M.G. | | Deposit date: | 2015-10-21 | | Release date: | 2016-03-09 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | A Real-World Perspective on Molecular Design.
J.Med.Chem., 59, 2016
|
|
5XII
 | | Crystal Structure of Toxoplasma gondii Prolyl-tRNA Synthetase (TgPRS) in complex with inhibitor 6 | | Descriptor: | 1,2-ETHANEDIOL, 6-chloranyl-7-fluoranyl-3-[3-[(2R)-3-oxidanylidenepiperidin-2-yl]propyl]quinazolin-4-one, CHLORIDE ION, ... | | Authors: | Jain, V, Manickam, Y, Sharma, A. | | Deposit date: | 2017-04-26 | | Release date: | 2018-03-07 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.17 Å) | | Cite: | Targeting Prolyl-tRNA Synthetase to Accelerate Drug Discovery against Malaria, Leishmaniasis, Toxoplasmosis, Cryptosporidiosis, and Coccidiosis
Structure, 25, 2017
|
|
7MO8
 | | Cryo-EM structure of 1:1 c-MET I/HGF I complex after focused 3D refinement of holo-complex | | Descriptor: | 2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, Hepatocyte growth factor, Hepatocyte growth factor receptor | | Authors: | Uchikawa, E, Chen, Z.M, Xiao, G.Y, Zhang, X.W, Bai, X.C. | | Deposit date: | 2021-05-01 | | Release date: | 2021-06-09 | | Last modified: | 2024-10-16 | | Method: | ELECTRON MICROSCOPY (4.5 Å) | | Cite: | Structural basis of the activation of c-MET receptor.
Nat Commun, 12, 2021
|
|
6TOI
 | | Crystal structure of human BCL6 BTB domain in complex with compound 11f | | Descriptor: | 1,2-ETHANEDIOL, 2-chloranyl-4-[[1-methyl-3-[(3~{R})-3-oxidanylbutyl]-2-oxidanylidene-benzimidazol-5-yl]amino]pyridine-3-carbonitrile, ALA-TRP-VAL-ILE-PRO-ALA, ... | | Authors: | Collie, G.W, Rodrigues, M.J, Le Bihan, Y.-V, van Montfort, R.L.M. | | Deposit date: | 2019-12-11 | | Release date: | 2020-04-22 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | AchievingIn VivoTarget Depletion through the Discovery and Optimization of Benzimidazolone BCL6 Degraders.
J.Med.Chem., 63, 2020
|
|
6TOO
 | | Crystal structure of human BCL6 BTB domain in complex with compound 11a | | Descriptor: | 1,2-ETHANEDIOL, 2-chloranyl-4-[[1-methyl-3-[(2~{S})-2-oxidanylbutyl]-2-oxidanylidene-benzimidazol-5-yl]amino]pyridine-3-carbonitrile, ALA-TRP-VAL-ILE-PRO-ALA, ... | | Authors: | Collie, G.W, Rodrigues, M.J, Le Bihan, Y.-V, van Montfort, R.L.M. | | Deposit date: | 2019-12-11 | | Release date: | 2020-04-22 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | AchievingIn VivoTarget Depletion through the Discovery and Optimization of Benzimidazolone BCL6 Degraders.
J.Med.Chem., 63, 2020
|
|
7RTK
 | | Structure of the (NIAU)2 complex with N-terminal mutation of ISCU2 Y35D at 2.5 A resolution | | Descriptor: | 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 2,5,8,11,14,17-HEXAOXANONADECAN-19-OL, ... | | Authors: | Boniecki, M.T, Cygler, M. | | Deposit date: | 2021-08-13 | | Release date: | 2021-08-25 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The essential function of ISCU2 and its conserved N-terminus in Fe/S cluster biogenesis
To Be Published
|
|
9DSX
 | | Crystal structure of the complex of M. tuberculosis PheRS with cognate precursor tRNA and fragment DDD00107555 | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ACETATE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Chang, C, Michalska, K, Forte, B, Baragana, B, Gilbert, I.H, Wower, J, Joachimiak, A. | | Deposit date: | 2024-09-30 | | Release date: | 2025-06-04 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Different chemical scaffolds bind to L-phe site in Mycobacterium tuberculosis Phe-tRNA synthetase.
Eur.J.Med.Chem., 287, 2025
|
|
5GVZ
 | |
6TON
 | | Crystal structure of human BCL6 BTB domain in complex with compound 25b | | Descriptor: | 1,2-ETHANEDIOL, 5-[[5-chloranyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)pyrimidin-4-yl]amino]-1-methyl-3-(3-methyl-3-oxidanyl-butyl)benzimidazol-2-one, ALA-TRP-VAL-ILE-PRO-ALA, ... | | Authors: | Rodrigues, M.J, Le Bihan, Y.-V, van Montfort, R.L.M. | | Deposit date: | 2019-12-11 | | Release date: | 2020-04-22 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.36 Å) | | Cite: | AchievingIn VivoTarget Depletion through the Discovery and Optimization of Benzimidazolone BCL6 Degraders.
J.Med.Chem., 63, 2020
|
|
6TPQ
 | | RNase M5 bound to 50S ribosome with precursor 5S rRNA | | Descriptor: | 50S ribosomal protein L10, 50S ribosomal protein L13, 50S ribosomal protein L14, ... | | Authors: | Oerum, S, Dendooven, T, Gilet, L, Catala, M, Degut, C, Trinquier, A, Barraud, P, Luisi, B, Condon, C, Tisne, C. | | Deposit date: | 2019-12-13 | | Release date: | 2020-09-30 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (3.07 Å) | | Cite: | Structures of B. subtilis Maturation RNases Captured on 50S Ribosome with Pre-rRNAs.
Mol.Cell, 80, 2020
|
|
8OS6
 | | Structure of a GFRA1/GDNF LICAM complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-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, ... | | Authors: | Houghton, F.M, Adams, S.E, Briggs, D.C, McDonald, N.Q. | | Deposit date: | 2023-04-18 | | Release date: | 2023-11-29 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.66 Å) | | Cite: | Architecture and regulation of a GDNF-GFR alpha 1 synaptic adhesion assembly.
Nat Commun, 14, 2023
|
|
5X9X
 | |
5TRW
 | |
5TVP
 | |
7TX9
 | | Human Synaptotagmin-1 C2B Y312F Ca2+ bound | | Descriptor: | 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Dominguez, M.J, Karmakar, S, Fuson, K.L, Sutton, R.B. | | Deposit date: | 2022-02-08 | | Release date: | 2023-03-29 | | Last modified: | 2025-01-15 | | Method: | X-RAY DIFFRACTION (1.34 Å) | | Cite: | The AD3 locus of synaptotagmin-1 C2 domains modulates domain stability.
Biophys.J., 2024
|
|
8DT3
 | | Cryo-EM structure of spike binding to Fab of neutralizing antibody (locally refined) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain Fab of SW186, Light chain Fab of SW186, ... | | Authors: | Sun, P.C, Fang, Y, Bai, X.C, Chen, Z.J. | | Deposit date: | 2022-07-25 | | Release date: | 2022-08-03 | | Last modified: | 2024-11-06 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | An antibody that neutralizes SARS-CoV-1 and SARS-CoV-2 by binding to a conserved spike epitope outside the receptor binding motif.
Sci Immunol, 7, 2022
|
|
6TTH
 | | PKM2 in complex with L-threonine | | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, Pyruvate kinase PKM, THREONINE | | Authors: | Saur, M, Hartshorn, M.J, Dong, J, Reeks, J, Bunkoczi, G, Jhoti, H, Williams, P.A. | | Deposit date: | 2019-12-27 | | Release date: | 2020-01-15 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (2.6 Å) | | Cite: | Fragment-based drug discovery using cryo-EM.
Drug Discov Today, 25, 2020
|
|
7UEV
 | |
5N1T
 | | Crystal structure of complex between flavocytochrome c and copper chaperone CopC from T. paradoxus | | Descriptor: | COPPER (II) ION, CopC, Cytochrome C, ... | | Authors: | Osipov, E.M, Lilina, A.V, Tikhonova, T.V, Tsallagov, S.I, Popov, V.O. | | Deposit date: | 2017-02-06 | | Release date: | 2018-02-28 | | Last modified: | 2025-10-01 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure of the flavocytochrome c sulfide dehydrogenase associated with the copper-binding protein CopC from the haloalkaliphilic sulfur-oxidizing bacterium Thioalkalivibrio paradoxusARh 1.
Acta Crystallogr D Struct Biol, 74, 2018
|
|
7UE3
 | | PANK3 complex structure with compound PZ-3804 | | Descriptor: | 1,2-ETHANEDIOL, 6-[4-({4-[(2R)-1-hydroxypropan-2-yl]phenyl}acetyl)piperazin-1-yl]pyridazine-3-carbonitrile, MAGNESIUM ION, ... | | Authors: | White, S.W, Yun, M, Lee, R.E. | | Deposit date: | 2022-03-21 | | Release date: | 2023-03-29 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Development of Brain Penetrant Pyridazine Pantothenate Kinase Activators.
J.Med.Chem., 67, 2024
|
|
7UEQ
 | | PANK3 complex structure with compound PZ-4061 | | Descriptor: | 1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-[4-(dimethylamino)phenyl]ethan-1-one, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | | Authors: | White, S.W, Yun, M, Lee, R.E. | | Deposit date: | 2022-03-22 | | Release date: | 2023-03-29 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Development of Brain Penetrant Pyridazine Pantothenate Kinase Activators.
J.Med.Chem., 67, 2024
|
|
7BF4
 | | Crystal structure of SARS-CoV-2 macrodomain in complex with GMP | | Descriptor: | 1,2-ETHANEDIOL, GUANOSINE-5'-MONOPHOSPHATE, NSP3 macrodomain | | Authors: | Ni, X, Knapp, S, Chaikuad, A, Structural Genomics Consortium, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-12-31 | | Release date: | 2021-01-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structural Insights into Plasticity and Discovery of Remdesivir Metabolite GS-441524 Binding in SARS-CoV-2 Macrodomain.
Acs Med.Chem.Lett., 12, 2021
|
|
6T3O
 | | Crystal structure of the human myomesin domain 10 | | Descriptor: | AZIDE ION, Myomesin-1 | | Authors: | Duskova, J, Petrokova, H, Maly, P. | | Deposit date: | 2019-10-11 | | Release date: | 2021-03-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Myomedin scaffold variants targeted to 10E8 HIV-1 broadly neutralizing antibody mimic gp41 epitope and elicit HIV-1 virus-neutralizing sera in mice.
Virulence, 12, 2021
|
|
6BEV
 | | Human Single Domain Sulfurtranferase TSTD1 | | Descriptor: | Thiosulfate sulfurtransferase/rhodanese-like domain-containing protein 1 | | Authors: | Motl, N, Akey, D.L, Smith, J.L, Banerjee, R. | | Deposit date: | 2017-10-25 | | Release date: | 2018-01-24 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.043 Å) | | Cite: | Thiosulfate sulfurtransferase-like domain-containing 1 protein interacts with thioredoxin.
J. Biol. Chem., 293, 2018
|
|
