4W1Y
 
 | |
7YQ5
 | | human insulin receptor bound with A62 DNA aptamer and insulin | | Descriptor: | IR-A62 aptamer, Insulin A chain, Insulin, ... | | Authors: | Kim, J, Yunn, N, Ryu, S, Cho, Y. | | Deposit date: | 2022-08-05 | | Release date: | 2022-11-09 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (4.27 Å) | | Cite: | Functional selectivity of insulin receptor revealed by aptamer-trapped receptor structures.
Nat Commun, 13, 2022
|
|
4W8Q
 | |
6DX1
 | | Crystal structure of the viral OTU domain protease from Qalyub virus | | Descriptor: | RNA-dependent RNA polymerase | | Authors: | Dzimianski, J.V, Beldon, B.S, Daczkowski, C.M, Goodwin, O.Y, Pegan, S.D. | | Deposit date: | 2018-06-28 | | Release date: | 2018-12-19 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.652 Å) | | Cite: | Probing the impact of nairovirus genomic diversity on viral ovarian tumor domain protease (vOTU) structure and deubiquitinase activity.
PLoS Pathog., 15, 2019
|
|
4W8V
 | |
6DEQ
 | | Crystal structure of Candida albicans acetohydroxyacid synthase in complex with the herbicide penoxsulam | | Descriptor: | (3Z)-4-{[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]AMINO}-3-MERCAPTOPENT-3-EN-1-YL TRIHYDROGEN DIPHOSPHATE, 2-(2,2-difluoroethoxy)-N-(5,8-dimethoxy[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide, Acetolactate synthase, ... | | Authors: | Garcia, M.D, Guddat, L.W. | | Deposit date: | 2018-05-12 | | Release date: | 2018-09-26 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.127 Å) | | Cite: | Commercial AHAS-inhibiting herbicides are promising drug leads for the treatment of human fungal pathogenic infections.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
|
|
4W98
 | | Acinetobacter baumannii SDF NDK | | Descriptor: | Nucleoside diphosphate kinase | | Authors: | Hu, Y, Feng, F, Liang, H, Liu, Y. | | Deposit date: | 2014-08-27 | | Release date: | 2015-06-17 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.43 Å) | | Cite: | Structural and Functional Characterization of Acinetobacter baumannii Nucleoside Diphosphate Kinase
Prog.Biochem.Biophys., 42, 2015
|
|
4WA6
 | |
7YZF
 | |
6DFK
 | | Crystal structure of the 11S subunit of the Plasmodium falciparum proteasome, PA28 | | Descriptor: | SULFATE ION, Subunit of proteaseome activator complex,putative | | Authors: | Xie, S.C, Metcalfe, R.D, Gillett, D.L, Tilley, L, Griffin, M.D.W. | | Deposit date: | 2018-05-15 | | Release date: | 2019-08-07 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | The structure of the PA28-20S proteasome complex from Plasmodium falciparum and implications for proteostasis.
Nat Microbiol, 4, 2019
|
|
4V93
 | | Fitted coordinates for Lumbricus terrestris hemoglobin cryo-EM complex (EMD-2627) | | Descriptor: | EXTRACELLULAR GLOBIN-2, EXTRACELLULAR GLOBIN-3, EXTRACELLULAR GLOBIN-4, ... | | Authors: | Chen, W.T, Chen, Y.C, Liou, H.H, Chao, C.Y. | | Deposit date: | 2014-04-16 | | Release date: | 2014-07-09 | | Last modified: | 2019-12-11 | | Method: | ELECTRON MICROSCOPY (8.1 Å) | | Cite: | Structural Basis for Cooperative Oxygen Binding and Bracelet-Assisted Assembly of Lumbricus Terrestris Hemoglobin
To be Published
|
|
6DH3
 | | Crystal structure of HIV-1 Protease NL4-3 V82I Mutant in complex with darunavir | | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, Protease, SULFATE ION | | Authors: | Lockbaum, G.J, Schiffer, C.A. | | Deposit date: | 2018-05-18 | | Release date: | 2018-12-26 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.908 Å) | | Cite: | Structural Adaptation of Darunavir Analogues against Primary Mutations in HIV-1 Protease.
ACS Infect Dis, 5, 2019
|
|
6DJJ
 | | Crystal structure of Tdp1 catalytic domain in complex with compound XZ532 | | Descriptor: | 1,2-ETHANEDIOL, 4-aminobenzene-1,2-dicarboxylic acid, Tyrosyl-DNA phosphodiesterase 1 | | Authors: | Lountos, G.T, Zhao, X.Z, Kiselev, E, Tropea, J.E, Needle, D, Burke Jr, T.R, Pommier, Y, Waugh, D.S. | | Deposit date: | 2018-05-25 | | Release date: | 2019-05-29 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.741 Å) | | Cite: | Identification of a ligand binding hot spot and structural motifs replicating aspects of tyrosyl-DNA phosphodiesterase I (TDP1) phosphoryl recognition by crystallographic fragment cocktail screening.
Nucleic Acids Res., 47, 2019
|
|
7ZFW
 | |
4WD6
 | |
6DK0
 | | Human sigma-1 receptor bound to NE-100 | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, GLYCEROL, N-{2-[4-methoxy-3-(2-phenylethoxy)phenyl]ethyl}-N-propylpropan-1-amine, ... | | Authors: | Schmidt, H.R, Kruse, A.C. | | Deposit date: | 2018-05-28 | | Release date: | 2018-10-17 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structural basis for sigma1receptor ligand recognition.
Nat. Struct. Mol. Biol., 25, 2018
|
|
6DKB
 | | Crystal structure of Trk-A in complex with the Pan-Trk Kinase Inhibitor, compound 10b. | | Descriptor: | 2-{[(3R,4S)-3-fluoro-1-{[4-(trifluoromethoxy)phenyl]acetyl}piperidin-4-yl]oxy}-5-(1-methyl-1H-imidazol-4-yl)pyridine-3-carboxamide, High affinity nerve growth factor receptor | | Authors: | Greasley, S.E, Johnson, E, Kraus, M.L, Cronin, C.N. | | Deposit date: | 2018-05-29 | | Release date: | 2018-07-11 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.68 Å) | | Cite: | Discovery of Potent, Selective, and Peripherally Restricted Pan-Trk Kinase Inhibitors for the Treatment of Pain.
J. Med. Chem., 61, 2018
|
|
7Z55
 | | Crystal Structure of the Ring Nuclease 0455 from Sulfolobus islandicus (Sis0455) in complex with its substrate | | Descriptor: | ACETATE ION, CRISPR-associated protein, Cyclic RNA cA4, ... | | Authors: | Molina, R, Martin-Garcia, R, Lopez-Mendez, B, Jensen, A.L.G, Marchena-Hurtado, J, Stella, S, Montoya, G. | | Deposit date: | 2022-03-08 | | Release date: | 2022-11-23 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.664 Å) | | Cite: | Molecular basis of cyclic tetra-oligoadenylate processing by small standalone CRISPR-Cas ring nucleases.
Nucleic Acids Res., 50, 2022
|
|
6DJA
 | | ZN-DEPENDENT 5/B/6 METALLO-BETA-LACTAMASE FROM BACILLUS CEREUS | | Descriptor: | Metallo-beta-lactamase type 2, ZINC ION | | Authors: | Bui, A.A, Khan, N.H, Shaw, R.W, Sutton, R.B. | | Deposit date: | 2018-05-24 | | Release date: | 2019-05-29 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.48 Å) | | Cite: | A DNA aptamer reveals an allosteric site for inhibition in metallo-beta-lactamases.
Plos One, 14, 2019
|
|
6DKI
 | | Crystal structure of Trk-A in complex with the Pan-Trk Kinase Inhibitor, compound 19. | | Descriptor: | 5-phenylthieno[2,3-d]pyrimidin-4(3H)-one, 6-amino-5-{[(3S)-4,4-difluoro-1-{[4-(trifluoromethoxy)phenyl]acetyl}pyrrolidin-3-yl]oxy}-N-methylpyridine-3-carboxamide, High affinity nerve growth factor receptor | | Authors: | Greasley, S.E, Johnson, E, Kraus, M.L, Cronin, C.N. | | Deposit date: | 2018-05-29 | | Release date: | 2018-07-11 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Discovery of Potent, Selective, and Peripherally Restricted Pan-Trk Kinase Inhibitors for the Treatment of Pain.
J. Med. Chem., 61, 2018
|
|
6DJG
 | | Crystal structure of Tdp1 catalytic domain in complex with compound XZ503 | | Descriptor: | 1,2-ETHANEDIOL, 4-hydroxy-8-sulfoquinoline-3-carboxylic acid, Tyrosyl-DNA phosphodiesterase 1 | | Authors: | Lountos, G.T, Zhao, X.Z, Kiselev, E, Tropea, J.E, Needle, D, Burke Jr, T.R, Pommier, Y, Waugh, D.S. | | Deposit date: | 2018-05-25 | | Release date: | 2019-05-29 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Identification of a ligand binding hot spot and structural motifs replicating aspects of tyrosyl-DNA phosphodiesterase I (TDP1) phosphoryl recognition by crystallographic fragment cocktail screening.
Nucleic Acids Res., 47, 2019
|
|
6DKO
 | | Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 2,6-F-phenyldiketoacid | | Descriptor: | 4-(2,6-difluorophenyl)-2,4-dioxobutanoic acid, MAGNESIUM ION, Malate synthase G | | Authors: | Krieger, I.V, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2018-05-30 | | Release date: | 2018-09-05 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.556 Å) | | Cite: | Anion-pi Interactions in Computer-Aided Drug Design: Modeling the Inhibition of Malate Synthase by Phenyl-Diketo Acids.
J Chem Inf Model, 58, 2018
|
|
6DJZ
 | | Human sigma-1 receptor bound to haloperidol | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one, GLYCEROL, ... | | Authors: | Schmidt, H.R, Kruse, A.C. | | Deposit date: | 2018-05-28 | | Release date: | 2018-10-17 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.084 Å) | | Cite: | Structural basis for sigma1receptor ligand recognition.
Nat. Struct. Mol. Biol., 25, 2018
|
|
6DKT
 | |
6DKG
 | | Crystal structure of Trk-A in complex with the Pan-Trk Kinase Inhibitor, compound 13b. | | Descriptor: | 2-{[(3R,4S)-3-fluoro-1-{[4-(trifluoromethoxy)phenyl]acetyl}piperidin-4-yl]oxy}-4-(2-hydroxy-2-methylpropoxy)benzamide, 5-phenylthieno[2,3-d]pyrimidin-4(3H)-one, High affinity nerve growth factor receptor | | Authors: | Greasley, S.E, Johnson, E, Kraus, M.L, Cronin, C.N. | | Deposit date: | 2018-05-29 | | Release date: | 2018-07-11 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.53 Å) | | Cite: | Discovery of Potent, Selective, and Peripherally Restricted Pan-Trk Kinase Inhibitors for the Treatment of Pain.
J. Med. Chem., 61, 2018
|
|
