6C8V
| X-ray structure of PqqE from Methylobacterium extorquens | Descriptor: | Coenzyme PQQ synthesis protein E, FE2/S2 (INORGANIC) CLUSTER, IRON/SULFUR CLUSTER | Authors: | Gizzi, A.S, Grove, T.L, Bonanno, J.B, Almo, S.C. | Deposit date: | 2018-01-25 | Release date: | 2018-02-14 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | X-ray and EPR Characterization of the Auxiliary Fe-S Clusters in the Radical SAM Enzyme PqqE. Biochemistry, 57, 2018
|
|
6I8S
| |
6B2P
| Dual Inhibition of the Essential Protein Kinases A and B in Mycobacterium tuberculosis | Descriptor: | 5-{5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl}thiophene-2-sulfonamide, Serine/threonine-protein kinase PknB | Authors: | Zuccola, H.J. | Deposit date: | 2017-09-20 | Release date: | 2018-02-14 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (3.01 Å) | Cite: | Mtb PKNA/PKNB Dual Inhibition Provides Selectivity Advantages for Inhibitor Design To Minimize Host Kinase Interactions. ACS Med Chem Lett, 8, 2017
|
|
6IEQ
| Crystal Structure of HIV-1 Env ConM SOSIP.v7 in Complex with bNAb PGT124 and 35O22 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 35O22 Fab Heavy Chain, ... | Authors: | Han, B.W, Wilson, I.A. | Deposit date: | 2018-09-16 | Release date: | 2019-05-22 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (3.9 Å) | Cite: | Structure and immunogenicity of a stabilized HIV-1 envelope trimer based on a group-M consensus sequence. Nat Commun, 10, 2019
|
|
6B38
| |
6B3G
| |
6BFB
| Crystal structure of a F. nucleatum FMN riboswitch bound to WG-3 | Descriptor: | 5-[(3S,4S)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-6-fluoro-4-methyl-8-oxo-3,4-dihydro-8H-1-thia-4,9b-diazacyclopenta[cd]phenalene-9-carboxylic acid, MAGNESIUM ION, RNA (54-MER), ... | Authors: | Rizvi, N.F, Fischmann, T.O. | Deposit date: | 2017-10-26 | Release date: | 2018-02-21 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.82 Å) | Cite: | Discovery of Selective RNA-Binding Small Molecules by Affinity-Selection Mass Spectrometry. ACS Chem. Biol., 13, 2018
|
|
5NNE
| Crystal Structure of the first bromodomain of human BRD4 in complex with a diacetylated TOP2A peptide (K1201ac/K1204ac) | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, GKA(ALY)GK(ALY)TQMY | Authors: | Filippakopoulos, P, Picaud, S, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C. | Deposit date: | 2017-04-08 | Release date: | 2018-05-16 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Interactome Rewiring Following Pharmacological Targeting of BET Bromodomains. Mol. Cell, 73, 2019
|
|
5NO5
| AbyA5 Wildtype | Descriptor: | AbyA5 | Authors: | Byrne, M.J, Race, P.R. | Deposit date: | 2017-04-10 | Release date: | 2018-05-16 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | An Esterase-like Lyase Catalyzes Acetate Elimination in Spirotetronate/Spirotetramate Biosynthesis. Angew.Chem.Int.Ed.Engl., 58, 2019
|
|
5NQ0
| Porcine (Sus scrofa) Major Histocompatibility Complex, class I, presenting DFEREGYSL | Descriptor: | 1,2-ETHANEDIOL, ASP-PHE-GLU-ARG-GLU-GLY-TYR-SER-LEU, Beta-2-microglobulin, ... | Authors: | Rizkallah, P.J, Tungatt, K, Sewell, A.K. | Deposit date: | 2017-04-19 | Release date: | 2018-04-25 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Induction of influenza-specific local CD8 T-cells in the respiratory tract after aerosol delivery of vaccine antigen or virus in the Babraham inbred pig. Plos Pathog., 14, 2018
|
|
6HCV
| Crystal Structure of Lysyl-tRNA Synthetase from Plasmodium falciparum complexed with a chromone ligand | Descriptor: | 6-fluoranyl-~{N}-[(1-oxidanylcyclohexyl)methyl]-4-oxidanylidene-chromene-2-carboxamide, Lysine--tRNA ligase | Authors: | Robinson, D.A, Baragana, B, Norcross, N, Forte, B, Walpole, C, Gilbert, I.H. | Deposit date: | 2018-08-16 | Release date: | 2019-04-03 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Lysyl-tRNA synthetase as a drug target in malaria and cryptosporidiosis. Proc.Natl.Acad.Sci.USA, 116, 2019
|
|
5LQ3
| |
6HPO
| |
5LS8
| Light-activated ruthenium complex bound to a DNA quadruplex | Descriptor: | DNA (5'-D(*TP*AP*GP*GP*GP*TP*TP*A)-3'), POTASSIUM ION, delta-[Ru(tap2-dppz-CN)]2+, ... | Authors: | McQuaid, K.T, Abell, H, Hall, J.P, Cardin, C.J. | Deposit date: | 2016-08-22 | Release date: | 2018-01-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Structural Studies Reveal Enantiospecific Recognition of a DNA G-Quadruplex by a Ruthenium Polypyridyl Complex. Angew.Chem.Int.Ed.Engl., 58, 2019
|
|
6BQE
| |
5LD8
| |
5NQ3
| 'Porcine (Sus scrofa) Major Histocompatibility Complex, class I, with human beta2 micro globulin, presenting EFEDLTFLA | Descriptor: | 1,2-ETHANEDIOL, Beta-2-microglobulin, GLU-PHE-GLU-ASP-LEU-THR-PHE-LEU-ALA, ... | Authors: | Rizkallah, P.J, Tungatt, K, Sewell, A.K. | Deposit date: | 2017-04-19 | Release date: | 2018-04-25 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Induction of influenza-specific local CD8 T-cells in the respiratory tract after aerosol delivery of vaccine antigen or virus in the Babraham inbred pig. Plos Pathog., 14, 2018
|
|
5NOC
| |
6BD9
| Saccharomyces cerevisiae acetohydroxyacid synthase | Descriptor: | Acetolactate synthase catalytic subunit, mitochondrial, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Guddat, L.W, Lonhienne, T. | Deposit date: | 2017-10-22 | Release date: | 2017-11-08 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.982 Å) | Cite: | High resolution crystal structures of the acetohydroxyacid synthase-pyruvate complex provide new insights into its catalytic mechanism Chemistryselect, 2017
|
|
6B2Q
| Dual Inhibition of the Essential Protein Kinases A and B in Mycobacterium tuberculosis | Descriptor: | 3-methyl-1-(2-methylpropyl)butyl 4-O-beta-L-gulopyranosyl-beta-D-glucopyranoside, 5-{5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl}thiophene-2-sulfonamide, Serine/threonine-protein kinase PknA | Authors: | Zuccola, H.J. | Deposit date: | 2017-09-20 | Release date: | 2018-02-14 | Method: | X-RAY DIFFRACTION (2.88 Å) | Cite: | Mtb PKNA/PKNB Dual Inhibition Provides Selectivity Advantages for Inhibitor Design To Minimize Host Kinase Interactions. ACS Med Chem Lett, 8, 2017
|
|
6B3F
| |
6BFA
| Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1553 | Descriptor: | 1-{4-amino-3-[6-(cyclopropyloxy)naphthalen-2-yl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}-2-methylpropan-2-ol, Calmodulin-domain protein kinase 1 | Authors: | Merritt, E.A. | Deposit date: | 2017-10-26 | Release date: | 2017-12-06 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Development of an Orally Available and Central Nervous System (CNS) Penetrant Toxoplasma gondii Calcium-Dependent Protein Kinase 1 (TgCDPK1) Inhibitor with Minimal Human Ether-a-go-go-Related Gene (hERG) Activity for the Treatment of Toxoplasmosis. J. Med. Chem., 59, 2016
|
|
5NSE
| BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE, H4B-FREE, HYDROXY-ARG COMPLEX | Descriptor: | ACETATE ION, CACODYLIC ACID, GLYCEROL, ... | Authors: | Raman, C.S, Li, H, Martasek, P, Masters, B.S.S, Poulos, T.L. | Deposit date: | 1999-01-13 | Release date: | 2002-05-29 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal Structures of the Heme Domain of Bovine Endothelial Nitric Oxide Synthase Complexed with Arginine Analogues To be Published
|
|
5OCZ
| Free DNA_hairpin polyamides studies | Descriptor: | DNA (5'-D(*CP*GP*AP*TP*GP*TP*AP*CP*AP*TP*CP*G)-3') | Authors: | Padroni, G, Parkinson, J, Burley, G.A. | Deposit date: | 2017-07-04 | Release date: | 2017-12-06 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structural basis of DNA duplex distortion induced by thiazole-containing hairpin polyamides. Nucleic Acids Res., 46, 2018
|
|
6IBQ
| Structure of a nonameric RNA duplex at room temperature in ChipX microfluidic device | Descriptor: | DNA/RNA (5'-R(*CP*GP*UP*GP*AP*UP*CP*G)-D(P*C)-3'), SULFATE ION | Authors: | de Wijn, R, Olieric, V, Lorber, B, Sauter, C. | Deposit date: | 2018-11-30 | Release date: | 2019-05-01 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | A simple and versatile microfluidic device for efficient biomacromolecule crystallization and structural analysis by serial crystallography. Iucrj, 6, 2019
|
|